smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc(-n2cccc2CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c1 ZINC000019238220 202001808 /nfs/dbraw/zinc/00/18/08/202001808.db2.gz FXUCZOMCLJQTCS-CGTJXYLNSA-N 0 3 326.444 1.820 40 0 EDABHN COc1cc2c(cc1CN1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019285216 202002672 /nfs/dbraw/zinc/00/26/72/202002672.db2.gz DRZKTGXYNUYTAM-LBPRGKRZSA-N 0 3 343.383 1.805 40 0 EDABHN C[C@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497866 202008906 /nfs/dbraw/zinc/00/89/06/202008906.db2.gz VGCPWXJXJIRKQZ-SUMWQHHRSA-N 0 3 338.473 1.917 40 0 EDABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218524637 241328804 /nfs/dbraw/zinc/32/88/04/241328804.db2.gz GPAMHLUBMHNDQF-RCCFBDPRSA-N 0 3 330.453 1.899 40 0 EDABHN c1ncn(C[C@@H]2CC[C@]3(COCCN(Cc4ccccc4)C3)O2)n1 ZINC000253596854 244032898 /nfs/dbraw/zinc/03/28/98/244032898.db2.gz WMPCQOOXUXPMFM-ROUUACIJSA-N 0 3 328.416 1.728 40 0 EDABHN CN1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 ZINC000072391637 203214172 /nfs/dbraw/zinc/21/41/72/203214172.db2.gz XNFAEOAVQPOYRB-LBPRGKRZSA-N 0 3 330.436 1.408 40 0 EDABHN Cn1cccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257256324 244280486 /nfs/dbraw/zinc/28/04/86/244280486.db2.gz KKZJOCTZRZNTSN-HNNXBMFYSA-N 0 3 327.375 1.333 40 0 EDABHN CCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 ZINC000019501900 212033565 /nfs/dbraw/zinc/03/35/65/212033565.db2.gz VPWSQSDNZNKJKK-MRXNPFEDSA-N 0 3 336.484 1.721 40 0 EDABHN Cn1cc(CN2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cn1 ZINC000096207387 203867575 /nfs/dbraw/zinc/86/75/75/203867575.db2.gz ASGVIEUPAIRIMO-BZUAXINKSA-N 0 3 343.431 1.760 40 0 EDABHN CN(C)C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)O1 ZINC000096209113 203869227 /nfs/dbraw/zinc/86/92/27/203869227.db2.gz JFNUWEDUCVJTJX-GOEBONIOSA-N 0 3 339.461 1.346 40 0 EDABHN CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249554 203882626 /nfs/dbraw/zinc/88/26/26/203882626.db2.gz UGFUHAPZPHELPT-IUODEOHRSA-N 0 3 328.409 1.167 40 0 EDABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000257213191 285158647 /nfs/dbraw/zinc/15/86/47/285158647.db2.gz CGNHBUIZYGHONE-AEFFLSMTSA-N 0 3 347.459 1.673 40 0 EDABHN CN1CCC2(C[C@@H](COCC3CC3)N(S(=O)(=O)C3CC3)C2)CC1 ZINC000096219612 289910147 /nfs/dbraw/zinc/91/01/47/289910147.db2.gz IOXDKLAPUAVURY-HNNXBMFYSA-N 0 3 342.505 1.692 40 0 EDABHN NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1F ZINC000257213932 303365493 /nfs/dbraw/zinc/36/54/93/303365493.db2.gz CJTKAKBRSUGCGD-AWEZNQCLSA-N 0 3 329.379 1.877 40 0 EDABHN Cc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019209300 441255773 /nfs/dbraw/zinc/25/57/73/441255773.db2.gz JINIBJGBOGWVJY-MRXNPFEDSA-N 0 3 336.439 1.989 40 0 EDABHN Cc1cc(C)c2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000028641165 441435067 /nfs/dbraw/zinc/43/50/67/441435067.db2.gz LOQRCCKYROIAPO-UHFFFAOYSA-N 0 3 329.444 1.957 40 0 EDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536520 441462008 /nfs/dbraw/zinc/46/20/08/441462008.db2.gz MGADSNVINHDKGA-HOCLYGCPSA-N 0 3 338.402 1.890 40 0 EDABHN COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1 ZINC000038342901 441614604 /nfs/dbraw/zinc/61/46/04/441614604.db2.gz CPBHSHYQQLFAPW-ZWKOTPCHSA-N 0 3 339.407 1.523 40 0 investigational EDABHN CN(C)CCN1CCc2c(nnn2C)[C@H]1COCc1ccccc1 ZINC000096045325 441993877 /nfs/dbraw/zinc/99/38/77/441993877.db2.gz DLMMIFWPYFLURH-QGZVFWFLSA-N 0 3 329.448 1.493 40 0 EDABHN CN(C)C(=O)CN1CCC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096046843 441994838 /nfs/dbraw/zinc/99/48/38/441994838.db2.gz YPNKMBIETDEWBH-UHFFFAOYSA-N 0 3 335.473 1.651 40 0 EDABHN Cn1cc(CN2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cn1 ZINC000096046564 441994992 /nfs/dbraw/zinc/99/49/92/441994992.db2.gz JELITLIDQPSZBK-UHFFFAOYSA-N 0 3 339.443 1.943 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039528 441985859 /nfs/dbraw/zinc/98/58/59/441985859.db2.gz LTYGDNFTKVJDMB-AEFFLSMTSA-N 0 3 336.432 1.869 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCOCC1 ZINC000096057235 442004324 /nfs/dbraw/zinc/00/43/24/442004324.db2.gz MUMUDXPOCUXXQI-KURKYZTESA-N 0 3 345.443 1.025 40 0 EDABHN O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCOCC1 ZINC000096057490 442004856 /nfs/dbraw/zinc/00/48/56/442004856.db2.gz CGNNMAWQMIAQRG-BZUAXINKSA-N 0 3 336.457 1.729 40 0 EDABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)o1 ZINC000096058302 442007171 /nfs/dbraw/zinc/00/71/71/442007171.db2.gz LCVNFUIXFFWQCI-IXDOHACOSA-N 0 3 334.416 1.979 40 0 EDABHN Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)CC[C@@H]3C2)n1 ZINC000096081526 442023186 /nfs/dbraw/zinc/02/31/86/442023186.db2.gz VZNPDHBJNAFWPJ-HZPDHXFCSA-N 0 3 337.427 1.774 40 0 EDABHN NCC(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000079393008 442044501 /nfs/dbraw/zinc/04/45/01/442044501.db2.gz NCIGNJFZICRRNR-UHFFFAOYSA-N 0 3 345.443 1.985 40 0 EDABHN CN(C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@@H]2COC[C@H]12 ZINC000096185002 442058479 /nfs/dbraw/zinc/05/84/79/442058479.db2.gz FANUPJSFAIYKJK-BBWFWOEESA-N 0 3 333.432 1.174 40 0 EDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 ZINC000096186212 442060820 /nfs/dbraw/zinc/06/08/20/442060820.db2.gz OFFBFCJNZMXVLA-HZPDHXFCSA-N 0 3 345.443 1.542 40 0 EDABHN CN(C)CCOC[C@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2nnn(C)c21 ZINC000096198531 442072080 /nfs/dbraw/zinc/07/20/80/442072080.db2.gz GRMMASUGZOYRKB-LSDHHAIUSA-N 0 3 347.463 1.175 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cn1 ZINC000096209911 442085652 /nfs/dbraw/zinc/08/56/52/442085652.db2.gz WLMCZMLOLSBTDU-OAHLLOKOSA-N 0 3 334.420 1.098 40 0 EDABHN Cc1cccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)n1 ZINC000096230284 442097095 /nfs/dbraw/zinc/09/70/95/442097095.db2.gz CQNCZCKAWJOGLF-UHFFFAOYSA-N 0 3 342.487 1.909 40 0 EDABHN CC(C)CN1c2ccccc2[C@@]2(C[C@H]2C(=O)NCCN(C)C)C1=O ZINC000096243465 442100316 /nfs/dbraw/zinc/10/03/16/442100316.db2.gz GBNBIGZWGQKBBX-HNAYVOBHSA-N 0 3 329.444 1.625 40 0 EDABHN Cc1cnc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257292071 443133708 /nfs/dbraw/zinc/13/37/08/443133708.db2.gz QJVPLYIIHSEYNI-QGZVFWFLSA-N 0 3 341.415 1.768 40 0 EDABHN CC(C)N1CCN(CC(=O)N2CCNC[C@@H]2c2ccccc2)CC1 ZINC000257297224 443135400 /nfs/dbraw/zinc/13/54/00/443135400.db2.gz RGKCGMXCJPTADT-GOSISDBHSA-N 0 3 330.476 1.186 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCC[C@@H](c3cncc(C)n3)C2)CC1 ZINC000257315523 443144396 /nfs/dbraw/zinc/14/43/96/443144396.db2.gz VBUNHXZABUZQJX-MRXNPFEDSA-N 0 3 332.448 1.338 40 0 EDABHN O=C(CN1CCCC1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257323232 443146660 /nfs/dbraw/zinc/14/66/60/443146660.db2.gz WJGJXEGIJSPBBS-FQEVSTJZSA-N 0 3 343.471 1.104 40 0 EDABHN Nc1nc2c(c(N)n1)C[C@@]1(CCCN(Cc3cccc(O)c3)CC1)O2 ZINC000257211060 443124758 /nfs/dbraw/zinc/12/47/58/443124758.db2.gz BXIXYDPKHHAVCR-SFHVURJKSA-N 0 3 341.415 1.706 40 0 EDABHN COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)CN)n2)cc1 ZINC000257285664 443131083 /nfs/dbraw/zinc/13/10/83/443131083.db2.gz PIEBIZMQIMREOZ-OAHLLOKOSA-N 0 3 328.372 1.900 40 0 EDABHN Cc1csc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CN)C3)n2)n1 ZINC000257328603 443150044 /nfs/dbraw/zinc/15/00/44/443150044.db2.gz XGKFCMMOZDTLJV-LLVKDONJSA-N 0 3 332.433 1.568 40 0 EDABHN CNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)n1 ZINC000329039673 444454300 /nfs/dbraw/zinc/45/43/00/444454300.db2.gz RYPGNNSORINPIU-UHFFFAOYSA-N 0 3 333.417 1.037 40 0 EDABHN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019333194 202004467 /nfs/dbraw/zinc/00/44/67/202004467.db2.gz SNNREJJWLQNWTF-AWEZNQCLSA-N 0 3 340.402 1.820 40 0 EDABHN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019706372 202016803 /nfs/dbraw/zinc/01/68/03/202016803.db2.gz YCFIVRHRCQUIOP-HNNXBMFYSA-N 0 3 343.406 1.469 40 0 EDABHN Cc1ccc2c(CC(=O)N3CCN(C)C[C@H](C(N)=O)C3)coc2c1 ZINC000257214404 244159658 /nfs/dbraw/zinc/15/96/58/244159658.db2.gz CLVWOGCJKAINRL-AWEZNQCLSA-N 0 3 329.400 1.159 40 0 EDABHN CNCC(=O)N1CCC(c2cccc(CCC(=O)N(C)C)n2)CC1 ZINC000072367001 203207132 /nfs/dbraw/zinc/20/71/32/203207132.db2.gz BUPUKUHTFRMWNK-UHFFFAOYSA-N 0 3 332.448 1.028 40 0 EDABHN Nc1ncnc2c1ncn2[C@H]1CCN(Cc2ccsc2)CC[C@@H]1O ZINC000257247174 244261408 /nfs/dbraw/zinc/26/14/08/244261408.db2.gz IXULEUJFBIQHBZ-STQMWFEESA-N 0 3 344.444 1.668 40 0 EDABHN CNC(=O)c1cccc([C@H]2CN(C3CCN(C)CC3)CCN2C)c1 ZINC000257254015 244275415 /nfs/dbraw/zinc/27/54/15/244275415.db2.gz KBGABUOGFVBGJK-GOSISDBHSA-N 0 3 330.476 1.429 40 0 EDABHN Cc1cc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)nc(C)n1 ZINC000257258729 244290301 /nfs/dbraw/zinc/29/03/01/244290301.db2.gz KVGFORNEBUREQZ-KRWDZBQOSA-N 0 3 332.448 1.868 40 0 EDABHN Cn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525876 204265598 /nfs/dbraw/zinc/26/55/98/204265598.db2.gz NDIOSXSUMRLJBH-FUHWJXTLSA-N 0 3 332.448 1.271 40 0 EDABHN Cc1ncc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)[nH]1 ZINC000108536057 204267630 /nfs/dbraw/zinc/26/76/30/204267630.db2.gz ZLYZKYQNARLUFD-ROUUACIJSA-N 0 3 327.432 1.588 40 0 EDABHN CN(CC(N)=O)C[C@@H]1CN([C@@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000276270836 273157193 /nfs/dbraw/zinc/15/71/93/273157193.db2.gz QULCQCPWLNULGV-GGPKGHCWSA-N 0 3 345.487 1.615 40 0 EDABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)C(F)(F)F)CC2 ZINC000257199989 277305432 /nfs/dbraw/zinc/30/54/32/277305432.db2.gz ABOBYGVAIMNPQT-JTQLQIEISA-N 0 3 329.326 1.390 40 0 EDABHN CCN(CC)CC1OCC2(CO1)COC(CN(CC)CC)OC2 ZINC000003182245 279092742 /nfs/dbraw/zinc/09/27/42/279092742.db2.gz QWZDMYKHLKVBHH-UHFFFAOYSA-N 0 3 330.469 1.402 40 0 EDABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000015674093 441207780 /nfs/dbraw/zinc/20/77/80/441207780.db2.gz KJRNBPNXZGATER-CVEARBPZSA-N 0 3 328.416 1.939 40 0 biogenic,in-vitro EDABHN Cc1ccccc1C(=O)N1CCO[C@H]2[C@H](OCCN(C)C)CC[C@@H]21 ZINC000096041493 441988596 /nfs/dbraw/zinc/98/85/96/441988596.db2.gz MMRYWAUVPLSRLK-RCCFBDPRSA-N 0 3 332.444 1.945 40 0 EDABHN Cc1occc1C(=O)N1Cc2nnn(C)c2[C@@H](COCCN(C)C)C1 ZINC000096060679 442008653 /nfs/dbraw/zinc/00/86/53/442008653.db2.gz JHGIWFTWCJBGEN-CYBMUJFWSA-N 0 3 347.419 1.034 40 0 EDABHN COc1cccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108281 442031497 /nfs/dbraw/zinc/03/14/97/442031497.db2.gz WTGOZQVXFUKBHC-MJGOQNOKSA-N 0 3 332.444 1.476 40 0 EDABHN COc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000096108275 442032295 /nfs/dbraw/zinc/03/22/95/442032295.db2.gz FVKBXKNGTIOPFV-MJGOQNOKSA-N 0 3 332.444 1.476 40 0 EDABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]21 ZINC000096185624 442059278 /nfs/dbraw/zinc/05/92/78/442059278.db2.gz XJSRAUADKBTEGS-RDBSUJKOSA-N 0 3 331.445 1.575 40 0 EDABHN C[C@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 ZINC000096201534 442076146 /nfs/dbraw/zinc/07/61/46/442076146.db2.gz APNDJRRRQDZEEG-CQSZACIVSA-N 0 3 349.431 1.063 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)s1 ZINC000248101052 442881532 /nfs/dbraw/zinc/88/15/32/442881532.db2.gz NVARQQDMHSMAOX-MRVWCRGKSA-N 0 3 330.475 1.053 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257319647 443145036 /nfs/dbraw/zinc/14/50/36/443145036.db2.gz VTLVJUISKWCEPA-CYBMUJFWSA-N 0 3 349.460 1.368 40 0 EDABHN CC(=O)N[C@@H]1CO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@@H]2C[C@@]1(C)O ZINC000257279132 443126637 /nfs/dbraw/zinc/12/66/37/443126637.db2.gz OFDIMMMGNHCNLG-MTQWCTHYSA-N 0 3 346.471 1.862 40 0 EDABHN O=C(N[C@@H]1CCOC[C@]12CCN(Cc1ccccn1)C2)N1CCCC1 ZINC000306135692 444286729 /nfs/dbraw/zinc/28/67/29/444286729.db2.gz OXXQELVUKWZOGS-IEBWSBKVSA-N 0 3 344.459 1.868 40 0 EDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]21 ZINC000306139010 444287113 /nfs/dbraw/zinc/28/71/13/444287113.db2.gz SNDKCIVLSRPLSL-DZGCQCFKSA-N 0 3 342.399 1.027 40 0 EDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306136999 444287289 /nfs/dbraw/zinc/28/72/89/444287289.db2.gz QIRYGLIEDUFPOH-UHFFFAOYSA-N 0 3 340.431 1.261 40 0 EDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(C2CC2)n1 ZINC000328983291 444433227 /nfs/dbraw/zinc/43/32/27/444433227.db2.gz HGACAMIPUKHOGC-UHFFFAOYSA-N 0 3 340.431 1.006 40 0 EDABHN CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100731 448685386 /nfs/dbraw/zinc/68/53/86/448685386.db2.gz UXAXLPUBSLEUFS-GOEBONIOSA-N 0 3 330.494 1.677 40 0 EDABHN Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C ZINC000585096701 448679760 /nfs/dbraw/zinc/67/97/60/448679760.db2.gz ASDRFSCWLGDQGU-MRXNPFEDSA-N 0 3 342.443 1.933 40 0 EDABHN CNC(=O)[C@]1(C)CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585284940 448731798 /nfs/dbraw/zinc/73/17/98/448731798.db2.gz KJYKLIFYJKNCGA-YSIASYRMSA-N 0 3 346.471 1.912 40 0 EDABHN C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1 ZINC000019456457 202008820 /nfs/dbraw/zinc/00/88/20/202008820.db2.gz HLQBKKIAFJWDAP-NSHDSACASA-N 0 3 344.381 1.991 40 0 EDABHN COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575860 202013671 /nfs/dbraw/zinc/01/36/71/202013671.db2.gz YSLQVUOJLZKJEI-AEGPPILISA-N 0 3 336.432 1.352 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218585196 241332180 /nfs/dbraw/zinc/33/21/80/241332180.db2.gz MPSWWIWTYUUGEJ-KCQAQPDRSA-N 0 3 329.393 1.234 40 0 EDABHN NC[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574378 241332810 /nfs/dbraw/zinc/33/28/10/241332810.db2.gz AMPDDUOBEOSGMI-OWCLPIDISA-N 0 3 336.844 1.936 40 0 EDABHN Cc1ccc(C(=O)NCCN(C)C)c(I)c1 ZINC000225026274 241788300 /nfs/dbraw/zinc/78/83/00/241788300.db2.gz LMCMXWYQODMXQC-UHFFFAOYSA-N 0 3 332.185 1.891 40 0 EDABHN CC(C)C(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)CC[C@@H]1O ZINC000257205933 244134331 /nfs/dbraw/zinc/13/43/31/244134331.db2.gz BBCMJJYUKYVMJP-IRXDYDNUSA-N 0 3 338.423 1.802 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257223523 244190929 /nfs/dbraw/zinc/19/09/29/244190929.db2.gz DXSXBUSZBWHVLA-KRWDZBQOSA-N 0 3 326.400 1.900 40 0 EDABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CN)C3)n2)n1 ZINC000072382985 203210696 /nfs/dbraw/zinc/21/06/96/203210696.db2.gz OZKYMRZHWPTNJX-CYBMUJFWSA-N 0 3 326.404 1.507 40 0 EDABHN COCCNc1ccc(C[C@H]2CCCN(Cc3cnn(C)c3)C2)nn1 ZINC000072387331 203212537 /nfs/dbraw/zinc/21/25/37/203212537.db2.gz HSQGLELZJUBWND-OAHLLOKOSA-N 0 3 344.463 1.723 40 0 EDABHN CN1CCCC[C@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 ZINC000072367360 203208099 /nfs/dbraw/zinc/20/80/99/203208099.db2.gz XPCGEJMDLZDZKK-GOSISDBHSA-N 0 3 347.463 1.095 40 0 EDABHN CN(C)C(=O)[C@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257270769 244375938 /nfs/dbraw/zinc/37/59/38/244375938.db2.gz MVPACKHUWOIGBO-KRWDZBQOSA-N 0 3 329.444 1.414 40 0 EDABHN Cc1cccc(CN2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 ZINC000107254597 204230395 /nfs/dbraw/zinc/23/03/95/204230395.db2.gz SBLOFDLAPSCSAR-YOEHRIQHSA-N 0 3 325.416 1.608 40 0 EDABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108524424 204266340 /nfs/dbraw/zinc/26/63/40/204266340.db2.gz RPWQAUBGYUDRMD-UHFFFAOYSA-N 0 3 339.443 1.908 40 0 EDABHN CN1CCN(CCNc2cc(C3CC3)nc(NC3CCCC3)n2)CC1 ZINC000328981247 257908102 /nfs/dbraw/zinc/90/81/02/257908102.db2.gz GTPLOAVUBHJLHN-UHFFFAOYSA-N 0 3 344.507 1.212 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257282126 280537151 /nfs/dbraw/zinc/53/71/51/280537151.db2.gz OSKHJDMGSPUVKY-KRWDZBQOSA-N 0 3 332.448 1.452 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 ZINC000096056397 442003537 /nfs/dbraw/zinc/00/35/37/442003537.db2.gz WDINDWQBAADGLD-BZUAXINKSA-N 0 3 338.473 1.975 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 ZINC000096058291 442006615 /nfs/dbraw/zinc/00/66/15/442006615.db2.gz ZLUSDXIQPMCJJO-IXDOHACOSA-N 0 3 348.447 1.201 40 0 EDABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccsc1)CC2 ZINC000096058865 442007230 /nfs/dbraw/zinc/00/72/30/442007230.db2.gz ZHDFBSMYGKMQJE-UHFFFAOYSA-N 0 3 335.477 1.476 40 0 EDABHN Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)o1 ZINC000096060664 442008325 /nfs/dbraw/zinc/00/83/25/442008325.db2.gz QYZOYNUXRLBMRS-AWEZNQCLSA-N 0 3 333.436 1.394 40 0 EDABHN CN1CCN(C[C@@H]2OC[C@H]3CN(Cc4cccc(F)c4)CC[C@@H]23)CC1 ZINC000096185271 442059386 /nfs/dbraw/zinc/05/93/86/442059386.db2.gz XTGKNDUGFSTZCB-RLLQIKCJSA-N 0 3 347.478 1.910 40 0 EDABHN C[C@H]1N(CCN(C)C)C(=O)COC12CCN(Cc1ccccn1)CC2 ZINC000096201530 442076210 /nfs/dbraw/zinc/07/62/10/442076210.db2.gz JOVQPDFCMFOWMR-MRXNPFEDSA-N 0 3 346.475 1.225 40 0 EDABHN COCCN1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@@H]2C ZINC000096201616 442076640 /nfs/dbraw/zinc/07/66/40/442076640.db2.gz XUDZMDYWTYSVLE-MRXNPFEDSA-N 0 3 347.459 1.618 40 0 EDABHN COCCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202187 442077545 /nfs/dbraw/zinc/07/75/45/442077545.db2.gz FZTABOIGWOPOTB-KRWDZBQOSA-N 0 3 338.473 1.836 40 0 EDABHN CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1 ZINC000096208354 442083969 /nfs/dbraw/zinc/08/39/69/442083969.db2.gz VROXISMHOMLJKR-HZPDHXFCSA-N 0 3 339.461 1.144 40 0 EDABHN CCC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261688 442108564 /nfs/dbraw/zinc/10/85/64/442108564.db2.gz RCGCIAKGJJXUTI-ZRGWGRIASA-N 0 3 348.491 1.462 40 0 EDABHN CN(C)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248089671 442881396 /nfs/dbraw/zinc/88/13/96/442881396.db2.gz FDSWCURSPVLCOB-HNNXBMFYSA-N 0 3 342.399 1.299 40 0 EDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NCc1cccnc1 ZINC000257289173 443132505 /nfs/dbraw/zinc/13/25/05/443132505.db2.gz PXIIUPNRQXSYFU-YRXWBPOGSA-N 0 3 327.428 1.682 40 0 EDABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)C1(c2ccccc2)CCCC1 ZINC000257299860 443137323 /nfs/dbraw/zinc/13/73/23/443137323.db2.gz RRYRGPWMMUVRAY-CVEARBPZSA-N 0 3 329.444 1.291 40 0 EDABHN CNC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)C2)ncn1 ZINC000257306008 443139504 /nfs/dbraw/zinc/13/95/04/443139504.db2.gz SSMMWMGLXQTPBE-AWEZNQCLSA-N 0 3 325.416 1.686 40 0 EDABHN Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCCC3)C2)c1 ZINC000585287261 485898487 /nfs/dbraw/zinc/89/84/87/485898487.db2.gz LQYSZOCHNDGURV-IBGZPJMESA-N 0 3 335.444 1.742 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218580059 486154978 /nfs/dbraw/zinc/15/49/78/486154978.db2.gz PACMMUHJVBRHGH-KCQAQPDRSA-N 0 3 329.393 1.234 40 0 EDABHN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292204 202003175 /nfs/dbraw/zinc/00/31/75/202003175.db2.gz BCASGFXUQBYAPV-OAHLLOKOSA-N 0 3 339.399 1.965 40 0 EDABHN Cn1cc(CN[C@@H]2[C@@H](c3cccnc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000077261947 202391836 /nfs/dbraw/zinc/39/18/36/202391836.db2.gz MVWSVZGMVQFQNG-VBSBHUPXSA-N 0 3 337.423 1.941 40 0 biogenic,in-vitro EDABHN NC[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218500230 241327016 /nfs/dbraw/zinc/32/70/16/241327016.db2.gz FFTOTBKRELNJLK-IKGGRYGDSA-N 0 3 335.400 1.703 40 0 EDABHN NC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574618 241332368 /nfs/dbraw/zinc/33/23/68/241332368.db2.gz AMPDDUOBEOSGMI-JYJNAYRXSA-N 0 3 336.844 1.936 40 0 EDABHN O=C(c1cncnc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257203870 244126876 /nfs/dbraw/zinc/12/68/76/244126876.db2.gz ARZMZZAVXAOFTF-LJQANCHMSA-N 0 3 338.411 1.112 40 0 EDABHN CNc1cc(C)nc([C@H]2CN(C(=O)COc3cccnc3)CCO2)c1 ZINC000257220748 244185440 /nfs/dbraw/zinc/18/54/40/244185440.db2.gz DLZHQRYFSQHBFG-QGZVFWFLSA-N 0 3 342.399 1.806 40 0 EDABHN CNCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ccccn2)n1 ZINC000072363277 203205840 /nfs/dbraw/zinc/20/58/40/203205840.db2.gz KSYGBHLTFHJJQP-CYBMUJFWSA-N 0 3 326.404 1.807 40 0 EDABHN CN1CCC[C@H](c2cnc(CCC(=O)NC3CCOCC3)cn2)C1 ZINC000072366865 203208106 /nfs/dbraw/zinc/20/81/06/203208106.db2.gz SRBXUBMIGJAWFM-AWEZNQCLSA-N 0 3 332.448 1.514 40 0 EDABHN O=C(c1cnccn1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257262531 244351425 /nfs/dbraw/zinc/35/14/25/244351425.db2.gz LLUCKGVVNGQPOW-IBGZPJMESA-N 0 3 338.411 1.112 40 0 EDABHN Cc1ncoc1C(=O)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 ZINC000096107593 203835051 /nfs/dbraw/zinc/83/50/51/203835051.db2.gz XFQFOLBZNQMFDV-YJBOKZPZSA-N 0 3 349.431 1.469 40 0 EDABHN Fc1cnc(N2CC[C@@H]3OCCN(CCN4CCCC4)[C@H]3CC2)nc1 ZINC000096249356 203881929 /nfs/dbraw/zinc/88/19/29/203881929.db2.gz YAZTWEUJWQSCIZ-IRXDYDNUSA-N 0 3 349.454 1.381 40 0 EDABHN O=C(NC1CC1)[C@@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 ZINC000107710927 204246057 /nfs/dbraw/zinc/24/60/57/204246057.db2.gz NJPVUTPDOFOTOT-BHIYHBOVSA-N 0 3 344.455 1.961 40 0 EDABHN Cc1ncc(CN2C[C@H](C(=O)NCc3cccnc3)[C@H]3OCC[C@H]32)[nH]1 ZINC000108528199 204266137 /nfs/dbraw/zinc/26/61/37/204266137.db2.gz VXAUHYBTKSPLMG-GVDBMIGSSA-N 0 3 341.415 1.019 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079413142 280272278 /nfs/dbraw/zinc/27/22/78/280272278.db2.gz AKKLOIKWYLJFON-CVEARBPZSA-N 0 3 333.432 1.887 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(CN)CN)cc1 ZINC000218450495 280933402 /nfs/dbraw/zinc/93/34/02/280933402.db2.gz UEQTWIRZQVPUCK-DLBZAZTESA-N 0 3 348.443 1.978 40 0 EDABHN Cc1cc(C)cc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000013673624 441163408 /nfs/dbraw/zinc/16/34/08/441163408.db2.gz GGDREPWGEBJEPS-CQSZACIVSA-N 0 3 341.477 1.136 40 0 EDABHN O=C([C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CCOCC1 ZINC000108526282 441458801 /nfs/dbraw/zinc/45/88/01/441458801.db2.gz HZNYWWJHQOOTIH-PKOBYXMFSA-N 0 3 329.444 1.933 40 0 EDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCCO1 ZINC000096038638 441985601 /nfs/dbraw/zinc/98/56/01/441985601.db2.gz YGDBDBAUFDAUJF-BRWVUGGUSA-N 0 3 331.416 1.330 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCCCO1 ZINC000096057285 442004939 /nfs/dbraw/zinc/00/49/39/442004939.db2.gz YPWSFWAJEOPPKS-INMHGKMJSA-N 0 3 334.416 1.918 40 0 EDABHN c1ccc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)nc1 ZINC000096057934 442006758 /nfs/dbraw/zinc/00/67/58/442006758.db2.gz JRQZWEWCIWNVSZ-IPMKNSEASA-N 0 3 331.460 1.926 40 0 EDABHN Cn1cc(N2CC[C@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1 ZINC000096074092 442020321 /nfs/dbraw/zinc/02/03/21/442020321.db2.gz UFQBNENLFIZBLK-SFHVURJKSA-N 0 3 325.416 1.834 40 0 EDABHN COCCN1C[C@@H]2C[N@H+](Cc3cccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185168 442059942 /nfs/dbraw/zinc/05/99/42/442059942.db2.gz WTHJPVJGYQDMMW-YOEHRIQHSA-N 0 3 338.473 1.993 40 0 EDABHN COCCN1C[C@@H]2C[N@@H+](Cc3cccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185168 442059946 /nfs/dbraw/zinc/05/99/46/442059946.db2.gz WTHJPVJGYQDMMW-YOEHRIQHSA-N 0 3 338.473 1.993 40 0 EDABHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200913 442075207 /nfs/dbraw/zinc/07/52/07/442075207.db2.gz VUBLEQPEUZTHML-SJORKVTESA-N 0 3 327.432 1.511 40 0 EDABHN COCCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228781 442095862 /nfs/dbraw/zinc/09/58/62/442095862.db2.gz FJHQJJFXCSKMDO-FQEVSTJZSA-N 0 3 346.471 1.817 40 0 EDABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2 ZINC000096217756 442089095 /nfs/dbraw/zinc/08/90/95/442089095.db2.gz NPTHDVUEJCLEEN-IBGZPJMESA-N 0 3 333.476 1.888 40 0 EDABHN Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)cn1 ZINC000096248719 442102272 /nfs/dbraw/zinc/10/22/72/442102272.db2.gz CUXGDSBEINZXHO-MSOLQXFVSA-N 0 3 344.459 1.011 40 0 EDABHN CN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000257321895 443146870 /nfs/dbraw/zinc/14/68/70/443146870.db2.gz WDSQOUYHJFPQIE-SFHVURJKSA-N 0 3 345.491 1.414 40 0 EDABHN O=C(c1ccncc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257228551 443125429 /nfs/dbraw/zinc/12/54/29/443125429.db2.gz FUGMFEDEKBVYLK-OAHLLOKOSA-N 0 3 325.359 1.390 40 0 EDABHN O=S(=O)(NC[C@@H]1CO[C@@H]2CN(CC3CC3)C[C@H]12)c1ccccc1 ZINC000245482586 443231391 /nfs/dbraw/zinc/23/13/91/443231391.db2.gz RVUDWODJNVETRS-DJIMGWMZSA-N 0 3 336.457 1.322 40 0 EDABHN CN1C[C@@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093818 448675630 /nfs/dbraw/zinc/67/56/30/448675630.db2.gz HOOAWFIUEDXYEO-INIZCTEOSA-N 0 3 327.432 1.528 40 0 EDABHN COc1ccc2cc(CN(C)C[C@@H]3COC[C@@H](O)[C@H]3O)ccc2c1 ZINC000585290829 448736126 /nfs/dbraw/zinc/73/61/26/448736126.db2.gz HCCGZRFSPUADLC-QRQLOZEOSA-N 0 3 331.412 1.648 40 0 EDABHN CCn1cc(CN2CC[C@@H]3[C@H](C2)CCCC(=O)N3CCOC)cn1 ZINC000257245435 536057547 /nfs/dbraw/zinc/05/75/47/536057547.db2.gz IPMNGENXQGWQNI-DLBZAZTESA-N 0 3 334.464 1.752 40 0 EDABHN C[C@H](c1cc(=O)[n-]c(N(C)CC[NH+](C)C)n1)n1cnc2ccccc21 ZINC000019458300 202008768 /nfs/dbraw/zinc/00/87/68/202008768.db2.gz TZFFEMQMVYNUAM-CYBMUJFWSA-N 0 3 340.431 1.727 40 0 EDABHN CC(C)CN1CCN2[C@@H](C1)CN(Cc1ccccc1)C[C@@]2(C)CO ZINC000253398475 201186876 /nfs/dbraw/zinc/18/68/76/201186876.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 0 3 331.504 1.895 40 0 biogenic,in-vitro EDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2csc(C)n2)c1 ZINC000257201456 244121441 /nfs/dbraw/zinc/12/14/41/244121441.db2.gz AHUOEXNPZKGWLU-MRXNPFEDSA-N 0 3 330.457 1.958 40 0 EDABHN COCC(=O)N1CC2(C[C@]1(C)CO)CCN(Cc1ccccc1)CC2 ZINC000257209475 244147818 /nfs/dbraw/zinc/14/78/18/244147818.db2.gz BQNIFEBPANOVQF-LJQANCHMSA-N 0 3 346.471 1.899 40 0 EDABHN CC(=O)N1CCC[C@](O)(CN2CCC(c3nc(C)no3)CC2)CC1 ZINC000072367444 203207170 /nfs/dbraw/zinc/20/71/70/203207170.db2.gz CYIXQUJGGCGUNN-QGZVFWFLSA-N 0 3 336.436 1.321 40 0 EDABHN c1ccc(-c2cc(CNCCN3CCOCC3)c3nnnn3c2)cc1 ZINC000072392313 203214047 /nfs/dbraw/zinc/21/40/47/203214047.db2.gz DEMZATDPHDRTHL-UHFFFAOYSA-N 0 3 338.415 1.213 40 0 EDABHN Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257253318 244275635 /nfs/dbraw/zinc/27/56/35/244275635.db2.gz JYKRSUHAJJDWCJ-MRXNPFEDSA-N 0 3 345.403 1.290 40 0 EDABHN COc1ccc(C(=O)NCc2c[nH]c([C@@H]3CCN(C)C3)n2)cc1F ZINC000257257231 244285024 /nfs/dbraw/zinc/28/50/24/244285024.db2.gz KOQWYWCUSGKDGM-GFCCVEGCSA-N 0 3 332.379 1.907 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccn2)cc(-c2ccncc2)n1 ZINC000329003409 257906861 /nfs/dbraw/zinc/90/68/61/257906861.db2.gz KMROXUHUQDZXCB-UHFFFAOYSA-N 0 3 349.442 1.363 40 0 EDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 ZINC000306125471 257917837 /nfs/dbraw/zinc/91/78/37/257917837.db2.gz CSBXZYNJDVZDME-RDTXWAMCSA-N 0 3 349.431 1.504 40 0 EDABHN CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)C(F)(F)F)CC2 ZINC000257199990 277305545 /nfs/dbraw/zinc/30/55/45/277305545.db2.gz ABOBYGVAIMNPQT-SNVBAGLBSA-N 0 3 329.326 1.390 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218203698 280028983 /nfs/dbraw/zinc/02/89/83/280028983.db2.gz ABGLCWRBJCVMQR-RYUDHWBXSA-N 0 3 347.278 1.253 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)C2(CN)CN)cc1 ZINC000218047158 280933420 /nfs/dbraw/zinc/93/34/20/280933420.db2.gz PDCYAMKYUIFTQG-DLBZAZTESA-N 0 3 330.453 1.839 40 0 EDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000019576024 441258397 /nfs/dbraw/zinc/25/83/97/441258397.db2.gz MRBIULBTMNMENR-USXIJHARSA-N 0 3 331.464 1.106 40 0 EDABHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 ZINC000096043036 441991322 /nfs/dbraw/zinc/99/13/22/441991322.db2.gz OXCRJYYMPCOIAC-RYQLBKOJSA-N 0 3 329.444 1.929 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cn1 ZINC000096043299 441991676 /nfs/dbraw/zinc/99/16/76/441991676.db2.gz PMRNPGAMLFFSGX-IXDOHACOSA-N 0 3 332.448 1.173 40 0 EDABHN CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096038674 441985848 /nfs/dbraw/zinc/98/58/48/441985848.db2.gz LMKOTHHDTKZKNA-IEBWSBKVSA-N 0 3 346.427 1.921 40 0 EDABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096057189 442005032 /nfs/dbraw/zinc/00/50/32/442005032.db2.gz CIARGCGYYQPDAN-OAGGEKHMSA-N 0 3 338.473 1.595 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCC1 ZINC000096057214 442004734 /nfs/dbraw/zinc/00/47/34/442004734.db2.gz DURSQUHEQPZVHR-KURKYZTESA-N 0 3 329.444 1.789 40 0 EDABHN CN(C)C(=O)Cn1cc2c(n1)[C@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059730 442007673 /nfs/dbraw/zinc/00/76/73/442007673.db2.gz YBFIWKLDRQHYRH-INIZCTEOSA-N 0 3 346.406 1.514 40 0 EDABHN c1cnc(NCc2cncc3c2CCN(C[C@H]2CCOC2)C3)nc1 ZINC000096067446 442016296 /nfs/dbraw/zinc/01/62/96/442016296.db2.gz KAEWLTBXFFLALA-CQSZACIVSA-N 0 3 325.416 1.878 40 0 EDABHN Cc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2 ZINC000096108486 442033290 /nfs/dbraw/zinc/03/32/90/442033290.db2.gz LAQJEVPVWITPET-APWZRJJASA-N 0 3 341.411 1.861 40 0 EDABHN O=C(COc1ccccc1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096220082 442092159 /nfs/dbraw/zinc/09/21/59/442092159.db2.gz GDDXQURQSFCFMP-FUHWJXTLSA-N 0 3 330.428 1.635 40 0 EDABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393239 442044408 /nfs/dbraw/zinc/04/44/08/442044408.db2.gz LPRTVGCQHOXMGS-HOTGVXAUSA-N 0 3 333.432 1.745 40 0 EDABHN Cc1ccsc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC000096185625 442059295 /nfs/dbraw/zinc/05/92/95/442059295.db2.gz DPFGIIDGOJUJGU-ILXRZTDVSA-N 0 3 345.472 1.883 40 0 EDABHN O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096208864 442084224 /nfs/dbraw/zinc/08/42/24/442084224.db2.gz KBDUVTHDXFEVRO-FUHWJXTLSA-N 0 3 332.419 1.937 40 0 EDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218095224 443058074 /nfs/dbraw/zinc/05/80/74/443058074.db2.gz KSJLTGNDNCCQGM-IAGOWNOFSA-N 0 3 346.452 1.539 40 0 EDABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 ZINC000257290535 443133465 /nfs/dbraw/zinc/13/34/65/443133465.db2.gz QDISTQUFOXHAHQ-QGZVFWFLSA-N 0 3 343.431 1.927 40 0 EDABHN CN1CCN(c2ncc3c(n2)CC[C@H](NCc2nccs2)C3)CC1 ZINC000306130983 444286357 /nfs/dbraw/zinc/28/63/57/444286357.db2.gz JUATWALSFWFUHT-AWEZNQCLSA-N 0 3 344.488 1.332 40 0 EDABHN CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2CN(Cc3cccs3)C[C@@H]21 ZINC000306138450 444287123 /nfs/dbraw/zinc/28/71/23/444287123.db2.gz RXSNBASTOSGVNY-OIISXLGYSA-N 0 3 348.516 1.027 40 0 EDABHN CN(C)CCNc1nc(NCCc2ccccn2)cc(C2CC2)n1 ZINC000328994423 444437547 /nfs/dbraw/zinc/43/75/47/444437547.db2.gz JDLYFKQACIELST-UHFFFAOYSA-N 0 3 326.448 1.221 40 0 EDABHN CC(C)CN1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289462 448159784 /nfs/dbraw/zinc/15/97/84/448159784.db2.gz LKPOSCOSDYEXHG-ZWKOTPCHSA-N 0 3 330.476 1.043 40 0 biogenic,in-vitro EDABHN CN1C[C@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093857 448675485 /nfs/dbraw/zinc/67/54/85/448675485.db2.gz KCYUKIRVGDHIQI-OAHLLOKOSA-N 0 3 327.432 1.528 40 0 EDABHN O=C(c1cncs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257200711 244119194 /nfs/dbraw/zinc/11/91/94/244119194.db2.gz AEOWMTXQBMRWSZ-CYBMUJFWSA-N 0 3 331.388 1.451 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1 ZINC000257238076 244236310 /nfs/dbraw/zinc/23/63/10/244236310.db2.gz HJLYYWOBMRKICX-INIZCTEOSA-N 0 3 327.388 1.460 40 0 EDABHN Cc1cc(CC[C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)ncn1 ZINC000257255983 244280604 /nfs/dbraw/zinc/28/06/04/244280604.db2.gz KJQQXMIUVRAKEX-SFHVURJKSA-N 0 3 346.475 1.819 40 0 EDABHN Cc1cc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)nc(C)n1 ZINC000257258730 244291554 /nfs/dbraw/zinc/29/15/54/244291554.db2.gz KVGFORNEBUREQZ-QGZVFWFLSA-N 0 3 332.448 1.868 40 0 EDABHN CN(C)c1cc(CC[C@@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 ZINC000257277071 244394453 /nfs/dbraw/zinc/39/44/53/244394453.db2.gz NWHZTUYYFXRFCG-QGZVFWFLSA-N 0 3 349.475 1.323 40 0 EDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)n1 ZINC000096043529 203804668 /nfs/dbraw/zinc/80/46/68/203804668.db2.gz PQFVHUTZWWZQPX-KZNAEPCWSA-N 0 3 345.443 1.781 40 0 EDABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108536539 204267968 /nfs/dbraw/zinc/26/79/68/204267968.db2.gz LHKIMAVKYRDURP-PKOBYXMFSA-N 0 3 346.475 1.580 40 0 EDABHN CCN(CC)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 ZINC000072210731 257690276 /nfs/dbraw/zinc/69/02/76/257690276.db2.gz FBOQQRRLINTANI-UHFFFAOYSA-N 0 3 332.857 1.175 40 0 EDABHN CC(=O)NCc1cncc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000257250326 278125131 /nfs/dbraw/zinc/12/51/31/278125131.db2.gz JMBWDLWUQMNWEB-GOSISDBHSA-N 0 3 345.447 1.261 40 0 EDABHN COC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2cccc(Cl)c2C)n1 ZINC000009938574 441108377 /nfs/dbraw/zinc/10/83/77/441108377.db2.gz CQGJUQHSISTJGN-UHFFFAOYSA-N 0 3 349.778 1.906 40 0 EDABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012362918 441132344 /nfs/dbraw/zinc/13/23/44/441132344.db2.gz SATONLMCLJGEKX-AWEZNQCLSA-N 0 3 342.443 1.846 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)CCc1ccccc1)CC[C@H]2OC ZINC000096108548 442033384 /nfs/dbraw/zinc/03/33/84/442033384.db2.gz VLOPBHJVTSOGBT-IPMKNSEASA-N 0 3 346.471 1.813 40 0 EDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2ccco2)C1 ZINC000096111150 442036331 /nfs/dbraw/zinc/03/63/31/442036331.db2.gz GVYUBKUYTZQNIL-CXAGYDPISA-N 0 3 347.440 1.809 40 0 EDABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 ZINC000096110694 442036536 /nfs/dbraw/zinc/03/65/36/442036536.db2.gz ZPBMFJWMBZOQNU-RTBURBONSA-N 0 3 341.459 1.599 40 0 EDABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096219136 442090455 /nfs/dbraw/zinc/09/04/55/442090455.db2.gz HPAZKEOHBKDXTQ-INIZCTEOSA-N 0 3 336.432 1.722 40 0 EDABHN O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccccn1)C2 ZINC000096219134 442090622 /nfs/dbraw/zinc/09/06/22/442090622.db2.gz TXUFNOPADISDAF-HNAYVOBHSA-N 0 3 338.411 1.494 40 0 EDABHN CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079412879 442045268 /nfs/dbraw/zinc/04/52/68/442045268.db2.gz VOZLTXSTLXMXDS-AWEZNQCLSA-N 0 3 333.432 1.983 40 0 EDABHN O=C1C[C@@H]2[C@H](CCN2Cc2cccc(F)c2)N1CCN1CCOCC1 ZINC000096183967 442057246 /nfs/dbraw/zinc/05/72/46/442057246.db2.gz DYBKSJNAOMYFQO-ZWKOTPCHSA-N 0 3 347.434 1.333 40 0 EDABHN CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000096183823 442058108 /nfs/dbraw/zinc/05/81/08/442058108.db2.gz OWDKTMDNKVPPKX-DLBZAZTESA-N 0 3 340.427 1.545 40 0 EDABHN CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096187383 442064274 /nfs/dbraw/zinc/06/42/74/442064274.db2.gz UPZFNWOTVYJWBL-UHFFFAOYSA-N 0 3 328.372 1.399 40 0 EDABHN O=C(CC1CC1)NCc1cnc2n1CCN(C[C@H]1CCOC1)CC2 ZINC000096197050 442070089 /nfs/dbraw/zinc/07/00/89/442070089.db2.gz BOYLRYSAVFOVFN-OAHLLOKOSA-N 0 3 332.448 1.194 40 0 EDABHN CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 ZINC000096206746 442080305 /nfs/dbraw/zinc/08/03/05/442080305.db2.gz NZKBTZHJFWOUNH-HUUCEWRRSA-N 0 3 344.502 1.811 40 0 EDABHN CNC(=O)C[C@@H]1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@H]2O1 ZINC000096218845 442088865 /nfs/dbraw/zinc/08/88/65/442088865.db2.gz HWHAFXVUJRAFRS-QILLFSRXSA-N 0 3 325.412 1.960 40 0 EDABHN O=C(c1cc[nH]n1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257312507 443142570 /nfs/dbraw/zinc/14/25/70/443142570.db2.gz UOHMKDXGBJEUQL-OAHLLOKOSA-N 0 3 342.390 1.498 40 0 EDABHN CN(CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)C1CCCC1 ZINC000257317988 443145207 /nfs/dbraw/zinc/14/52/07/443145207.db2.gz VMAQJCFTCZRPCB-IAGOWNOFSA-N 0 3 336.407 1.651 40 0 EDABHN Nc1cc(CC[C@@H]2CN(C(=O)CN3CCCCC3)CCO2)ccn1 ZINC000257322494 443146907 /nfs/dbraw/zinc/14/69/07/443146907.db2.gz WGEKTHSMWBEQTL-MRXNPFEDSA-N 0 3 332.448 1.310 40 0 EDABHN CCCCc1ncc(CN2CC[C@H]3[C@@H](C[C@](C)(CO)N3C(C)=O)C2)[nH]1 ZINC000257280727 443128317 /nfs/dbraw/zinc/12/83/17/443128317.db2.gz OMCJBKYECYFFPF-VDZJLULYSA-N 0 3 348.491 1.946 40 0 EDABHN CC(=O)n1ccc2cc(C[C@@H]3COCCN(CCC(N)=O)C3)ccc21 ZINC000257326286 443149473 /nfs/dbraw/zinc/14/94/73/443149473.db2.gz WWQJVQNWOOUBHB-INIZCTEOSA-N 0 3 343.427 1.668 40 0 EDABHN Cn1nccc1[C@@H]1CN(Cc2nccs2)C[C@]12CCCN(C)C2=O ZINC000306125528 444285268 /nfs/dbraw/zinc/28/52/68/444285268.db2.gz CTHKIIMXHXQZSG-SUMWQHHRSA-N 0 3 345.472 1.715 40 0 EDABHN Cn1cccc1C(=O)NC[C@H]1Cn2nccc2CN(CC2CCC2)C1 ZINC000306127757 444285781 /nfs/dbraw/zinc/28/57/81/444285781.db2.gz GGKXQXHWGFGROK-MRXNPFEDSA-N 0 3 341.459 1.884 40 0 EDABHN CN(C)CCNc1nc(NCc2ccco2)cc(-c2ccccn2)n1 ZINC000329048469 444457571 /nfs/dbraw/zinc/45/75/71/444457571.db2.gz UKMKKPIJCVPMAO-UHFFFAOYSA-N 0 3 338.415 1.561 40 0 EDABHN COc1cccc(C(=O)N2CC3(C2)C[C@H](CO)CN3CC2CC2)c1 ZINC000585093788 448675571 /nfs/dbraw/zinc/67/55/71/448675571.db2.gz GCKVJBLUYCRGAA-HNNXBMFYSA-N 0 3 330.428 1.614 40 0 EDABHN O=S(=O)(NCC[C@H]1Cn2cccc2CN(C2CCC2)C1)C1CC1 ZINC000585095240 448678741 /nfs/dbraw/zinc/67/87/41/448678741.db2.gz JDZPWERZECRLKH-AWEZNQCLSA-N 0 3 337.489 1.944 40 0 EDABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585098576 448684000 /nfs/dbraw/zinc/68/40/00/448684000.db2.gz ZLACSNDHFLFTCO-AWEZNQCLSA-N 0 3 342.399 1.588 40 0 EDABHN O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585285185 448731721 /nfs/dbraw/zinc/73/17/21/448731721.db2.gz CQUMVRPENIUMFS-IRXDYDNUSA-N 0 3 343.370 1.320 40 0 EDABHN COc1ccc2c(c1)cc(C1CCN([C@@H]3COC[C@H]3O)CC1)[nH]c2=O ZINC000257226539 537015566 /nfs/dbraw/zinc/01/55/66/537015566.db2.gz FLBDQUMSDGBUNX-QZTJIDSGSA-N 0 3 344.411 1.888 40 0 EDABHN Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(CN)c2)n1 ZINC000257208843 244144555 /nfs/dbraw/zinc/14/45/55/244144555.db2.gz BNUIZCHRGGPHRN-UHFFFAOYSA-N 0 3 338.415 1.574 40 0 EDABHN CCCN1CCN(C(=O)c2cncc([C@H]3CCCN(C)C3)n2)CC1 ZINC000257223189 244190782 /nfs/dbraw/zinc/19/07/82/244190782.db2.gz DWHOJEFZJQHDGT-HNNXBMFYSA-N 0 3 331.464 1.454 40 0 EDABHN CN1CCC(Cc2ccccc2)(C(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000257233175 244221261 /nfs/dbraw/zinc/22/12/61/244221261.db2.gz GOCTWJAAJCTPEH-MRXNPFEDSA-N 0 3 329.444 1.336 40 0 EDABHN CNCC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360902 203206149 /nfs/dbraw/zinc/20/61/49/203206149.db2.gz CIOBILFLYBKSTK-CYBMUJFWSA-N 0 3 326.404 1.541 40 0 EDABHN CC(=O)N(C)[C@H]1CC2(CCN(Cc3cccn3C)CC2)OC[C@]1(C)O ZINC000257241456 244244497 /nfs/dbraw/zinc/24/44/97/244244497.db2.gz HYBZVAHOQVLIPJ-ROUUACIJSA-N 0 3 349.475 1.378 40 0 EDABHN CN(C)[C@H]1[C@H](NC(=O)c2ccccc2)C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257248218 244263014 /nfs/dbraw/zinc/26/30/14/244263014.db2.gz JCRNNSFHKZXLFX-YRXWBPOGSA-N 0 3 340.423 1.927 40 0 EDABHN NC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)CC2)ncn1 ZINC000257266772 244364296 /nfs/dbraw/zinc/36/42/96/244364296.db2.gz MEMJJBNORHLYFZ-CQSZACIVSA-N 0 3 325.416 1.815 40 0 EDABHN CN(C)CCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257273549 244386809 /nfs/dbraw/zinc/38/68/09/244386809.db2.gz NHCHOCLNJSCXGE-HKUYNNGSSA-N 0 3 348.443 1.383 40 0 EDABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1cccc(OC)c1 ZINC000257218314 285158681 /nfs/dbraw/zinc/15/86/81/285158681.db2.gz DCQFKYCNJLZYSS-AEFFLSMTSA-N 0 3 347.459 1.673 40 0 EDABHN C[C@]12CN(CCN3CCCC3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395020 300875072 /nfs/dbraw/zinc/87/50/72/300875072.db2.gz HSFGQYGCDXHBMH-APWZRJJASA-N 0 3 327.428 1.399 40 0 EDABHN CC(C)[C@@H](N)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012089001 441126532 /nfs/dbraw/zinc/12/65/32/441126532.db2.gz ZVRMPUDBLPLPRN-MRXNPFEDSA-N 0 3 330.432 1.373 40 0 EDABHN CCN(CC)c1ccc(NC(=O)CNCCN2CCOCC2)c(C)c1 ZINC000057698731 441127404 /nfs/dbraw/zinc/12/74/04/441127404.db2.gz UIECGGNOUNXPKV-UHFFFAOYSA-N 0 3 348.491 1.702 40 0 EDABHN COCCN1CCC(c2nc(N(C)C)ncc2-c2cncnc2)CC1 ZINC000019695254 441258666 /nfs/dbraw/zinc/25/86/66/441258666.db2.gz NAMXBQUOXNOJSJ-UHFFFAOYSA-N 0 3 342.447 1.825 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096056950 442005063 /nfs/dbraw/zinc/00/50/63/442005063.db2.gz GKVYSHUJPUYLLG-SJLPKXTDSA-N 0 3 336.432 1.756 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096056952 442005489 /nfs/dbraw/zinc/00/54/89/442005489.db2.gz GKVYSHUJPUYLLG-FUHWJXTLSA-N 0 3 336.432 1.756 40 0 EDABHN CN(C)C(=O)Cn1cc2c(n1)[C@H](CNCc1cccs1)OCC2 ZINC000096059726 442008042 /nfs/dbraw/zinc/00/80/42/442008042.db2.gz YFRCSAOJTDKCQF-AWEZNQCLSA-N 0 3 334.445 1.436 40 0 EDABHN Cc1occc1C(=O)N1CC[C@@H]2O[C@H](COCCN(C)C)CC[C@@H]21 ZINC000096064595 442013148 /nfs/dbraw/zinc/01/31/48/442013148.db2.gz ZVBGICGCVJLZRK-XIRDDKMYSA-N 0 3 336.432 1.928 40 0 EDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)n1 ZINC000096108310 442032052 /nfs/dbraw/zinc/03/20/52/442032052.db2.gz FMCALYZYUCCVQQ-APWZRJJASA-N 0 3 344.459 1.644 40 0 EDABHN C[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413061 442045730 /nfs/dbraw/zinc/04/57/30/442045730.db2.gz AZMXTTOLMYGCJD-GOEBONIOSA-N 0 3 345.443 1.983 40 0 EDABHN O=C(c1ccno1)N1CC[C@@H]2O[C@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096186095 442060637 /nfs/dbraw/zinc/06/06/37/442060637.db2.gz OSHQIIIQTMFWIU-JYJNAYRXSA-N 0 3 349.431 1.549 40 0 EDABHN COCC(=O)N1CCC2(C[C@@H](COC)N(Cc3cccnc3)C2)CC1 ZINC000096216097 442087667 /nfs/dbraw/zinc/08/76/67/442087667.db2.gz UCLREFBSOGORHA-KRWDZBQOSA-N 0 3 347.459 1.558 40 0 EDABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccnc1)CC2 ZINC000096217736 442088350 /nfs/dbraw/zinc/08/83/50/442088350.db2.gz YLHAIUKNHROLII-IBGZPJMESA-N 0 3 344.459 1.631 40 0 EDABHN Cc1cccc(CN2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 ZINC000096239291 442099554 /nfs/dbraw/zinc/09/95/54/442099554.db2.gz YLFFSUUJHUNUNS-SFHVURJKSA-N 0 3 325.416 1.753 40 0 EDABHN Cc1ccc(CN2C[C@@H]3CN(S(=O)(=O)N(C)C)CC[C@@H]3C2)o1 ZINC000096246236 442101142 /nfs/dbraw/zinc/10/11/42/442101142.db2.gz ZUVNIIVEPKWIAG-ZIAGYGMSSA-N 0 3 327.450 1.148 40 0 EDABHN Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257306034 443139468 /nfs/dbraw/zinc/13/94/68/443139468.db2.gz SSQAHSGAOFVOOE-INIZCTEOSA-N 0 3 328.416 1.993 40 0 EDABHN Cc1nc([C@]2(C)CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2C ZINC000257311281 443142218 /nfs/dbraw/zinc/14/22/18/443142218.db2.gz UITPSJBFCYURAY-LJQANCHMSA-N 0 3 344.459 1.836 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)n1 ZINC000257338092 443154316 /nfs/dbraw/zinc/15/43/16/443154316.db2.gz YVTQNGWDUBSKAD-QGZVFWFLSA-N 0 3 333.432 1.783 40 0 EDABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]2[C@H]1CCCCN2C ZINC000257344774 443156913 /nfs/dbraw/zinc/15/69/13/443156913.db2.gz ZYQCNJNIGXPOGZ-ZIAGYGMSSA-N 0 3 326.466 1.664 40 0 EDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 ZINC000242495952 443211334 /nfs/dbraw/zinc/21/13/34/443211334.db2.gz GURMLFBGOVMKKE-FGTMMUONSA-N 0 3 331.437 1.872 40 0 EDABHN O[C@@H](COCc1ccccc1F)CN1CCC(n2cncn2)CC1 ZINC000303257188 444236057 /nfs/dbraw/zinc/23/60/57/444236057.db2.gz IXNLODCTZZTLKO-MRXNPFEDSA-N 0 3 334.395 1.632 40 0 EDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306125618 444284996 /nfs/dbraw/zinc/28/49/96/444284996.db2.gz CVZXZEPLYIHNFI-OLZOCXBDSA-N 0 3 327.388 1.068 40 0 EDABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN(CC(C)C)C2 ZINC000585105001 448688484 /nfs/dbraw/zinc/68/84/84/448688484.db2.gz XPICIKPTUZCNSU-GOSISDBHSA-N 0 3 335.448 1.998 40 0 EDABHN CN(CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1)C1CCCC1 ZINC000585278705 448726575 /nfs/dbraw/zinc/72/65/75/448726575.db2.gz QZPLFQDHMBAASL-HXUWFJFHSA-N 0 3 346.471 1.693 40 0 EDABHN O=C(c1cccc(F)c1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019293510 202002000 /nfs/dbraw/zinc/00/20/00/202002000.db2.gz RRBUCRCAWGXMPT-CYBMUJFWSA-N 0 3 326.375 1.891 40 0 EDABHN CN1CCc2nc(C3CCN(C(=O)c4ccccn4)CC3)ncc2C1 ZINC000019590700 202014130 /nfs/dbraw/zinc/01/41/30/202014130.db2.gz DZFOFFBMBIIVKZ-UHFFFAOYSA-N 0 3 337.427 1.879 40 0 EDABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCCC2)cc1 ZINC000020040968 202030080 /nfs/dbraw/zinc/03/00/80/202030080.db2.gz QDAWFRKKNATYFK-UHFFFAOYSA-N 0 3 340.445 1.379 40 0 EDABHN O[C@@H]1[C@H](NCc2ccccn2)CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000257204295 244131576 /nfs/dbraw/zinc/13/15/76/244131576.db2.gz ATWNIFALCDYVCV-BRSBDYLESA-N 0 3 332.375 1.642 40 0 EDABHN Cc1cc(C(=O)NCCN2CCCC2)nc([C@H]2CCCN(C)C2)n1 ZINC000072369319 203209515 /nfs/dbraw/zinc/20/95/15/203209515.db2.gz ZVIKFXIRQVVOQI-HNNXBMFYSA-N 0 3 331.464 1.420 40 0 EDABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072382964 203210815 /nfs/dbraw/zinc/21/08/15/203210815.db2.gz UTMQPCORJFHKHM-CQSZACIVSA-N 0 3 340.431 1.897 40 0 EDABHN CN(C)c1cccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257245268 244255857 /nfs/dbraw/zinc/25/58/57/244255857.db2.gz IOSLZHZKLFFARU-KRWDZBQOSA-N 0 3 346.475 1.922 40 0 EDABHN CN1CCC[C@@H](c2cnc(CCC(=O)NC3CCOCC3)cn2)C1 ZINC000072366866 203207043 /nfs/dbraw/zinc/20/70/43/203207043.db2.gz SRBXUBMIGJAWFM-CQSZACIVSA-N 0 3 332.448 1.514 40 0 EDABHN C[S@](=O)CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392377 203213165 /nfs/dbraw/zinc/21/31/65/203213165.db2.gz PSSZVGANRAEXSH-HSZRJFAPSA-N 0 3 333.392 1.399 40 0 EDABHN CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096107906 203834932 /nfs/dbraw/zinc/83/49/32/203834932.db2.gz IIBVYMDRGQGBFP-IAGOWNOFSA-N 0 3 338.473 1.402 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@H]21 ZINC000096043318 203804535 /nfs/dbraw/zinc/80/45/35/203804535.db2.gz WJKHRFOHWXJLGK-FGTMMUONSA-N 0 3 347.459 1.380 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)cn1 ZINC000096061229 203816922 /nfs/dbraw/zinc/81/69/22/203816922.db2.gz VAQNIILKQPZZCM-INIZCTEOSA-N 0 3 332.448 1.556 40 0 EDABHN Cc1ccc(C(=O)N2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cn1 ZINC000096063317 292058731 /nfs/dbraw/zinc/05/87/31/292058731.db2.gz ZNYRQQZCGHHIOG-SJLPKXTDSA-N 0 3 333.432 1.342 40 0 EDABHN Cn1nccc1COCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000284233001 274126504 /nfs/dbraw/zinc/12/65/04/274126504.db2.gz JIIXQBVGZOCIBP-INIZCTEOSA-N 0 3 340.427 1.948 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccoc1)C2 ZINC000096065009 289171092 /nfs/dbraw/zinc/17/10/92/289171092.db2.gz UYRBHPBOXPFLGY-FUHWJXTLSA-N 0 3 336.432 1.869 40 0 EDABHN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2CCCC2)nn1 ZINC000004985981 440934174 /nfs/dbraw/zinc/93/41/74/440934174.db2.gz PWNRYRZUWPKSIB-ZDUSSCGKSA-N 0 3 331.395 1.852 40 0 EDABHN CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1N1CCNCC1 ZINC000062718762 441309021 /nfs/dbraw/zinc/30/90/21/441309021.db2.gz RZTFYDWEFRFKJT-UHFFFAOYSA-N 0 3 345.399 1.838 40 0 EDABHN CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096039766 441987227 /nfs/dbraw/zinc/98/72/27/441987227.db2.gz IFWKTTDIVZIONC-HKUYNNGSSA-N 0 3 347.459 1.558 40 0 EDABHN c1cc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)ccn1 ZINC000096057936 442006737 /nfs/dbraw/zinc/00/67/37/442006737.db2.gz QLARUQPLGDAGMO-IPMKNSEASA-N 0 3 331.460 1.926 40 0 EDABHN O=C(COC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1 ZINC000096108800 442033569 /nfs/dbraw/zinc/03/35/69/442033569.db2.gz UWASBNQKZUMHOH-QAPCUYQASA-N 0 3 334.416 1.367 40 0 EDABHN Cc1cnc(N2CCC[C@]3(CCC(=O)N3CCN(C)C)CC2)nc1 ZINC000096217761 442089517 /nfs/dbraw/zinc/08/95/17/442089517.db2.gz LMDLIBDZLGZDGQ-SFHVURJKSA-N 0 3 331.464 1.698 40 0 EDABHN Cc1cc(OC[C@@H]2CO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]23)cc(C)n1 ZINC000096219550 442090285 /nfs/dbraw/zinc/09/02/85/442090285.db2.gz XCCNTSHBGZCCPA-DJIMGWMZSA-N 0 3 328.416 1.947 40 0 EDABHN c1nnc(N2CCOC[C@]3(CCCN(C4CCOCC4)C3)C2)s1 ZINC000096229274 442096377 /nfs/dbraw/zinc/09/63/77/442096377.db2.gz CMKFNNZDIBHUFD-INIZCTEOSA-N 0 3 338.477 1.636 40 0 EDABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCN(C)CC4)C[C@@H]32)cc1 ZINC000096183658 442058440 /nfs/dbraw/zinc/05/84/40/442058440.db2.gz YLCHDZUADFEPCZ-GBESFXJTSA-N 0 3 343.471 1.501 40 0 EDABHN O=c1ccc2c(n1Cc1cccnc1)CCN([C@@H]1CCOC1)CC2 ZINC000096196714 442069451 /nfs/dbraw/zinc/06/94/51/442069451.db2.gz CLFQYICBICSSLP-QGZVFWFLSA-N 0 3 325.412 1.481 40 0 EDABHN CC(C)CN1c2ccccc2[C@]2(C[C@@H]2C(=O)NCCN(C)C)C1=O ZINC000096243462 442100689 /nfs/dbraw/zinc/10/06/89/442100689.db2.gz GBNBIGZWGQKBBX-BEFAXECRSA-N 0 3 329.444 1.625 40 0 EDABHN O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096253470 442104856 /nfs/dbraw/zinc/10/48/56/442104856.db2.gz FXFQCMGWOUXIGJ-JKIFEVAISA-N 0 3 330.384 1.853 40 0 EDABHN COCCN1CCOC[C@]2(CC[C@@H](CN(C)Cc3cccnc3)O2)C1 ZINC000248021405 442877605 /nfs/dbraw/zinc/87/76/05/442877605.db2.gz FNNWWUWDPQERJP-OALUTQOASA-N 0 3 349.475 1.410 40 0 EDABHN COc1ccc2c3c1O[C@]1(CO)C(OC)=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000253504857 443072248 /nfs/dbraw/zinc/07/22/48/443072248.db2.gz MBCREQDZNVPNRN-VOBQZIQPSA-N 0 3 341.407 1.787 40 0 biogenic,in-vitro EDABHN CN(CCC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1cccnc1 ZINC000257302810 443138376 /nfs/dbraw/zinc/13/83/76/443138376.db2.gz SEOAAYOPSPCCGU-KRWDZBQOSA-N 0 3 347.459 1.436 40 0 EDABHN Cc1nc([C@@]2(C)CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2C ZINC000257311280 443142450 /nfs/dbraw/zinc/14/24/50/443142450.db2.gz UITPSJBFCYURAY-IBGZPJMESA-N 0 3 344.459 1.836 40 0 EDABHN O=C(CNC[C@H]1CCCO1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261694542 443164817 /nfs/dbraw/zinc/16/48/17/443164817.db2.gz HTLOBVPDPBMQSW-HZPDHXFCSA-N 0 3 337.851 1.582 40 0 EDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc2c(c1)OCO2 ZINC000242648756 443211829 /nfs/dbraw/zinc/21/18/29/443211829.db2.gz RGFUOFHQFTZYBK-BZUAXINKSA-N 0 3 341.429 1.297 40 0 EDABHN O=C1CCCN1C[C@H]1CC[C@]2(COCCN(C3CCOCC3)C2)O1 ZINC000306132246 444286254 /nfs/dbraw/zinc/28/62/54/444286254.db2.gz LCYGCDWWOWAORR-AEFFLSMTSA-N 0 3 338.448 1.038 40 0 EDABHN CN(C)CCNc1nc(NCc2cccnc2)cc(-c2ccccn2)n1 ZINC000329068733 444464165 /nfs/dbraw/zinc/46/41/65/444464165.db2.gz YSKQOLAVFQQCKH-UHFFFAOYSA-N 0 3 349.442 1.363 40 0 EDABHN COCCN1CCC2(CC1)CN(C(=O)c1c(C)noc1C)CCO2 ZINC000585101273 448685331 /nfs/dbraw/zinc/68/53/31/448685331.db2.gz PJSIMWOHWGYFFN-UHFFFAOYSA-N 0 3 337.420 1.245 40 0 EDABHN COCCN1C[C@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585104426 448686638 /nfs/dbraw/zinc/68/66/38/448686638.db2.gz MZFKRZPBZATHBV-QFBILLFUSA-N 0 3 332.444 1.945 40 0 EDABHN CNC(=O)[C@H]1CN(Cc2ccc3ncccc3c2)CCN(C(C)=O)C1 ZINC000585178737 448715368 /nfs/dbraw/zinc/71/53/68/448715368.db2.gz BOVAVMLAPPDALC-KRWDZBQOSA-N 0 3 340.427 1.261 40 0 EDABHN CC(C)C[C@H](NC(=O)[C@H](NCCO)C(C)C)C(=O)Nc1ccccc1 ZINC000224552998 486170393 /nfs/dbraw/zinc/17/03/93/486170393.db2.gz HZJRNDZHXMTSIQ-DLBZAZTESA-N 0 3 349.475 1.763 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218585121 535596152 /nfs/dbraw/zinc/59/61/52/535596152.db2.gz MPSWWIWTYUUGEJ-YDHLFZDLSA-N 0 3 329.393 1.234 40 0 EDABHN CN(CCO)CCN(C)c1cc(Br)cc2nonc21 ZINC000066091793 215009371 /nfs/dbraw/zinc/00/93/71/215009371.db2.gz UGKAOJCGSGVMPJ-UHFFFAOYSA-N 0 3 329.198 1.346 40 0 EDABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)NCc2ccccn2)C1 ZINC000036752978 213117021 /nfs/dbraw/zinc/11/70/21/213117021.db2.gz VMKRUGLBPVEKDU-MRXNPFEDSA-N 0 3 327.432 1.615 40 0 EDABHN Cc1nc(C2(C)CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)cc(=O)[n-]1 ZINC000072367344 216175238 /nfs/dbraw/zinc/17/52/38/216175238.db2.gz ZLOPLCFTAZNYDV-SFHVURJKSA-N 0 3 332.448 1.903 40 0 EDABHN COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N3CCCCC3)[C@H]2O)c1 ZINC000257221625 244186398 /nfs/dbraw/zinc/18/63/98/244186398.db2.gz DPXGYAKSQJIMJV-NCOADZHNSA-N 0 3 349.431 1.099 40 0 EDABHN CCS(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257220523 244182117 /nfs/dbraw/zinc/18/21/17/244182117.db2.gz DLCRFYOHFBGXIN-OAHLLOKOSA-N 0 3 330.425 1.044 40 0 EDABHN Cc1ccnc(-n2cccc2CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c1 ZINC000019238221 212008504 /nfs/dbraw/zinc/00/85/04/212008504.db2.gz FXUCZOMCLJQTCS-RYQLBKOJSA-N 0 3 326.444 1.820 40 0 EDABHN Cn1cc(-c2nnn3c2CO[C@@H](CNCc2cccs2)C3)cn1 ZINC000096061006 218553930 /nfs/dbraw/zinc/55/39/30/218553930.db2.gz KWVXCEJAQKRTMG-LBPRGKRZSA-N 0 3 330.417 1.429 40 0 EDABHN O=C1CC[C@]2(CCCN(c3ncccn3)C2)N1CCN1CCCC1 ZINC000096071230 280261644 /nfs/dbraw/zinc/26/16/44/280261644.db2.gz FDMNMWRQJCJHET-SFHVURJKSA-N 0 3 329.448 1.534 40 0 EDABHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COC2CCCCC2)C1 ZINC000005997914 440977209 /nfs/dbraw/zinc/97/72/09/440977209.db2.gz DXUPJBKWHBRLDL-GVDBMIGSSA-N 0 3 346.471 1.978 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335612 441229695 /nfs/dbraw/zinc/22/96/95/441229695.db2.gz JBEDGBCEBIPOIS-KBPBESRZSA-N 0 3 332.448 1.401 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335612 441229698 /nfs/dbraw/zinc/22/96/98/441229698.db2.gz JBEDGBCEBIPOIS-KBPBESRZSA-N 0 3 332.448 1.401 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCOC2)C3)C1 ZINC000072335612 441229701 /nfs/dbraw/zinc/22/97/01/441229701.db2.gz JBEDGBCEBIPOIS-KBPBESRZSA-N 0 3 332.448 1.401 40 0 EDABHN O=c1cc([C@@H]2CCC[N@H+](CC3CCCC3)C2)nc(N2CCOCC2)[n-]1 ZINC000019291978 441256458 /nfs/dbraw/zinc/25/64/58/441256458.db2.gz QYDNTRZTFNPIKF-MRXNPFEDSA-N 0 3 346.475 1.976 40 0 EDABHN O=c1cc([C@@H]2CCC[N@@H+](CC3CCCC3)C2)nc(N2CCOCC2)[n-]1 ZINC000019291978 441256464 /nfs/dbraw/zinc/25/64/64/441256464.db2.gz QYDNTRZTFNPIKF-MRXNPFEDSA-N 0 3 346.475 1.976 40 0 EDABHN O=C(CCn1cccn1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019406091 441257796 /nfs/dbraw/zinc/25/77/96/441257796.db2.gz ONHNSOCOASGBRS-UHFFFAOYSA-N 0 3 340.431 1.115 40 0 EDABHN CN1CCN(CCCNC(=O)COc2ccccc2Cl)CC1 ZINC000061524198 441275076 /nfs/dbraw/zinc/27/50/76/441275076.db2.gz MFXYVRRZEDMHFR-UHFFFAOYSA-N 0 3 325.840 1.473 40 0 EDABHN O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(C3CCOCC3)CCN12 ZINC000085436185 441440193 /nfs/dbraw/zinc/44/01/93/441440193.db2.gz UDQKLFNSOHJWTJ-QGZVFWFLSA-N 0 3 333.407 1.927 40 0 biogenic,in-vitro EDABHN Cc1nc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)c[nH]1 ZINC000108525225 441459544 /nfs/dbraw/zinc/45/95/44/441459544.db2.gz HSYKQMJJFALXMY-UHFFFAOYSA-N 0 3 338.477 1.545 40 0 EDABHN Cc1ncc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)[nH]1 ZINC000108525225 441459548 /nfs/dbraw/zinc/45/95/48/441459548.db2.gz HSYKQMJJFALXMY-UHFFFAOYSA-N 0 3 338.477 1.545 40 0 EDABHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108527189 441459778 /nfs/dbraw/zinc/45/97/78/441459778.db2.gz KURBIPBTYKVACL-MRXNPFEDSA-N 0 3 349.479 1.513 40 0 EDABHN CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 ZINC000108534770 441462107 /nfs/dbraw/zinc/46/21/07/441462107.db2.gz LMQVWCBIJZXOEB-CYBMUJFWSA-N 0 3 328.434 1.342 40 0 EDABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096064833 442013081 /nfs/dbraw/zinc/01/30/81/442013081.db2.gz NRICJHJUHOIYGS-IEBWSBKVSA-N 0 3 348.443 1.439 40 0 EDABHN O=C(NCc1cncc2c1CCN(C1CCOCC1)C2)c1ccno1 ZINC000096067438 442016098 /nfs/dbraw/zinc/01/60/98/442016098.db2.gz FLSOVLZCFGYFKU-UHFFFAOYSA-N 0 3 342.399 1.537 40 0 EDABHN Cc1nc(CN2CCOC[C@]3(CCCN(CCO)C3)C2)cs1 ZINC000096229366 442096142 /nfs/dbraw/zinc/09/61/42/442096142.db2.gz MWXRMNHHFDNOFY-INIZCTEOSA-N 0 3 325.478 1.358 40 0 EDABHN COCCO[C@H]1CCN(Cc2cccnc2)[C@H]1Cc1cnn(C)c1 ZINC000096200645 442075688 /nfs/dbraw/zinc/07/56/88/442075688.db2.gz HUDLOZNMZYNESH-ROUUACIJSA-N 0 3 330.432 1.664 40 0 EDABHN CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 ZINC000096207147 442081927 /nfs/dbraw/zinc/08/19/27/442081927.db2.gz OEZCWSAIHWUIKL-DZGCQCFKSA-N 0 3 344.502 1.811 40 0 EDABHN COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cc(C)ccc3C)C[C@H]12 ZINC000247846629 442870304 /nfs/dbraw/zinc/87/03/04/442870304.db2.gz PUHQYHKIDAOCTP-KZNAEPCWSA-N 0 3 332.444 1.513 40 0 EDABHN Cn1cc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cn1 ZINC000248136955 442883799 /nfs/dbraw/zinc/88/37/99/442883799.db2.gz OVWWKDRAUJBMEU-ROUUACIJSA-N 0 3 327.432 1.685 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000257318902 443145243 /nfs/dbraw/zinc/14/52/43/443145243.db2.gz VPWXRQKYHVNZJN-CYBMUJFWSA-N 0 3 333.461 1.248 40 0 EDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cscn1 ZINC000257318952 443145591 /nfs/dbraw/zinc/14/55/91/443145591.db2.gz VQBNGPLVQOYSAB-OJLVUWQFSA-N 0 3 347.440 1.384 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(C[C@H]2CCOC2)C3)C1 ZINC000257247920 443125918 /nfs/dbraw/zinc/12/59/18/443125918.db2.gz JBEDGBCEBIPOIS-UONOGXRCSA-N 0 3 332.448 1.813 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@H+](C[C@H]2CCOC2)C3)C1 ZINC000257247920 443125922 /nfs/dbraw/zinc/12/59/22/443125922.db2.gz JBEDGBCEBIPOIS-UONOGXRCSA-N 0 3 332.448 1.813 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@@H+](C[C@H]2CCOC2)C3)C1 ZINC000257247920 443125924 /nfs/dbraw/zinc/12/59/24/443125924.db2.gz JBEDGBCEBIPOIS-UONOGXRCSA-N 0 3 332.448 1.813 40 0 EDABHN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@H]2CCOC2)C3)C1 ZINC000257247920 443125928 /nfs/dbraw/zinc/12/59/28/443125928.db2.gz JBEDGBCEBIPOIS-UONOGXRCSA-N 0 3 332.448 1.813 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289532 448161001 /nfs/dbraw/zinc/16/10/01/448161001.db2.gz NKMKSNSKXMBMJB-VQTJNVASSA-N 0 3 343.515 1.690 40 0 biogenic,in-vitro EDABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)cc1 ZINC000585282438 448729933 /nfs/dbraw/zinc/72/99/33/448729933.db2.gz KCEBROILLHIRFK-ICSRJNTNSA-N 0 3 349.471 1.867 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000257261506 536398854 /nfs/dbraw/zinc/39/88/54/536398854.db2.gz LHQLLUYNTCBIOL-ZDUSSCGKSA-N 0 3 329.366 1.815 40 0 EDABHN CC(C)N(C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000097953435 219064159 /nfs/dbraw/zinc/06/41/59/219064159.db2.gz MVJYYGWRWILGNB-WDYCEAGBSA-N 0 3 331.460 1.970 40 0 EDABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 ZINC000072367361 216174141 /nfs/dbraw/zinc/17/41/41/216174141.db2.gz XPCGEJMDLZDZKK-SFHVURJKSA-N 0 3 347.463 1.095 40 0 EDABHN CC(C)N(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079412494 217221422 /nfs/dbraw/zinc/22/14/22/217221422.db2.gz VIDGPTPAJQLEMY-UHFFFAOYSA-N 0 3 333.432 1.983 40 0 EDABHN NCC(=O)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393002 217218814 /nfs/dbraw/zinc/21/88/14/217218814.db2.gz WFUMRLFJPYLNPZ-MRXNPFEDSA-N 0 3 345.443 1.985 40 0 EDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CCCn1cncn1 ZINC000012366152 211357797 /nfs/dbraw/zinc/35/77/97/211357797.db2.gz BXHCJJUCIPJVTK-MRXNPFEDSA-N 0 3 343.431 1.410 40 0 EDABHN O=C(CNC[C@@H]1CCCO1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261694545 139218160 /nfs/dbraw/zinc/21/81/60/139218160.db2.gz HTLOBVPDPBMQSW-JKSUJKDBSA-N 0 3 337.851 1.582 40 0 EDABHN CN(C)CCSc1nnc2c3ccccc3n(CC(N)=O)c2n1 ZINC000001507819 440845970 /nfs/dbraw/zinc/84/59/70/440845970.db2.gz XGFLNWCYNGGSHW-UHFFFAOYSA-N 0 3 330.417 1.119 40 0 EDABHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCC(N)=O ZINC000008327022 441089710 /nfs/dbraw/zinc/08/97/10/441089710.db2.gz LOGHKQAEVCAMSY-LLVKDONJSA-N 0 3 330.812 1.463 40 0 EDABHN Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CN(C)C)OC[C@H]3C2)c1 ZINC000107201734 441404245 /nfs/dbraw/zinc/40/42/45/441404245.db2.gz CMHFWXTVVRJGBR-OIISXLGYSA-N 0 3 338.473 1.582 40 0 EDABHN O[C@H](Cn1cccn1)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609650 441666228 /nfs/dbraw/zinc/66/62/28/441666228.db2.gz HNCPFNHYASQUJW-HOTGVXAUSA-N 0 3 344.463 1.442 40 0 EDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCOCC3)C2)n1 ZINC000096038719 441985953 /nfs/dbraw/zinc/98/59/53/441985953.db2.gz GDNRRKODEQCLCA-IEBWSBKVSA-N 0 3 345.443 1.230 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCOCC1 ZINC000096040844 441987034 /nfs/dbraw/zinc/98/70/34/441987034.db2.gz HEBFIIHURIOXHS-KURKYZTESA-N 0 3 345.443 1.025 40 0 EDABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccoc1)C2 ZINC000096059571 442007841 /nfs/dbraw/zinc/00/78/41/442007841.db2.gz QVCLRSFJBWOMSR-UHFFFAOYSA-N 0 3 328.416 1.838 40 0 EDABHN CN1CCN(C[C@@H]2OC[C@H]3CN(C(=O)c4ccsc4)CC[C@@H]23)CC1 ZINC000096064303 442012421 /nfs/dbraw/zinc/01/24/21/442012421.db2.gz IMLNWCGELOVLIS-ZACQAIPSSA-N 0 3 349.500 1.473 40 0 EDABHN CN(C)CCOCc1nn(C)c2c1CCN(C(=O)c1ccsc1)C2 ZINC000096084998 442024207 /nfs/dbraw/zinc/02/42/07/442024207.db2.gz PJMTUFPLECQEJB-UHFFFAOYSA-N 0 3 348.472 1.758 40 0 EDABHN CCS(=O)(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2 ZINC000096108377 442032481 /nfs/dbraw/zinc/03/24/81/442032481.db2.gz JPDXKAHPIIVZRG-SJORKVTESA-N 0 3 338.473 1.117 40 0 EDABHN O=C(NCCN1CCCC1)[C@@H]1C[C@H]2[C@H](CCN2Cc2cccnc2)O1 ZINC000096186578 442062923 /nfs/dbraw/zinc/06/29/23/442062923.db2.gz UTGGNRWBCUHFTA-BZSNNMDCSA-N 0 3 344.459 1.025 40 0 EDABHN Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccco2)cn1 ZINC000096200950 442075931 /nfs/dbraw/zinc/07/59/31/442075931.db2.gz AHVJGYTYBYMGCA-MSOLQXFVSA-N 0 3 330.432 1.531 40 0 EDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096201984 442077452 /nfs/dbraw/zinc/07/74/52/442077452.db2.gz PCXQCTNZODVUKN-SFHVURJKSA-N 0 3 335.448 1.261 40 0 EDABHN CN(C)C(=O)CN1CCOCC2(CCN(Cc3ccco3)CC2)C1 ZINC000096239863 442099457 /nfs/dbraw/zinc/09/94/57/442099457.db2.gz ZZLXJQVDIIOOMI-UHFFFAOYSA-N 0 3 335.448 1.282 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(OC)cc1 ZINC000252513919 443039470 /nfs/dbraw/zinc/03/94/70/443039470.db2.gz AVRKSDQXIJUDCM-IIAWOOMASA-N 0 3 341.429 1.104 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CN(CC3CCOCC3)CCN2C)c1 ZINC000257299969 443137385 /nfs/dbraw/zinc/13/73/85/443137385.db2.gz RSIWFUORFBSUNF-SFHVURJKSA-N 0 3 331.460 1.761 40 0 EDABHN O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2ncccn2)C1 ZINC000257220393 443124366 /nfs/dbraw/zinc/12/43/66/443124366.db2.gz DKQJCMIASHBQCL-SFHVURJKSA-N 0 3 346.406 1.556 40 0 EDABHN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]12 ZINC000257266109 443126547 /nfs/dbraw/zinc/12/65/47/443126547.db2.gz MBPYLWCXQWKMIF-IXDOHACOSA-N 0 3 343.475 1.636 40 0 EDABHN Cc1csc(Nc2cc(C)nc([C@H]3CCN(C(=O)CN)C3)n2)n1 ZINC000257328604 443150354 /nfs/dbraw/zinc/15/03/54/443150354.db2.gz XGKFCMMOZDTLJV-NSHDSACASA-N 0 3 332.433 1.568 40 0 EDABHN CN(C)CCNc1nc(NCc2cccs2)cc(C(F)(F)F)n1 ZINC000329071549 444464371 /nfs/dbraw/zinc/46/43/71/444464371.db2.gz ZQTYHFDRHGSYPT-UHFFFAOYSA-N 0 3 345.394 1.986 40 0 EDABHN Cc1nc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc2nncn21 ZINC000413239244 447086783 /nfs/dbraw/zinc/08/67/83/447086783.db2.gz MMZZFRRYSSVKBK-YJBOKZPZSA-N 0 3 337.431 1.957 40 0 EDABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O ZINC000514288372 448160442 /nfs/dbraw/zinc/16/04/42/448160442.db2.gz BLWIXRSHGRATLN-HRCADAONSA-N 0 3 337.420 1.287 40 0 biogenic,in-vitro EDABHN CNC(=O)C[C@@]1(OC)COCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000585279507 448728141 /nfs/dbraw/zinc/72/81/41/448728141.db2.gz NHXTWXQOCGHPKF-SFHVURJKSA-N 0 3 331.416 1.521 40 0 EDABHN Cc1cc(C)n(C(=O)CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000585287255 485898306 /nfs/dbraw/zinc/89/83/06/485898306.db2.gz WARUBPXVMBHNJV-SZVBFZGTSA-N 0 3 343.427 1.948 40 0 EDABHN CN(C)[C@@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C)n3ccccc23)C1 ZINC000306131420 517912104 /nfs/dbraw/zinc/91/21/04/517912104.db2.gz KDWOQIDFHNRTGG-ZBFHGGJFSA-N 0 3 341.459 1.877 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218514244 535596267 /nfs/dbraw/zinc/59/62/67/535596267.db2.gz SIPVHLNMZGRCOT-IPYPFGDCSA-N 0 3 345.848 1.749 40 0 EDABHN Cc1ccc(OCCCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022829978 212326551 /nfs/dbraw/zinc/32/65/51/212326551.db2.gz VWTWWMADPIXRHK-UHFFFAOYSA-N 0 3 333.476 1.908 40 0 EDABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)c1 ZINC000257255760 244281266 /nfs/dbraw/zinc/28/12/66/244281266.db2.gz KISKQKMMAOJUAT-ZDUSSCGKSA-N 0 3 349.460 1.652 40 0 EDABHN Cc1ccn(CCC(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257262285 244349129 /nfs/dbraw/zinc/34/91/29/244349129.db2.gz LKVMPNZVSIJCSR-MRXNPFEDSA-N 0 3 329.404 1.467 40 0 EDABHN O=C(C1CC1)N1CCC(c2nc([C@H]3CCC[NH2+]C3)cc(=O)[n-]2)CC1 ZINC000019291968 212011279 /nfs/dbraw/zinc/01/12/79/212011279.db2.gz QWJUGBLBBRCXLO-AWEZNQCLSA-N 0 3 330.432 1.353 40 0 EDABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079412850 217222369 /nfs/dbraw/zinc/22/23/69/217222369.db2.gz KSFWCZYOIPKJBX-GOEBONIOSA-N 0 3 333.432 1.983 40 0 EDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccccc1C ZINC000010339409 211167443 /nfs/dbraw/zinc/16/74/43/211167443.db2.gz QBSQLDIJHHESLE-HUUCEWRRSA-N 0 3 345.399 1.033 40 0 EDABHN CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(CCN4CCCC4)C[C@@H]3O2)CC1 ZINC000096065483 218561169 /nfs/dbraw/zinc/56/11/69/218561169.db2.gz JGRUGFOVNULHGV-FHWLQOOXSA-N 0 3 349.519 1.820 40 0 EDABHN O=C(c1cccnc1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041626 280215035 /nfs/dbraw/zinc/21/50/35/280215035.db2.gz LWJZZSWDISENHB-RCCFBDPRSA-N 0 3 345.443 1.566 40 0 EDABHN COC[C@H]1c2nnn(CC3CC3)c2CCN1CCN1CCCCC1 ZINC000096068804 293241631 /nfs/dbraw/zinc/24/16/31/293241631.db2.gz VLORHSPAIRSRJE-KRWDZBQOSA-N 0 3 333.480 1.720 40 0 EDABHN O=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000012739558 441140384 /nfs/dbraw/zinc/14/03/84/441140384.db2.gz FZHKONYHLVEDDV-BFYDXBDKSA-N 0 3 339.457 1.218 40 0 EDABHN CC(C)c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000061524894 441275572 /nfs/dbraw/zinc/27/55/72/441275572.db2.gz ZUNLAFOTEHVSPZ-UHFFFAOYSA-N 0 3 333.476 1.943 40 0 EDABHN CN(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000073743034 441349212 /nfs/dbraw/zinc/34/92/12/441349212.db2.gz QOPIULOKISZZDL-UHFFFAOYSA-N 0 3 332.173 1.205 40 0 EDABHN CCOC(=O)C[C@H](NC(=O)CC1CCN(C)CC1)c1ccccn1 ZINC000087493496 441492380 /nfs/dbraw/zinc/49/23/80/441492380.db2.gz WEVGKYMJOWUIKX-INIZCTEOSA-N 0 3 333.432 1.924 40 0 EDABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1 ZINC000108528815 441460842 /nfs/dbraw/zinc/46/08/42/441460842.db2.gz QMCQKELAYPXFFP-UHFFFAOYSA-N 0 3 337.427 1.965 40 0 EDABHN CN1CCC(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)CC1 ZINC000096044392 441992957 /nfs/dbraw/zinc/99/29/57/441992957.db2.gz VGTXUPUYYFNVOU-MRXNPFEDSA-N 0 3 332.448 1.365 40 0 EDABHN O=C1N(c2cncnc2)CC[C@]12CCCN(CC1CCOCC1)C2 ZINC000096048726 441996143 /nfs/dbraw/zinc/99/61/43/441996143.db2.gz ONMPEJQXGCKNGO-SFHVURJKSA-N 0 3 330.432 1.722 40 0 EDABHN Cn1cc(CN2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cn1 ZINC000096038489 441984016 /nfs/dbraw/zinc/98/40/16/441984016.db2.gz MORZTYDUPRSVRM-INIZCTEOSA-N 0 3 330.432 1.047 40 0 EDABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2 ZINC000096038704 441985997 /nfs/dbraw/zinc/98/59/97/441985997.db2.gz MOOPUHNMTUQMMJ-GDBMZVCRSA-N 0 3 339.461 1.195 40 0 EDABHN COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 ZINC000096057487 442004916 /nfs/dbraw/zinc/00/49/16/442004916.db2.gz VMNMUBZKBJXHOA-BZUAXINKSA-N 0 3 338.473 1.941 40 0 EDABHN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](OCCN(C)C)CC[C@@H]32)cn1 ZINC000096065753 442013697 /nfs/dbraw/zinc/01/36/97/442013697.db2.gz CQNWFKQRSVZWNY-GVDBMIGSSA-N 0 3 333.432 1.340 40 0 EDABHN Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CCN2Cc2ccco2)cn1 ZINC000096061725 442010139 /nfs/dbraw/zinc/01/01/39/442010139.db2.gz VDAAOLGJWXVVIO-MOPGFXCFSA-N 0 3 343.475 1.446 40 0 EDABHN Cc1nc(CN2CC[C@]3(C2)COCCN([C@@H]2CCOC2)C3)cs1 ZINC000096070373 442018552 /nfs/dbraw/zinc/01/85/52/442018552.db2.gz DSQPXAREROMCBL-IAGOWNOFSA-N 0 3 337.489 1.765 40 0 EDABHN O=C(NCc1cccnc1)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 ZINC000096110071 442036114 /nfs/dbraw/zinc/03/61/14/442036114.db2.gz DOLORBNFTYDIAL-SJLPKXTDSA-N 0 3 327.384 1.439 40 0 EDABHN CCOCC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 ZINC000096228145 442096102 /nfs/dbraw/zinc/09/61/02/442096102.db2.gz RIEFVPZVOFJOFQ-UHFFFAOYSA-N 0 3 337.464 1.102 40 0 EDABHN Cc1cccc(CN2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)n1 ZINC000096224184 442092373 /nfs/dbraw/zinc/09/23/73/442092373.db2.gz YBEUDMWVBQYCER-LJQANCHMSA-N 0 3 344.459 1.293 40 0 EDABHN COCCN1CCOC[C@@]2(CC[C@H](CN(C)Cc3cccnc3)O2)C1 ZINC000096160647 442050228 /nfs/dbraw/zinc/05/02/28/442050228.db2.gz FNNWWUWDPQERJP-RTBURBONSA-N 0 3 349.475 1.410 40 0 EDABHN Cc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)o1 ZINC000096160163 442051071 /nfs/dbraw/zinc/05/10/71/442051071.db2.gz BIQQNBMFXMHLAR-KRWDZBQOSA-N 0 3 348.443 1.675 40 0 EDABHN CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096182572 442055764 /nfs/dbraw/zinc/05/57/64/442055764.db2.gz IVUQRARAZFMTCB-ZACQAIPSSA-N 0 3 348.516 1.027 40 0 EDABHN CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccco3)C2)O1 ZINC000096206483 442080163 /nfs/dbraw/zinc/08/01/63/442080163.db2.gz XBNWROZHWJWTAX-DZGCQCFKSA-N 0 3 328.434 1.342 40 0 EDABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21)N1CCCO1 ZINC000096207028 442080249 /nfs/dbraw/zinc/08/02/49/442080249.db2.gz BOWPRQOEBAHIBS-DJIMGWMZSA-N 0 3 331.416 1.473 40 0 EDABHN O=C(CN1CCCC1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257323233 443147080 /nfs/dbraw/zinc/14/70/80/443147080.db2.gz WJGJXEGIJSPBBS-HXUWFJFHSA-N 0 3 343.471 1.104 40 0 EDABHN CN(C)CCOc1cccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257280042 443127987 /nfs/dbraw/zinc/12/79/87/443127987.db2.gz OJFPOPWVGQYLPB-HKUYNNGSSA-N 0 3 348.443 1.383 40 0 EDABHN O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cccc(F)c1 ZINC000257329185 443150268 /nfs/dbraw/zinc/15/02/68/443150268.db2.gz XIVSWWCJJHGWKK-BZUAXINKSA-N 0 3 342.436 1.482 40 0 EDABHN NC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242620141 443211009 /nfs/dbraw/zinc/21/10/09/443211009.db2.gz PUTKWDGOBAMMIB-XHSDSOJGSA-N 0 3 336.844 1.936 40 0 EDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306130742 444285638 /nfs/dbraw/zinc/28/56/38/444285638.db2.gz JOHILYODECFVKI-NEPJUHHUSA-N 0 3 327.388 1.068 40 0 EDABHN C[C@@]1(NCCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 ZINC000575423161 447857604 /nfs/dbraw/zinc/85/76/04/447857604.db2.gz YMPJFDURSBYXJW-CQSZACIVSA-N 0 3 327.475 1.140 40 0 EDABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1 ZINC000585097875 448682814 /nfs/dbraw/zinc/68/28/14/448682814.db2.gz SLWIXUAIDYDPMU-INIZCTEOSA-N 0 3 330.407 1.927 40 0 EDABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 ZINC000585099796 448684903 /nfs/dbraw/zinc/68/49/03/448684903.db2.gz AWJJHGOEKNGKJV-MJGOQNOKSA-N 0 3 346.475 1.946 40 0 EDABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 ZINC000585285192 448731411 /nfs/dbraw/zinc/73/14/11/448731411.db2.gz OZMOCBQMDOGXLO-AZUAARDMSA-N 0 3 340.423 1.414 40 0 EDABHN CN(CCC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)Cc1cccnc1 ZINC000257230407 536304697 /nfs/dbraw/zinc/30/46/97/536304697.db2.gz GCEICFLJSLUEKR-WMZOPIPTSA-N 0 3 333.432 1.046 40 0 EDABHN COc1c2c(cc3c1CN1C[C@H](O)[C@]34C=C[C@H](OC)C[C@H]14)OCO2 ZINC000003978345 210097364 /nfs/dbraw/zinc/09/73/64/210097364.db2.gz QAHZAHIPKNLGAS-INKHSBHDSA-N 0 3 331.368 1.195 40 0 in-vitro EDABHN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257215666 244167794 /nfs/dbraw/zinc/16/77/94/244167794.db2.gz CRDMKYKCQYQNGD-IBGZPJMESA-N 0 3 342.395 1.466 40 0 EDABHN CCN1CCC(N2CCC[C@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222801 244191426 /nfs/dbraw/zinc/19/14/26/244191426.db2.gz DUSOQJOJDIFIEA-SFHVURJKSA-N 0 3 331.464 1.734 40 0 EDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257270770 244377561 /nfs/dbraw/zinc/37/75/61/244377561.db2.gz MVPACKHUWOIGBO-QGZVFWFLSA-N 0 3 329.444 1.414 40 0 EDABHN CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CN ZINC000079392922 217219588 /nfs/dbraw/zinc/21/95/88/217219588.db2.gz AFXLMVJKLZNEJR-UHFFFAOYSA-N 0 3 333.432 1.842 40 0 EDABHN NCC(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079412613 217222400 /nfs/dbraw/zinc/22/24/00/217222400.db2.gz ZZZVBQLVKCCZIG-UHFFFAOYSA-N 0 3 345.443 1.985 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079428175 217223652 /nfs/dbraw/zinc/22/36/52/217223652.db2.gz NWDZJCVJRLHSSM-INIZCTEOSA-N 0 3 333.432 1.887 40 0 EDABHN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C1CCN(C)CC1 ZINC000257260630 295392055 /nfs/dbraw/zinc/39/20/55/295392055.db2.gz LDRKNYWWLFIMTB-SFHVURJKSA-N 0 3 331.460 1.995 40 0 EDABHN Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525885 441458984 /nfs/dbraw/zinc/45/89/84/441458984.db2.gz NDIOSXSUMRLJBH-AEFFLSMTSA-N 0 3 332.448 1.271 40 0 EDABHN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108531967 441460178 /nfs/dbraw/zinc/46/01/78/441460178.db2.gz SYBDUMTWVVUHHZ-WMZOPIPTSA-N 0 3 334.464 1.483 40 0 EDABHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CC1)C2 ZINC000096050201 441998172 /nfs/dbraw/zinc/99/81/72/441998172.db2.gz ZMTQZWHLUQAROK-SFHVURJKSA-N 0 3 328.416 1.131 40 0 EDABHN O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096040762 441986484 /nfs/dbraw/zinc/98/64/84/441986484.db2.gz LKSHHUSPFHDACY-OAGGEKHMSA-N 0 3 339.399 1.205 40 0 EDABHN Cn1cc(CN2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)cn1 ZINC000096185522 442059286 /nfs/dbraw/zinc/05/92/86/442059286.db2.gz ZBWXDWIHDJIDFL-HRCADAONSA-N 0 3 328.420 1.159 40 0 EDABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)o1 ZINC000096185494 442059761 /nfs/dbraw/zinc/05/97/61/442059761.db2.gz ZACGPJULOWWTHL-JLJPHGGASA-N 0 3 345.399 1.843 40 0 EDABHN CC(C)N(C)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 ZINC000096197559 442071551 /nfs/dbraw/zinc/07/15/51/442071551.db2.gz QPMMWOMJKAOFJA-UHFFFAOYSA-N 0 3 347.488 1.946 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)Cc2nnn(C)c21 ZINC000096198536 442072403 /nfs/dbraw/zinc/07/24/03/442072403.db2.gz CUAHIMKQAJDPGB-GJZGRUSLSA-N 0 3 347.463 1.175 40 0 EDABHN CN(C)[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cnn(C)c1 ZINC000096200919 442074837 /nfs/dbraw/zinc/07/48/37/442074837.db2.gz RATYLMYYLSLCIG-CVEARBPZSA-N 0 3 332.473 1.798 40 0 EDABHN CN(C)CCN1CCOC[C@@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096229385 442096395 /nfs/dbraw/zinc/09/63/95/442096395.db2.gz GAOWKCAYUZYYON-KRWDZBQOSA-N 0 3 339.505 1.213 40 0 EDABHN CC(C)CN1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000096230256 442097480 /nfs/dbraw/zinc/09/74/80/442097480.db2.gz BTWBYENQPHYNKG-UHFFFAOYSA-N 0 3 336.505 1.908 40 0 EDABHN Cc1cc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)c(C)o1 ZINC000096249256 442102755 /nfs/dbraw/zinc/10/27/55/442102755.db2.gz QEWJOMDRUNQROY-ROUUACIJSA-N 0 3 349.475 1.763 40 0 EDABHN C(CN1CCCC1)OCc1nnn2c1CN(C[C@@H]1CCOC1)CCC2 ZINC000096258990 442107241 /nfs/dbraw/zinc/10/72/41/442107241.db2.gz WMBDJHMZAZCBOY-INIZCTEOSA-N 0 3 349.479 1.133 40 0 EDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 ZINC000257290534 443133325 /nfs/dbraw/zinc/13/33/25/443133325.db2.gz QDISTQUFOXHAHQ-KRWDZBQOSA-N 0 3 343.431 1.927 40 0 EDABHN O=C(CN1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000257291728 443133532 /nfs/dbraw/zinc/13/35/32/443133532.db2.gz QIJJQDPDXOYXMT-VQFNDLOPSA-N 0 3 330.428 1.635 40 0 EDABHN CNc1ncccc1CN1CC[C@@H]2OCC(=O)N(CC(C)C)[C@H]2CC1 ZINC000257292396 443134365 /nfs/dbraw/zinc/13/43/65/443134365.db2.gz QLGYFDDTRRYBHL-IRXDYDNUSA-N 0 3 346.475 1.971 40 0 EDABHN Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)C4(N)CCCC4)C3)nc21 ZINC000257302889 443138785 /nfs/dbraw/zinc/13/87/85/443138785.db2.gz SEVVIYWMRRDQQX-GFCCVEGCSA-N 0 3 342.447 1.528 40 0 EDABHN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CN)c1 ZINC000257279488 443128458 /nfs/dbraw/zinc/12/84/58/443128458.db2.gz OGWVZKLKROXRRH-OAHLLOKOSA-N 0 3 341.415 1.747 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306126103 444285222 /nfs/dbraw/zinc/28/52/22/444285222.db2.gz DNACZGGXNRWKSQ-KGLIPLIRSA-N 0 3 343.406 1.471 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306127547 444285835 /nfs/dbraw/zinc/28/58/35/444285835.db2.gz GBNHLNNBTXDALT-KBPBESRZSA-N 0 3 329.404 1.314 40 0 EDABHN Cc1nc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)c[nH]1 ZINC000585097417 448681037 /nfs/dbraw/zinc/68/10/37/448681037.db2.gz LMDRULDPMSGVMU-OAHLLOKOSA-N 0 3 342.447 1.815 40 0 EDABHN Cc1nccc(C[C@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382225 449220240 /nfs/dbraw/zinc/22/02/40/449220240.db2.gz LPFMDDXDHJBZDB-NCXUSEDFSA-N 0 3 345.418 1.614 40 0 biogenic,in-vitro EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065019 282109278 /nfs/dbraw/zinc/10/92/78/282109278.db2.gz DPBVLBJZRJBCRS-SJLPKXTDSA-N 0 3 348.447 1.066 40 0 EDABHN c1c(CC2(NCC3CCCCC3)COC2)noc1CN1CCOCC1 ZINC000067898379 215245223 /nfs/dbraw/zinc/24/52/23/215245223.db2.gz NIASXUWKTSLCHC-UHFFFAOYSA-N 0 3 349.475 1.988 40 0 biogenic,in-vitro EDABHN NC(=O)CCN1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257292699 283285413 /nfs/dbraw/zinc/28/54/13/283285413.db2.gz QMPLNMJLWAJYQS-WMLDXEAASA-N 0 3 346.427 1.962 40 0 EDABHN CNCC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360925 216167598 /nfs/dbraw/zinc/16/75/98/216167598.db2.gz HXEMAVOCUOJFJP-GFCCVEGCSA-N 0 3 332.433 1.868 40 0 EDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 ZINC000072394825 216193227 /nfs/dbraw/zinc/19/32/27/216193227.db2.gz RKJWBTBHIXKZQT-KRWDZBQOSA-N 0 3 325.412 1.976 40 0 EDABHN CN(C)CCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000225814809 242050115 /nfs/dbraw/zinc/05/01/15/242050115.db2.gz SWLISOCXNRIYML-UHFFFAOYSA-N 0 3 345.440 1.050 40 0 EDABHN O=C(c1cnco1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257205801 244133529 /nfs/dbraw/zinc/13/35/29/244133529.db2.gz BAPJSBXCOCEHEL-GOSISDBHSA-N 0 3 327.384 1.310 40 0 EDABHN O=C(c1cncs1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257231075 244213761 /nfs/dbraw/zinc/21/37/61/244213761.db2.gz GFCHZUSJUYUOHW-SFHVURJKSA-N 0 3 343.452 1.778 40 0 EDABHN CN(C)Cc1cnc(CC2CCN(Cc3ccnn3C)CC2)cn1 ZINC000257266834 244363378 /nfs/dbraw/zinc/36/33/78/244363378.db2.gz MESOFQPYQGPWGX-UHFFFAOYSA-N 0 3 328.464 1.726 40 0 EDABHN Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)o1 ZINC000019748091 212061214 /nfs/dbraw/zinc/06/12/14/212061214.db2.gz KPCLZZVNZDTIPF-OAHLLOKOSA-N 0 3 348.447 1.356 40 0 EDABHN CC[C@H](CN1CCCCC1)NC(=O)C=C1NNC(=O)[C@H]2C=CC=C[C@H]12 ZINC000012362934 211356284 /nfs/dbraw/zinc/35/62/84/211356284.db2.gz UAKPYRQPXYEEHT-PMPSAXMXSA-N 0 3 344.459 1.601 40 0 EDABHN CCN(CC)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 ZINC000096197554 218666795 /nfs/dbraw/zinc/66/67/95/218666795.db2.gz WJCWTOLTOSIRFI-UHFFFAOYSA-N 0 3 347.488 1.948 40 0 EDABHN CC(C)CN1C[C@@H]2CN(S(=O)(=O)C(C)C)CCN2C(C)(C)C1 ZINC000514289887 257845700 /nfs/dbraw/zinc/84/57/00/257845700.db2.gz PMUAOIASGIDOOI-OAHLLOKOSA-N 0 3 331.526 1.461 40 0 biogenic,in-vitro EDABHN Cc1c(Cl)cccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013672038 441163497 /nfs/dbraw/zinc/16/34/97/441163497.db2.gz KRDDBOYFNNBJTL-UHFFFAOYSA-N 0 3 347.868 1.092 40 0 EDABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536516 441462024 /nfs/dbraw/zinc/46/20/24/441462024.db2.gz MGADSNVINHDKGA-GOEBONIOSA-N 0 3 338.402 1.890 40 0 EDABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096049478 441998753 /nfs/dbraw/zinc/99/87/53/441998753.db2.gz JCVPFMXOUAFIIZ-QGZVFWFLSA-N 0 3 337.489 1.409 40 0 EDABHN O=C([C@@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCOCC1 ZINC000096052224 442001516 /nfs/dbraw/zinc/00/15/16/442001516.db2.gz SUUDRIOWAKLZBP-KRWDZBQOSA-N 0 3 345.443 1.169 40 0 EDABHN Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C2CCCC2)C3)cn1 ZINC000096038804 441985148 /nfs/dbraw/zinc/98/51/48/441985148.db2.gz LBMCJPUAKWONEY-IEBWSBKVSA-N 0 3 344.459 1.825 40 0 EDABHN COCCNC(=O)[C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096041138 441988152 /nfs/dbraw/zinc/98/81/52/441988152.db2.gz YDMDDXIVPFMXQN-OKZBNKHCSA-N 0 3 332.444 1.329 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCOCC1 ZINC000096057234 442005079 /nfs/dbraw/zinc/00/50/79/442005079.db2.gz GLXIYSDWBCGAIM-NUJGCVRESA-N 0 3 345.443 1.025 40 0 EDABHN O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@@H]21)c1cccnc1 ZINC000096056213 442002471 /nfs/dbraw/zinc/00/24/71/442002471.db2.gz WIGRYQORBFZAQE-RYQLBKOJSA-N 0 3 341.411 1.942 40 0 EDABHN O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccoc3)CC[C@@H]21)c1cccnc1 ZINC000096056215 442002843 /nfs/dbraw/zinc/00/28/43/442002843.db2.gz UBXRAFMTRWNLCJ-OKZBNKHCSA-N 0 3 341.411 1.942 40 0 EDABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 ZINC000096111596 442036588 /nfs/dbraw/zinc/03/65/88/442036588.db2.gz WGRJZZBBBPDABA-INMHGKMJSA-N 0 3 346.452 1.704 40 0 biogenic,in-vitro EDABHN O=C([C@@H]1CCOC1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157573 442048125 /nfs/dbraw/zinc/04/81/25/442048125.db2.gz YJUDTJSGYGBTER-MRXNPFEDSA-N 0 3 329.444 1.933 40 0 EDABHN CN(C)C(=O)COC[C@@H]1CC2(CO1)CCN(Cc1cccnc1)CC2 ZINC000096208566 442082804 /nfs/dbraw/zinc/08/28/04/442082804.db2.gz MNABQBPFVBNTTG-KRWDZBQOSA-N 0 3 347.459 1.558 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@@H]2OC ZINC000096215110 442085741 /nfs/dbraw/zinc/08/57/41/442085741.db2.gz QXVJHFRJSBTFGW-ZNMIVQPWSA-N 0 3 325.478 1.619 40 0 EDABHN O=C(c1nccn2ccnc12)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450192 442134799 /nfs/dbraw/zinc/13/47/99/442134799.db2.gz FSYAADNGAMIQOG-RRFJBIMHSA-N 0 3 325.416 1.676 40 0 EDABHN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096251715 442104844 /nfs/dbraw/zinc/10/48/44/442104844.db2.gz GAPJWRQEHRINEP-BZSNNMDCSA-N 0 3 339.443 1.962 40 0 EDABHN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C1CCN(C)CC1 ZINC000257260629 443126676 /nfs/dbraw/zinc/12/66/76/443126676.db2.gz LDRKNYWWLFIMTB-GOSISDBHSA-N 0 3 331.460 1.995 40 0 EDABHN CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3sccc3C)C[C@H]12 ZINC000306142470 444287925 /nfs/dbraw/zinc/28/79/25/444287925.db2.gz XAFHWDAWFJBYLI-BFHYXJOUSA-N 0 3 344.502 1.443 40 0 EDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000298133561 444425396 /nfs/dbraw/zinc/42/53/96/444425396.db2.gz IZYRAGMRXBDXCD-LBPRGKRZSA-N 0 3 335.404 1.243 40 0 EDABHN O=C(Nc1ccccc1)[C@@H]1CC(=O)N=C(N2CCc3ccccc32)N1 ZINC000002355266 209842245 /nfs/dbraw/zinc/84/22/45/209842245.db2.gz HTXTYXHXNBIXIF-HNNXBMFYSA-N 0 3 334.379 1.932 40 0 EDABHN CNCC(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 ZINC000072360922 216167782 /nfs/dbraw/zinc/16/77/82/216167782.db2.gz VFMQLYHFWZEAIK-ZDUSSCGKSA-N 0 3 327.392 1.202 40 0 EDABHN CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(CC2(O)CCCCC2)C1 ZINC000072388822 216189884 /nfs/dbraw/zinc/18/98/84/216189884.db2.gz VYIKXJXSXNODIG-QGZVFWFLSA-N 0 3 334.464 1.818 40 0 EDABHN O=c1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394662 216193093 /nfs/dbraw/zinc/19/30/93/216193093.db2.gz BAYIBDOCVIXFOD-HNNXBMFYSA-N 0 3 325.416 1.755 40 0 EDABHN O=c1cc([C@H]2CC[N@@H+](Cc3cccnc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394662 216193097 /nfs/dbraw/zinc/19/30/97/216193097.db2.gz BAYIBDOCVIXFOD-HNNXBMFYSA-N 0 3 325.416 1.755 40 0 EDABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218095152 241297535 /nfs/dbraw/zinc/29/75/35/241297535.db2.gz KSJLTGNDNCCQGM-IRXDYDNUSA-N 0 3 346.452 1.539 40 0 EDABHN NC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218156962 241301048 /nfs/dbraw/zinc/30/10/48/241301048.db2.gz MHPHAHDETPUDMN-IKGGRYGDSA-N 0 3 346.408 1.011 40 0 EDABHN CS(=O)(=O)N1CCC(N2CCC(Cc3ccncc3)CC2)CC1 ZINC000257226101 244201468 /nfs/dbraw/zinc/20/14/68/244201468.db2.gz FJDWUBQBWDYVBW-UHFFFAOYSA-N 0 3 337.489 1.760 40 0 EDABHN O=C(CN1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000257256066 244280628 /nfs/dbraw/zinc/28/06/28/244280628.db2.gz KJYMTMQGTIDPKQ-BWTSREIZSA-N 0 3 344.455 1.772 40 0 EDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 ZINC000019709350 212055704 /nfs/dbraw/zinc/05/57/04/212055704.db2.gz YYXMEHFKDKSREE-HNNXBMFYSA-N 0 3 331.464 1.662 40 0 EDABHN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)[nH]n1 ZINC000019451831 212028987 /nfs/dbraw/zinc/02/89/87/212028987.db2.gz QFVXUZUDKVUMQP-MRXNPFEDSA-N 0 3 340.431 1.946 40 0 EDABHN COc1ncccc1CN1C[C@@H]2CN(c3ncccn3)CC[C@@H]2C1 ZINC000096246204 274170384 /nfs/dbraw/zinc/17/03/84/274170384.db2.gz GKJJHBZLWLIMBF-GDBMZVCRSA-N 0 3 325.416 1.839 40 0 EDABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193710 277269168 /nfs/dbraw/zinc/26/91/68/277269168.db2.gz KDGARTSPQVYESW-RWMBFGLXSA-N 0 3 348.262 1.551 40 0 EDABHN CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000253395213 278340034 /nfs/dbraw/zinc/34/00/34/278340034.db2.gz BRJGIASNLUVTRY-HNNXBMFYSA-N 0 3 329.510 1.359 40 0 biogenic,in-vitro EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnn3C)CCO2)n1 ZINC000257343696 280537085 /nfs/dbraw/zinc/53/70/85/280537085.db2.gz ZUAWRBHWBRQYMM-MRXNPFEDSA-N 0 3 329.404 1.403 40 0 EDABHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 ZINC000044883455 440898888 /nfs/dbraw/zinc/89/88/88/440898888.db2.gz VEQHBYOLIKQWLU-CQSZACIVSA-N 0 3 339.867 1.861 40 0 EDABHN CN1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019082889 441254583 /nfs/dbraw/zinc/25/45/83/441254583.db2.gz GEOSDODXIVTPDD-HNAYVOBHSA-N 0 3 329.444 1.578 40 0 EDABHN O=C(N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1)N1CCOCC1 ZINC000107196299 441403130 /nfs/dbraw/zinc/40/31/30/441403130.db2.gz SMVVZPUNZOYQFD-IYBDPMFKSA-N 0 3 333.407 1.642 40 0 EDABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)o1 ZINC000108526109 441459154 /nfs/dbraw/zinc/45/91/54/441459154.db2.gz UUADHUHXSDFCBS-AWEZNQCLSA-N 0 3 342.461 1.651 40 0 EDABHN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(OC)nc2)cc1 ZINC000077261923 441742849 /nfs/dbraw/zinc/74/28/49/441742849.db2.gz FQCYHRSNFAXDDO-PSBWJHGTSA-N 0 3 344.411 1.466 40 0 biogenic,in-vitro EDABHN COc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC000096055014 442002791 /nfs/dbraw/zinc/00/27/91/442002791.db2.gz ARRYSNRQDNUHPZ-SJLPKXTDSA-N 0 3 340.427 1.823 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCCC1 ZINC000096057212 442004887 /nfs/dbraw/zinc/00/48/87/442004887.db2.gz VVFHWRZEEUNDTB-NUJGCVRESA-N 0 3 329.444 1.789 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)cn1 ZINC000096061167 442008022 /nfs/dbraw/zinc/00/80/22/442008022.db2.gz BIKRWWBTWYOLKN-INIZCTEOSA-N 0 3 332.448 1.460 40 0 EDABHN CN(C)C(=O)CO[C@H]1CO[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000096072344 442019210 /nfs/dbraw/zinc/01/92/10/442019210.db2.gz UBXRWUZKDUZISX-SJLPKXTDSA-N 0 3 336.407 1.664 40 0 EDABHN CCN1CCO[C@@H]2CN(C(=O)COc3ccccc3OC)C[C@@H]2C1 ZINC000096107968 442031229 /nfs/dbraw/zinc/03/12/29/442031229.db2.gz XZVQYDVLDQYXQU-WMLDXEAASA-N 0 3 334.416 1.253 40 0 EDABHN CN1CCC2(C[C@H](COCC3CC3)N(S(=O)(=O)C3CC3)C2)CC1 ZINC000096219610 442090948 /nfs/dbraw/zinc/09/09/48/442090948.db2.gz IOXDKLAPUAVURY-OAHLLOKOSA-N 0 3 342.505 1.692 40 0 EDABHN C[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409924 442046159 /nfs/dbraw/zinc/04/61/59/442046159.db2.gz WXKCFDPILGZOSE-QWHCGFSZSA-N 0 3 325.453 1.972 40 0 EDABHN Cc1ccc(C(=O)N2CCC3(CCN(CCN(C)C)C3=O)CC2)cn1 ZINC000096157753 442048200 /nfs/dbraw/zinc/04/82/00/442048200.db2.gz VUHPLIFVYHWGPY-UHFFFAOYSA-N 0 3 344.459 1.406 40 0 EDABHN O=C(Cc1ccccc1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 ZINC000096158977 442049561 /nfs/dbraw/zinc/04/95/61/442049561.db2.gz IDTHPNBHCYGTEP-GOSISDBHSA-N 0 3 344.455 1.711 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2nnn(C)c21 ZINC000096198538 442072176 /nfs/dbraw/zinc/07/21/76/442072176.db2.gz CUAHIMKQAJDPGB-CABCVRRESA-N 0 3 347.463 1.175 40 0 EDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccnnc1 ZINC000096215000 442086384 /nfs/dbraw/zinc/08/63/84/442086384.db2.gz WIFDNCXANKGBIF-PBHICJAKSA-N 0 3 344.440 1.417 40 0 EDABHN O=C(c1ccoc1)N1CC[C@H]2OCCN(CCN3CCCC3)[C@H]2CC1 ZINC000096249368 442103011 /nfs/dbraw/zinc/10/30/11/442103011.db2.gz NARFXCAGVUEGMS-ZWKOTPCHSA-N 0 3 347.459 1.681 40 0 EDABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CN1CCOCC1 ZINC000248098423 442881733 /nfs/dbraw/zinc/88/17/33/442881733.db2.gz YZRQMPQBKRVBBJ-SJLPKXTDSA-N 0 3 329.444 1.462 40 0 EDABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125016 442883194 /nfs/dbraw/zinc/88/31/94/442883194.db2.gz OJPUKMKVQWLMGV-APWZRJJASA-N 0 3 348.443 1.727 40 0 EDABHN O=c1ccn([C@H]2CCN(CCOc3ccccc3)CC[C@@H]2O)c(=O)[nH]1 ZINC000257305702 443139550 /nfs/dbraw/zinc/13/95/50/443139550.db2.gz SRCKFFSERZOFHO-HOTGVXAUSA-N 0 3 345.399 1.026 40 0 EDABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)N2CCCCC2)c1 ZINC000257200682 443124509 /nfs/dbraw/zinc/12/45/09/443124509.db2.gz AEMDNNQJWYBDIP-QGZVFWFLSA-N 0 3 344.459 1.005 40 0 EDABHN COc1ccc(CN2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000306130294 444285428 /nfs/dbraw/zinc/28/54/28/444285428.db2.gz JBPGEMIVJPEYFC-CGTJXYLNSA-N 0 3 330.428 1.764 40 0 EDABHN Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCCC2)no1 ZINC000585094596 448678151 /nfs/dbraw/zinc/67/81/51/448678151.db2.gz DICRVLWIEWRVDX-CQSZACIVSA-N 0 3 343.431 1.770 40 0 EDABHN CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccccc2)C1 ZINC000585281761 448730415 /nfs/dbraw/zinc/73/04/15/448730415.db2.gz QWTDSVGHHQDUTQ-IBGZPJMESA-N 0 3 332.444 1.903 40 0 EDABHN CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072383027 216183613 /nfs/dbraw/zinc/18/36/13/216183613.db2.gz SSIVPYAVSRQDJP-ZDUSSCGKSA-N 0 3 326.404 1.459 40 0 EDABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218399618 241319941 /nfs/dbraw/zinc/31/99/41/241319941.db2.gz GURMLFBGOVMKKE-BZSNNMDCSA-N 0 3 331.437 1.872 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 ZINC000257200532 244118694 /nfs/dbraw/zinc/11/86/94/244118694.db2.gz ADSCMBWHAUYEGJ-INIZCTEOSA-N 0 3 329.404 1.963 40 0 EDABHN CC(=O)N1CCN(CCc2ccc(F)cc2)C[C@H](C(=O)N(C)C)C1 ZINC000257227210 244204794 /nfs/dbraw/zinc/20/47/94/244204794.db2.gz FODDAUDCKNFJGI-INIZCTEOSA-N 0 3 335.423 1.237 40 0 EDABHN O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257236075 244230517 /nfs/dbraw/zinc/23/05/17/244230517.db2.gz HARLFVFDZYELJX-OAHLLOKOSA-N 0 3 346.399 1.186 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC000257240345 244240629 /nfs/dbraw/zinc/24/06/29/244240629.db2.gz HTBXHDMMCVNJOG-CQSZACIVSA-N 0 3 340.427 1.784 40 0 EDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccc3ccccc3n2)C1 ZINC000257276204 244394287 /nfs/dbraw/zinc/39/42/87/244394287.db2.gz NSUBBQJWRWGTBO-INIZCTEOSA-N 0 3 326.444 1.687 40 0 EDABHN CN1CCC(C(=O)N2CCC(c3ccc4c(N)n[nH]c4n3)CC2)CC1 ZINC000019703364 212055400 /nfs/dbraw/zinc/05/54/00/212055400.db2.gz KGUBBWLOAIAJQM-UHFFFAOYSA-N 0 3 342.447 1.588 40 0 EDABHN COc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)cc(OC)c1OC ZINC000019575858 212046229 /nfs/dbraw/zinc/04/62/29/212046229.db2.gz DZDZQFGBRSXCJD-NWANDNLSSA-N 0 3 336.432 1.352 40 0 EDABHN C[C@@H](N)C(=O)N1[C@@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 ZINC000012088949 211289955 /nfs/dbraw/zinc/28/99/55/211289955.db2.gz JJGKMUOINUOBSS-ZMSWOTSGSA-N 0 3 328.416 1.268 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CC(=O)N2CCCCO2)C1 ZINC000096207451 218682184 /nfs/dbraw/zinc/68/21/84/218682184.db2.gz BVGWYINMBFDSMO-QAPCUYQASA-N 0 3 349.431 1.684 40 0 EDABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C ZINC000223276194 289153060 /nfs/dbraw/zinc/15/30/60/289153060.db2.gz LJHXVVIVDGVPLK-JKSUJKDBSA-N 0 3 329.473 1.954 40 0 EDABHN Cc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1C ZINC000013674397 441163749 /nfs/dbraw/zinc/16/37/49/441163749.db2.gz JWWFSPCRTRRXKH-AWEZNQCLSA-N 0 3 341.477 1.136 40 0 EDABHN COCCn1nnnc1[C@@H](C(C)C)N1CCN(C2CCCC2)CC1 ZINC000019446011 441257979 /nfs/dbraw/zinc/25/79/79/441257979.db2.gz AGSOBQVZGWFWEQ-MRXNPFEDSA-N 0 3 336.484 1.577 40 0 EDABHN Cn1cncc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108526789 441459615 /nfs/dbraw/zinc/45/96/15/441459615.db2.gz WYPBAFFDKNSARH-HNNXBMFYSA-N 0 3 342.447 1.836 40 0 EDABHN COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@@H]1CNCCO1 ZINC000139575947 441819963 /nfs/dbraw/zinc/81/99/63/441819963.db2.gz CPBHSHYQQLFAPW-ROUUACIJSA-N 0 3 339.407 1.523 40 0 in-vitro EDABHN COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@H]1CNCCO1 ZINC000139576094 441820026 /nfs/dbraw/zinc/82/00/26/441820026.db2.gz CPBHSHYQQLFAPW-MSOLQXFVSA-N 0 3 339.407 1.523 40 0 EDABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000096048617 441997150 /nfs/dbraw/zinc/99/71/50/441997150.db2.gz MZYQXZZHSHZZBV-LJQANCHMSA-N 0 3 339.443 1.830 40 0 EDABHN Cc1ccc(CNC[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)s1 ZINC000096059728 442007704 /nfs/dbraw/zinc/00/77/04/442007704.db2.gz JYMNFFOARIFADS-OAHLLOKOSA-N 0 3 348.472 1.745 40 0 EDABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccccn1)C2 ZINC000096060869 442008125 /nfs/dbraw/zinc/00/81/25/442008125.db2.gz FPSWXKCTRKDYCM-HNNXBMFYSA-N 0 3 344.463 1.371 40 0 EDABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1cccnc1)C2 ZINC000096059580 442008466 /nfs/dbraw/zinc/00/84/66/442008466.db2.gz PIESHTXWBUYTAW-UHFFFAOYSA-N 0 3 339.443 1.640 40 0 EDABHN COCCN1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 ZINC000096070228 442017033 /nfs/dbraw/zinc/01/70/33/442017033.db2.gz RINLRVSUPWHWCH-UHFFFAOYSA-N 0 3 333.432 1.230 40 0 EDABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076370 442021675 /nfs/dbraw/zinc/02/16/75/442021675.db2.gz FFMIJGCAFIQBMP-IBGZPJMESA-N 0 3 346.475 1.198 40 0 EDABHN CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccccc3)C2)O1 ZINC000096208308 442083956 /nfs/dbraw/zinc/08/39/56/442083956.db2.gz FXWQYNFQSDMZSJ-IAGOWNOFSA-N 0 3 338.473 1.749 40 0 EDABHN CN(C)C(=O)CN1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216449 442087586 /nfs/dbraw/zinc/08/75/86/442087586.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 0 3 345.487 1.942 40 0 EDABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096216996 442088586 /nfs/dbraw/zinc/08/85/86/442088586.db2.gz PMDLRIBYVDMEAB-KRWDZBQOSA-N 0 3 347.459 1.524 40 0 EDABHN COC[C@@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)N1C ZINC000096218864 442089302 /nfs/dbraw/zinc/08/93/02/442089302.db2.gz NCHVWAFGGOVFMV-AWEZNQCLSA-N 0 3 339.461 1.346 40 0 EDABHN c1coc(CN2CCCn3nnc(COCCN4CCCC4)c3C2)c1 ZINC000096258992 442107483 /nfs/dbraw/zinc/10/74/83/442107483.db2.gz MWMCJGZNTZSXMP-UHFFFAOYSA-N 0 3 345.447 1.889 40 0 EDABHN CC(=O)NC1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 ZINC000257313339 443143807 /nfs/dbraw/zinc/14/38/07/443143807.db2.gz URYOPKOIFCYQRC-UHFFFAOYSA-N 0 3 341.415 1.072 40 0 EDABHN Cc1c(CN2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)cnn1C ZINC000257319127 443145498 /nfs/dbraw/zinc/14/54/98/443145498.db2.gz VQWYQVYQBVGQDF-HYVNUMGLSA-N 0 3 326.448 1.865 40 0 EDABHN CCCN1CCN(C(=O)c2cc([C@@H]3CCCN(C)C3)nc(C)n2)CC1 ZINC000257284984 443130397 /nfs/dbraw/zinc/13/03/97/443130397.db2.gz PFDRLDWHTOEUAC-MRXNPFEDSA-N 0 3 345.491 1.762 40 0 EDABHN CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000245289672 443219878 /nfs/dbraw/zinc/21/98/78/443219878.db2.gz DJFCRFFWDDSKIX-YUFRHFIVSA-N 0 3 346.475 1.922 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000242688344 443211979 /nfs/dbraw/zinc/21/19/79/443211979.db2.gz VNHCISAJECAVFL-OUCADQQQSA-N 0 3 331.821 1.359 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306135890 444286776 /nfs/dbraw/zinc/28/67/76/444286776.db2.gz PDWBXKYTNXYWDK-UONOGXRCSA-N 0 3 343.406 1.471 40 0 EDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)NC2CCC2)[C@H]1O ZINC000514288991 448160563 /nfs/dbraw/zinc/16/05/63/448160563.db2.gz MQHLZNUMQUWXNO-OKZBNKHCSA-N 0 3 347.459 1.141 40 0 biogenic,in-vitro EDABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOC)C[C@@H]21 ZINC000585109611 448690178 /nfs/dbraw/zinc/69/01/78/448690178.db2.gz DEZNHUAXVXHRFX-JENIJYKNSA-N 0 3 348.443 1.182 40 0 EDABHN Cc1cc(NC(=O)CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000585286962 448732474 /nfs/dbraw/zinc/73/24/74/448732474.db2.gz PGLPCJFRHZZONC-DDUZABMNSA-N 0 3 345.399 1.730 40 0 EDABHN CN(C)Cc1cnn(-c2ccccc2C(=O)NC2CCN(C)CC2)c1 ZINC000257322537 282150973 /nfs/dbraw/zinc/15/09/73/282150973.db2.gz WGJRITXCUAZDFH-UHFFFAOYSA-N 0 3 341.459 1.758 40 0 EDABHN NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257199696 244113691 /nfs/dbraw/zinc/11/36/91/244113691.db2.gz AANFLRFQJRRJEJ-WCVJEAGWSA-N 0 3 337.395 1.229 40 0 EDABHN Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)CN)C2)ncn1 ZINC000257229659 244210575 /nfs/dbraw/zinc/21/05/75/244210575.db2.gz FZABATHYZXLANE-CYBMUJFWSA-N 0 3 329.404 1.488 40 0 EDABHN Cc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1 ZINC000257230199 244211282 /nfs/dbraw/zinc/21/12/82/244211282.db2.gz GBGVVEBANNHNAQ-CQSZACIVSA-N 0 3 329.347 1.291 40 0 EDABHN CCN(C(=O)CCn1c2ccccc2oc1=O)C1CCN(C)CC1 ZINC000019657493 212054447 /nfs/dbraw/zinc/05/44/47/212054447.db2.gz PXUYBBDUDBKLMA-UHFFFAOYSA-N 0 3 331.416 1.927 40 0 EDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393092 217219377 /nfs/dbraw/zinc/21/93/77/217219377.db2.gz OERQWKFTWWGTTF-HOCLYGCPSA-N 0 3 333.432 1.841 40 0 EDABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079412858 217221394 /nfs/dbraw/zinc/22/13/94/217221394.db2.gz KSFWCZYOIPKJBX-HOCLYGCPSA-N 0 3 333.432 1.983 40 0 EDABHN NCC(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079412556 217221664 /nfs/dbraw/zinc/22/16/64/217221664.db2.gz CGLDJYCTFUDCHQ-OAHLLOKOSA-N 0 3 331.416 1.595 40 0 EDABHN C[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412796 217222081 /nfs/dbraw/zinc/22/20/81/217222081.db2.gz OMNWNOIDDVJALA-HOCLYGCPSA-N 0 3 333.432 1.841 40 0 EDABHN COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096185804 286309589 /nfs/dbraw/zinc/30/95/89/286309589.db2.gz AIBJYLJMCYNCNY-GBESFXJTSA-N 0 3 332.444 1.759 40 0 EDABHN Nc1ncc(Br)nc1N1CCN[C@@H](c2ccccc2)C1 ZINC000022113816 441276857 /nfs/dbraw/zinc/27/68/57/441276857.db2.gz IQNZGGJWXBMSKX-LLVKDONJSA-N 0 3 334.221 1.972 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(Cc1nccs1)CCC2 ZINC000096058824 442006639 /nfs/dbraw/zinc/00/66/39/442006639.db2.gz ALXYKWXXSHFGCR-UHFFFAOYSA-N 0 3 336.465 1.219 40 0 EDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccco1)C2 ZINC000096060850 442008692 /nfs/dbraw/zinc/00/86/92/442008692.db2.gz UYAKZDNGXMQSHO-CQSZACIVSA-N 0 3 333.436 1.569 40 0 EDABHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000096064343 442013308 /nfs/dbraw/zinc/01/33/08/442013308.db2.gz UAKUXTHXUUKVSH-BHYGNILZSA-N 0 3 335.423 1.934 40 0 EDABHN O=C(NCc1cncc2c1CCN(C[C@@H]1CCOC1)C2)c1ccno1 ZINC000096067436 442015329 /nfs/dbraw/zinc/01/53/29/442015329.db2.gz XBFGJAADNAJSFG-ZDUSSCGKSA-N 0 3 342.399 1.394 40 0 EDABHN Fc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1F ZINC000096108283 442032018 /nfs/dbraw/zinc/03/20/18/442032018.db2.gz CYVVEHFWRPCUKD-QAPCUYQASA-N 0 3 338.398 1.745 40 0 EDABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)c2cccn2C)C1 ZINC000096188978 442066462 /nfs/dbraw/zinc/06/64/62/442066462.db2.gz NNSIYAKRCFHUIW-OAHLLOKOSA-N 0 3 345.447 1.072 40 0 EDABHN Cc1cc(C(=O)N2CCN(CCN(C)C)c3nc(C)ccc3C2)no1 ZINC000096199016 442072945 /nfs/dbraw/zinc/07/29/45/442072945.db2.gz UWJPQDMRFBKAAT-UHFFFAOYSA-N 0 3 343.431 1.710 40 0 EDABHN COCCN1CC[C@]2(C1)COCCN(C(=O)Cc1ccccc1)C2 ZINC000096201997 442078013 /nfs/dbraw/zinc/07/80/13/442078013.db2.gz VCHGHNRUGASXKE-LJQANCHMSA-N 0 3 332.444 1.426 40 0 EDABHN COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)N1C ZINC000096218866 442089045 /nfs/dbraw/zinc/08/90/45/442089045.db2.gz NCHVWAFGGOVFMV-CQSZACIVSA-N 0 3 339.461 1.346 40 0 EDABHN Cc1nc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)cs1 ZINC000096245110 442101034 /nfs/dbraw/zinc/10/10/34/442101034.db2.gz SNHWRIVWVLDBBE-ZFWWWQNUSA-N 0 3 331.445 1.275 40 0 EDABHN O=C(c1ccncc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257228550 443125611 /nfs/dbraw/zinc/12/56/11/443125611.db2.gz FUGMFEDEKBVYLK-HNNXBMFYSA-N 0 3 325.359 1.390 40 0 EDABHN CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCOCc3ccccc3)C[C@H]12 ZINC000306128476 444285492 /nfs/dbraw/zinc/28/54/92/444285492.db2.gz HBEMCUFZDVOEQL-KZNAEPCWSA-N 0 3 347.459 1.421 40 0 EDABHN O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284370 448731561 /nfs/dbraw/zinc/73/15/61/448731561.db2.gz XJAWDMUTRRGOIK-IRXDYDNUSA-N 0 3 343.370 1.320 40 0 EDABHN Cc1cc(OC[C@@]2(O)COCCN(C3CCOCC3)C2)ccc1F ZINC000585284164 448731947 /nfs/dbraw/zinc/73/19/47/448731947.db2.gz VLDGWAASUSMFPY-SFHVURJKSA-N 0 3 339.407 1.755 40 0 EDABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc(Cn3cccn3)cc2)[C@@H]1O ZINC000585291566 448735471 /nfs/dbraw/zinc/73/54/71/448735471.db2.gz QEVJDKXWQXCTFM-KURKYZTESA-N 0 3 331.416 1.138 40 0 EDABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCCC2)C1 ZINC000585287353 485898876 /nfs/dbraw/zinc/89/88/76/485898876.db2.gz NEOAIQWAKGDKPO-LJQANCHMSA-N 0 3 335.444 1.742 40 0 EDABHN O=C(CN1CCCC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292007 212012161 /nfs/dbraw/zinc/01/21/61/212012161.db2.gz SQZYSYGLQHNKOE-OAHLLOKOSA-N 0 3 344.459 1.381 40 0 EDABHN CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392913 217218994 /nfs/dbraw/zinc/21/89/94/217218994.db2.gz HQQBSBJDMPDQRP-INIZCTEOSA-N 0 3 333.432 1.985 40 0 EDABHN CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019460465 278409465 /nfs/dbraw/zinc/40/94/65/278409465.db2.gz DMAPTFUBGTZCKK-JSGCOSHPSA-N 0 3 344.415 1.128 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039561 289170700 /nfs/dbraw/zinc/17/07/00/289170700.db2.gz IUALFUOKFZVZTC-IEBWSBKVSA-N 0 3 347.459 1.671 40 0 EDABHN CN1C[C@@H](C(=O)N2CCN(C)CC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019589769 290262295 /nfs/dbraw/zinc/26/22/95/290262295.db2.gz VHVDUIRHMCBMNM-FXAWDEMLSA-N 0 3 341.455 1.138 40 0 EDABHN NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F ZINC000257213933 303365345 /nfs/dbraw/zinc/36/53/45/303365345.db2.gz CJTKAKBRSUGCGD-CQSZACIVSA-N 0 3 329.379 1.877 40 0 EDABHN Cc1nccn1CC1(O)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000019287933 441255208 /nfs/dbraw/zinc/25/52/08/441255208.db2.gz CIKFPAWFCMJKNL-QGZVFWFLSA-N 0 3 333.407 1.891 40 0 EDABHN CN1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000113948222 441629207 /nfs/dbraw/zinc/62/92/07/441629207.db2.gz CXHKHSPMTNAPOG-UHFFFAOYSA-N 0 3 345.852 1.536 40 0 EDABHN O=C([C@@H]1CN(Cc2ccccn2)CC12CCOCC2)N1CCCC1 ZINC000096052188 442001488 /nfs/dbraw/zinc/00/14/88/442001488.db2.gz RXHISDHZDGWQBM-KRWDZBQOSA-N 0 3 329.444 1.933 40 0 EDABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1cccnc1)C2 ZINC000096060871 442007920 /nfs/dbraw/zinc/00/79/20/442007920.db2.gz RKSMHXHVQMJDIS-INIZCTEOSA-N 0 3 344.463 1.371 40 0 EDABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccsc2)C3)cn1 ZINC000096061009 442007928 /nfs/dbraw/zinc/00/79/28/442007928.db2.gz XOPNEUGQHXSVJF-CYBMUJFWSA-N 0 3 330.417 1.429 40 0 EDABHN Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096108433 442032528 /nfs/dbraw/zinc/03/25/28/442032528.db2.gz DEOHDTMRMOCRCM-QAPCUYQASA-N 0 3 345.468 1.965 40 0 EDABHN CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@H]2O1 ZINC000096220472 442091537 /nfs/dbraw/zinc/09/15/37/442091537.db2.gz HWHAFXVUJRAFRS-YXJHDRRASA-N 0 3 325.412 1.960 40 0 EDABHN CC(C)NC(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224910 442094164 /nfs/dbraw/zinc/09/41/64/442094164.db2.gz NOOPGQQIXAYAOQ-INIZCTEOSA-N 0 3 334.464 1.706 40 0 EDABHN COCCN(C)c1ccc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cn21 ZINC000096146127 442044650 /nfs/dbraw/zinc/04/46/50/442044650.db2.gz XXZPTYJEVZWMSL-KRWDZBQOSA-N 0 3 344.459 1.798 40 0 EDABHN Cc1noc(C)c1CN1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096160146 442051270 /nfs/dbraw/zinc/05/12/70/442051270.db2.gz NZRAULAUACTWSK-QGZVFWFLSA-N 0 3 345.443 1.918 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2nnn(C)c21 ZINC000096198540 442071597 /nfs/dbraw/zinc/07/15/97/442071597.db2.gz UESSVHBUMHBUIQ-HNNXBMFYSA-N 0 3 347.463 1.320 40 0 EDABHN C[C@H]1CN(Cc2cnn(C)c2)C[C@@]12CCN(Cc1cccnc1)C2=O ZINC000096201718 442076589 /nfs/dbraw/zinc/07/65/89/442076589.db2.gz RTMJJCNBPMSVII-KXBFYZLASA-N 0 3 339.443 1.686 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1ccco1)CC2 ZINC000096206321 442080676 /nfs/dbraw/zinc/08/06/76/442080676.db2.gz HZCRKGWNRPUQCT-MRXNPFEDSA-N 0 3 336.432 1.756 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)NCc1ccco1 ZINC000096208386 442083792 /nfs/dbraw/zinc/08/37/92/442083792.db2.gz IWADZKPSHZVZEJ-APWZRJJASA-N 0 3 341.411 1.830 40 0 EDABHN O=C(Cc1cccc(F)c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096209464 442084956 /nfs/dbraw/zinc/08/49/56/442084956.db2.gz GFSZTRSQEQGWTM-FUHWJXTLSA-N 0 3 332.419 1.937 40 0 EDABHN O=C(Nc1cccnc1)[C@H]1CO[C@@H]2CN(CCN3CCCCC3)C[C@H]12 ZINC000096215935 442087174 /nfs/dbraw/zinc/08/71/74/442087174.db2.gz HBBGFTRWKNNZOT-FGTMMUONSA-N 0 3 344.459 1.453 40 0 EDABHN CC(C)CN1c2ccccc2[C@]2(C[C@H]2C(=O)NCCN(C)C)C1=O ZINC000096243464 442100859 /nfs/dbraw/zinc/10/08/59/442100859.db2.gz GBNBIGZWGQKBBX-KXBFYZLASA-N 0 3 329.444 1.625 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(N)CN)cc1 ZINC000252516232 443040224 /nfs/dbraw/zinc/04/02/24/443040224.db2.gz QPHVQXMJYZQXFE-GVDBMIGSSA-N 0 3 334.416 1.730 40 0 EDABHN CNCC(=O)N1CCC2(CO[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000257289240 443132082 /nfs/dbraw/zinc/13/20/82/443132082.db2.gz PXSHTRIQKDDLKN-QGZVFWFLSA-N 0 3 332.444 1.855 40 0 EDABHN COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257316153 443144598 /nfs/dbraw/zinc/14/45/98/443144598.db2.gz VEJCDKCGIRBSFZ-BDXSIMOUSA-N 0 3 334.416 1.176 40 0 EDABHN O=C(Cc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257256608 443126810 /nfs/dbraw/zinc/12/68/10/443126810.db2.gz KMFGIFIMYWWEDR-INIZCTEOSA-N 0 3 339.386 1.319 40 0 EDABHN Cc1nc([C@H]2COCCN2C(=O)C2CC[NH+](C(C)C)CC2)cc(=O)[n-]1 ZINC000257334158 443152111 /nfs/dbraw/zinc/15/21/11/443152111.db2.gz YEUCPRSJRUDCQZ-MRXNPFEDSA-N 0 3 348.447 1.511 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 ZINC000257344406 443156449 /nfs/dbraw/zinc/15/64/49/443156449.db2.gz ZXBOFUFVRQXWKN-GOSISDBHSA-N 0 3 340.427 1.994 40 0 EDABHN O=C(NC[C@@H]1CC[C@]2(COCCN(CC3CC3)C2)O1)c1ccno1 ZINC000306132570 444286050 /nfs/dbraw/zinc/28/60/50/444286050.db2.gz LMNIQHYJJBGXEL-YOEHRIQHSA-N 0 3 335.404 1.064 40 0 EDABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306134092 444286791 /nfs/dbraw/zinc/28/67/91/444286791.db2.gz NDFFJBQZSJTZEE-UONOGXRCSA-N 0 3 341.415 1.458 40 0 EDABHN COc1ncccc1C(=O)N1CCOC[C@]2(CC[C@H](CN(C)C)O2)C1 ZINC000306141013 444287782 /nfs/dbraw/zinc/28/77/82/444287782.db2.gz VIZPACBTCWMLGO-KDOFPFPSSA-N 0 3 349.431 1.042 40 0 EDABHN CCCCN1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100086 448685113 /nfs/dbraw/zinc/68/51/13/448685113.db2.gz FKZNNYVWSSBDHV-INIZCTEOSA-N 0 3 330.494 1.678 40 0 EDABHN Cc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019234629 524339819 /nfs/dbraw/zinc/33/98/19/524339819.db2.gz GMIUEWVFFNYFPA-MRXNPFEDSA-N 0 3 336.439 1.989 40 0 EDABHN Cc1cc(=O)n2c(n1)NC(=NC[C@@H]1CCCO1)N[C@@H]2c1cccnc1 ZINC000101983206 219178117 /nfs/dbraw/zinc/17/81/17/219178117.db2.gz UYGMGFSNXFXIQK-ZFWWWQNUSA-N 0 3 340.387 1.044 40 0 EDABHN COCCNc1ccc(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072366100 216171358 /nfs/dbraw/zinc/17/13/58/216171358.db2.gz YYFDSVMXNXCFBS-AWEZNQCLSA-N 0 3 330.436 1.713 40 0 EDABHN CN(C)c1cncc(C2CCN(C(=O)[C@]3(C)CCCCN3)CC2)n1 ZINC000072367357 216174295 /nfs/dbraw/zinc/17/42/95/216174295.db2.gz JIUJQZAPXPRMIR-SFHVURJKSA-N 0 3 331.464 1.781 40 0 EDABHN CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC ZINC000012362741 211355883 /nfs/dbraw/zinc/35/58/83/211355883.db2.gz KGHVUHNHOMEUIX-CYBMUJFWSA-N 0 3 336.436 1.335 40 0 EDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)CCn1cncn1 ZINC000012366135 211357511 /nfs/dbraw/zinc/35/75/11/211357511.db2.gz IWFVVNDFPOAOMJ-HNNXBMFYSA-N 0 3 329.404 1.020 40 0 EDABHN CN1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1 ZINC000012195043 211317920 /nfs/dbraw/zinc/31/79/20/211317920.db2.gz UGINEQMJWJSSFX-LLVKDONJSA-N 0 3 344.381 1.991 40 0 EDABHN CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019460467 281399633 /nfs/dbraw/zinc/39/96/33/281399633.db2.gz DMAPTFUBGTZCKK-TZMCWYRMSA-N 0 3 344.415 1.128 40 0 EDABHN CC[NH+](CC)CCSc1nc2c([S-])n(C)c(=O)n(C)c-2n1 ZINC000001657097 440849782 /nfs/dbraw/zinc/84/97/82/440849782.db2.gz JRPZAKXCONYTBS-UHFFFAOYSA-N 0 3 327.479 1.763 40 0 EDABHN CC[NH+](CC)CCSc1nc2c([n-]1)c(=S)n(C)c(=O)n2C ZINC000001657097 440849788 /nfs/dbraw/zinc/84/97/88/440849788.db2.gz JRPZAKXCONYTBS-UHFFFAOYSA-N 0 3 327.479 1.763 40 0 EDABHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCOCC3)C2=O)cc1 ZINC000015084296 441196257 /nfs/dbraw/zinc/19/62/57/441196257.db2.gz MFMUCENLPBWLGP-OAHLLOKOSA-N 0 3 346.383 1.264 40 0 EDABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1 ZINC000015674207 441207585 /nfs/dbraw/zinc/20/75/85/441207585.db2.gz DFWFPGRBMFETDM-HIFRSBDPSA-N 0 3 329.404 1.334 40 0 biogenic,in-vitro EDABHN Nc1ncc(Br)nc1N1CCN[C@H](c2ccccc2)C1 ZINC000022113819 441276681 /nfs/dbraw/zinc/27/66/81/441276681.db2.gz IQNZGGJWXBMSKX-NSHDSACASA-N 0 3 334.221 1.972 40 0 EDABHN Cc1nc(CN2CC[C@@]3(C2)COCCN([C@H]2CCOC2)C3)cs1 ZINC000107781471 441429968 /nfs/dbraw/zinc/42/99/68/441429968.db2.gz DSQPXAREROMCBL-IRXDYDNUSA-N 0 3 337.489 1.765 40 0 EDABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CCOCC1 ZINC000108526284 441459244 /nfs/dbraw/zinc/45/92/44/441459244.db2.gz HZNYWWJHQOOTIH-IEBWSBKVSA-N 0 3 329.444 1.933 40 0 EDABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 ZINC000108527494 441460903 /nfs/dbraw/zinc/46/09/03/441460903.db2.gz VBOCJDFYVAOLRC-AWEZNQCLSA-N 0 3 339.461 1.144 40 0 EDABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096220717 442091558 /nfs/dbraw/zinc/09/15/58/442091558.db2.gz RBSQOBNQXMVWLY-OAHLLOKOSA-N 0 3 338.473 1.882 40 0 EDABHN COc1ncccc1CN1C[C@H](N2CCN(C)CC2)[C@@H]2OCCC[C@@H]21 ZINC000096185820 442061927 /nfs/dbraw/zinc/06/19/27/442061927.db2.gz WYFFVRZFLATUHI-OKZBNKHCSA-N 0 3 346.475 1.069 40 0 EDABHN CN(C)CCOC[C@H]1Cn2nccc2CN(Cc2ccccn2)C1 ZINC000096188969 442066260 /nfs/dbraw/zinc/06/62/60/442066260.db2.gz SAONKBMGJSGFMV-MRXNPFEDSA-N 0 3 329.448 1.488 40 0 EDABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)NCC1CC1 ZINC000096206622 442080762 /nfs/dbraw/zinc/08/07/62/442080762.db2.gz PEHQDNUBLMUSOG-KZNAEPCWSA-N 0 3 329.444 1.835 40 0 EDABHN Cn1cc(CN2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096245318 442100792 /nfs/dbraw/zinc/10/07/92/442100792.db2.gz OTIVIEXHLBRGBF-RDJZCZTQSA-N 0 3 328.391 1.650 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000257320003 443146235 /nfs/dbraw/zinc/14/62/35/443146235.db2.gz VUYGEVBLNGXRMR-CYBMUJFWSA-N 0 3 329.366 1.815 40 0 EDABHN O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000306123905 444284902 /nfs/dbraw/zinc/28/49/02/444284902.db2.gz BADMIHAQJBNFNS-IPMKNSEASA-N 0 3 337.423 1.958 40 0 EDABHN CN1C(=O)CO[C@H]2CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]21 ZINC000585284682 448731550 /nfs/dbraw/zinc/73/15/50/448731550.db2.gz VCIDKPLZIDTLEZ-CGBFIWBNSA-N 0 3 344.455 1.617 40 0 EDABHN CO[C@@H]1COC[C@@H](CNCc2cnn(-c3ccc(F)cc3)c2)[C@@H]1O ZINC000585287376 448733497 /nfs/dbraw/zinc/73/34/97/448733497.db2.gz ZMQSQTBXTHUDIZ-XYPHTWIQSA-N 0 3 335.379 1.123 40 0 EDABHN Cc1nccc(C[C@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382219 449220018 /nfs/dbraw/zinc/22/00/18/449220018.db2.gz LHMPQCKHZWTQGB-PSBWJHGTSA-N 0 3 345.418 1.614 40 0 biogenic,in-vitro EDABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 ZINC000072391685 216190959 /nfs/dbraw/zinc/19/09/59/216190959.db2.gz PPVXZDVVQPUDAT-CYBMUJFWSA-N 0 3 344.463 1.750 40 0 EDABHN c1cnc(-c2nnn(C[C@@H]3CCCN(Cc4ccncc4)C3)n2)cn1 ZINC000012338001 211350937 /nfs/dbraw/zinc/35/09/37/211350937.db2.gz XTNCZDWVQRYVJS-OAHLLOKOSA-N 0 3 336.403 1.437 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218203548 276392595 /nfs/dbraw/zinc/39/25/95/276392595.db2.gz ABGLCWRBJCVMQR-NEPJUHHUSA-N 0 3 347.278 1.253 40 0 EDABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218012849 278445048 /nfs/dbraw/zinc/44/50/48/278445048.db2.gz JBTQCEBIQQKOKJ-DVOMOZLQSA-N 0 3 340.445 1.419 40 0 EDABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 ZINC000253403851 279164078 /nfs/dbraw/zinc/16/40/78/279164078.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 0 3 329.488 1.649 40 0 biogenic,in-vitro EDABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1 ZINC000032251878 281098985 /nfs/dbraw/zinc/09/89/85/281098985.db2.gz YZRQMPQBKRVBBJ-WMZOPIPTSA-N 0 3 329.444 1.462 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039564 289170744 /nfs/dbraw/zinc/17/07/44/289170744.db2.gz RDAGUBQWWHPTKJ-MJGOQNOKSA-N 0 3 336.476 1.929 40 0 EDABHN COc1ccc2cc(CNCCCN3CCCC3=O)c(=O)[nH]c2c1 ZINC000013999240 441168668 /nfs/dbraw/zinc/16/86/68/441168668.db2.gz PJQUAYONCRZFQJ-UHFFFAOYSA-N 0 3 329.400 1.639 40 0 EDABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccncc3)CC2)C1 ZINC000108528705 441460972 /nfs/dbraw/zinc/46/09/72/441460972.db2.gz XLYKSLVPTRRXFW-INIZCTEOSA-N 0 3 332.448 1.866 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000096043427 441993022 /nfs/dbraw/zinc/99/30/22/441993022.db2.gz UIMOTVTYLQKQFD-KZNAEPCWSA-N 0 3 332.444 1.676 40 0 EDABHN Cc1ccsc1CN1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107588 442030977 /nfs/dbraw/zinc/03/09/77/442030977.db2.gz JIPKXAKLEYEEBN-YOEHRIQHSA-N 0 3 338.473 1.895 40 0 EDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccn2C)C1 ZINC000096188979 442066820 /nfs/dbraw/zinc/06/68/20/442066820.db2.gz NNSIYAKRCFHUIW-HNNXBMFYSA-N 0 3 345.447 1.072 40 0 EDABHN CN(C)S(=O)(=O)N1CCC2(C[C@@H](COCC3CC3)N(C)C2)CC1 ZINC000096207878 442081879 /nfs/dbraw/zinc/08/18/79/442081879.db2.gz BVOHDPJCHBKYRC-HNNXBMFYSA-N 0 3 345.509 1.006 40 0 EDABHN Cc1cccc(CN2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 ZINC000096249159 442101304 /nfs/dbraw/zinc/10/13/04/442101304.db2.gz SBLOFDLAPSCSAR-WMLDXEAASA-N 0 3 325.416 1.608 40 0 EDABHN c1cnc(NCc2noc3c2CN(CCN2CCCC2)CC3)nc1 ZINC000096259736 442107728 /nfs/dbraw/zinc/10/77/28/442107728.db2.gz LMASLBDUHQJWAX-UHFFFAOYSA-N 0 3 328.420 1.531 40 0 EDABHN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000247502075 442858109 /nfs/dbraw/zinc/85/81/09/442858109.db2.gz FTLLIAVMTYZRIY-FRFSOERESA-N 0 3 349.456 1.164 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC ZINC000252516395 443039950 /nfs/dbraw/zinc/03/99/50/443039950.db2.gz SIPVHLNMZGRCOT-GZBFAFLISA-N 0 3 345.848 1.749 40 0 EDABHN C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CN)[C@H]1CCCCC(=O)N2 ZINC000257321504 443145880 /nfs/dbraw/zinc/14/58/80/443145880.db2.gz WBYJSBVUIIVFFN-GJYPPUQNSA-N 0 3 329.444 1.606 40 0 EDABHN Cc1cc(N)cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 ZINC000257279330 443127023 /nfs/dbraw/zinc/12/70/23/443127023.db2.gz OGCMNGXWKALKLD-MRXNPFEDSA-N 0 3 346.431 1.275 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 ZINC000257280893 443127992 /nfs/dbraw/zinc/12/79/92/443127992.db2.gz OMVLXXFUVRESGD-INIZCTEOSA-N 0 3 342.399 1.193 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306135891 444286784 /nfs/dbraw/zinc/28/67/84/444286784.db2.gz PDWBXKYTNXYWDK-ZIAGYGMSSA-N 0 3 343.406 1.471 40 0 EDABHN CN(C)CCNc1nc(NC(=O)c2cccc(N)c2)cc(C2CC2)n1 ZINC000329026926 444450160 /nfs/dbraw/zinc/45/01/60/444450160.db2.gz PPNDJMJZKOWWKI-UHFFFAOYSA-N 0 3 340.431 1.006 40 0 EDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514289504 448160077 /nfs/dbraw/zinc/16/00/77/448160077.db2.gz MTPVTDJCCWAEDM-QZTJIDSGSA-N 0 3 330.476 1.043 40 0 biogenic,in-vitro EDABHN O=C(c1ccccc1)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585103125 448686818 /nfs/dbraw/zinc/68/68/18/448686818.db2.gz DJOFRACYYHXCQL-ROUUACIJSA-N 0 3 344.455 1.765 40 0 EDABHN CC(=O)N1CCC(N2CC[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585269417 448716994 /nfs/dbraw/zinc/71/69/94/448716994.db2.gz SRFFNKOWZUHBBF-IBGZPJMESA-N 0 3 332.444 1.822 40 0 EDABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1 ZINC000585097202 448681329 /nfs/dbraw/zinc/68/13/29/448681329.db2.gz IRWDLNRZVMTQEQ-INIZCTEOSA-N 0 3 330.407 1.927 40 0 EDABHN CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585098577 448684259 /nfs/dbraw/zinc/68/42/59/448684259.db2.gz ZLACSNDHFLFTCO-CQSZACIVSA-N 0 3 342.399 1.588 40 0 EDABHN O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585288120 448733202 /nfs/dbraw/zinc/73/32/02/448733202.db2.gz WSAKMAHDLNWSIL-RDJZCZTQSA-N 0 3 343.370 1.320 40 0 EDABHN O=C(CNCCCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 ZINC000035311455 213019468 /nfs/dbraw/zinc/01/94/68/213019468.db2.gz HDSZUQRZQVIRDM-UHFFFAOYSA-N 0 3 346.475 1.537 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 ZINC000218630547 241335074 /nfs/dbraw/zinc/33/50/74/241335074.db2.gz QPHVQXMJYZQXFE-ZACQAIPSSA-N 0 3 334.416 1.730 40 0 EDABHN O=C(c1cnco1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257205802 244133839 /nfs/dbraw/zinc/13/38/39/244133839.db2.gz BAPJSBXCOCEHEL-SFHVURJKSA-N 0 3 327.384 1.310 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 ZINC000257206634 244136571 /nfs/dbraw/zinc/13/65/71/244136571.db2.gz BEHIZKCGEWHPSX-HNNXBMFYSA-N 0 3 329.404 1.403 40 0 EDABHN Cc1nccnc1CC[C@H]1COCCN1C(=O)CN(C)C1CCCC1 ZINC000257236247 244230235 /nfs/dbraw/zinc/23/02/35/244230235.db2.gz HBIOMCMVORZLPO-KRWDZBQOSA-N 0 3 346.475 1.819 40 0 EDABHN CN(C)c1cnc(C[C@H]2CCCN(C(=O)C3(N)CCCC3)CC2)cn1 ZINC000257252587 244272411 /nfs/dbraw/zinc/27/24/11/244272411.db2.gz JVHPWBKZLFAQDG-HNNXBMFYSA-N 0 3 345.491 1.985 40 0 EDABHN CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581876 212047411 /nfs/dbraw/zinc/04/74/11/212047411.db2.gz IQHUNDHZBMQYAA-NVXWUHKLSA-N 0 3 344.459 1.373 40 0 EDABHN CCN1CCN(CCN2CCN3CCc4cccc(c43)C2=O)CC1 ZINC000019528199 212039772 /nfs/dbraw/zinc/03/97/72/212039772.db2.gz HNAUGMHDNAZWSK-UHFFFAOYSA-N 0 3 328.460 1.142 40 0 EDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252515631 257659512 /nfs/dbraw/zinc/65/95/12/257659512.db2.gz MHPHAHDETPUDMN-ZACQAIPSSA-N 0 3 346.408 1.011 40 0 EDABHN CC(=O)NCc1cncc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000257250327 278125084 /nfs/dbraw/zinc/12/50/84/278125084.db2.gz JMBWDLWUQMNWEB-SFHVURJKSA-N 0 3 345.447 1.261 40 0 EDABHN O=C(c1cnccn1)N1CCO[C@H]2CCN(C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108528502 441460613 /nfs/dbraw/zinc/46/06/13/441460613.db2.gz MHJWTUSHFYKBMR-SZMVWBNQSA-N 0 3 342.443 1.748 40 0 EDABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2cnn(C)c2)CC3)c1 ZINC000096051693 441999533 /nfs/dbraw/zinc/99/95/33/441999533.db2.gz DVTNYXQACMNCOX-KRWDZBQOSA-N 0 3 341.459 1.933 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096038648 441985675 /nfs/dbraw/zinc/98/56/75/441985675.db2.gz LSXNLSHVHOZLEH-FVQBIDKESA-N 0 3 335.404 1.150 40 0 EDABHN Cc1ccc(CNC[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)s1 ZINC000096059729 442008778 /nfs/dbraw/zinc/00/87/78/442008778.db2.gz JYMNFFOARIFADS-HNNXBMFYSA-N 0 3 348.472 1.745 40 0 EDABHN Cn1ccnc1CN1CCOC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096070368 442018419 /nfs/dbraw/zinc/01/84/19/442018419.db2.gz BGQLQLLNLGOBEU-LJQANCHMSA-N 0 3 341.459 1.540 40 0 EDABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096076372 442021506 /nfs/dbraw/zinc/02/15/06/442021506.db2.gz GIDLNRIBWKITNO-SFHVURJKSA-N 0 3 335.448 1.396 40 0 EDABHN O=C(COC[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCCC1 ZINC000096108808 442033507 /nfs/dbraw/zinc/03/35/07/442033507.db2.gz LQNBXVUOHAJJLC-APWZRJJASA-N 0 3 345.443 1.169 40 0 EDABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 ZINC000096112684 442037267 /nfs/dbraw/zinc/03/72/67/442037267.db2.gz WCETXNKCRGEWAF-ZDUSSCGKSA-N 0 3 327.388 1.640 40 0 biogenic,in-vitro EDABHN Cc1cccc(CN2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)n1 ZINC000096227807 442094645 /nfs/dbraw/zinc/09/46/45/442094645.db2.gz SXIVCAJRQJIDGP-KRWDZBQOSA-N 0 3 329.444 1.851 40 0 EDABHN Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cc1 ZINC000096160228 442050916 /nfs/dbraw/zinc/05/09/16/442050916.db2.gz HRCOIRBEOGWCBG-QUCCMNQESA-N 0 3 346.471 1.876 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)CCc1ccccc1)CC[C@@H]2OC ZINC000096209880 442085668 /nfs/dbraw/zinc/08/56/68/442085668.db2.gz VLOPBHJVTSOGBT-OTWHNJEPSA-N 0 3 346.471 1.813 40 0 EDABHN Cc1noc(C)c1CN1CCC[C@]2(CCCN2CC(=O)N(C)C)C1 ZINC000096214881 442085827 /nfs/dbraw/zinc/08/58/27/442085827.db2.gz YNEJUHFUMMLNEC-SFHVURJKSA-N 0 3 334.464 1.810 40 0 EDABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096216997 442088571 /nfs/dbraw/zinc/08/85/71/442088571.db2.gz PMDLRIBYVDMEAB-QGZVFWFLSA-N 0 3 347.459 1.524 40 0 EDABHN O=C(c1nccn2ccnc12)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450194 442134958 /nfs/dbraw/zinc/13/49/58/442134958.db2.gz FSYAADNGAMIQOG-ZNMIVQPWSA-N 0 3 325.416 1.676 40 0 EDABHN COc1ccc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)cc1 ZINC000096245350 442101542 /nfs/dbraw/zinc/10/15/42/442101542.db2.gz LGICIDISLZHYFG-WMZOPIPTSA-N 0 3 340.427 1.519 40 0 EDABHN CCN1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000248101224 442881946 /nfs/dbraw/zinc/88/19/46/442881946.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 0 3 335.452 1.224 40 0 EDABHN COc1ccc(Oc2cncc([C@@H]3CCCN3C(=O)CN)n2)cc1 ZINC000257285663 443131291 /nfs/dbraw/zinc/13/12/91/443131291.db2.gz PIEBIZMQIMREOZ-HNNXBMFYSA-N 0 3 328.372 1.900 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ncccn3)CCO2)n1 ZINC000257300651 443137291 /nfs/dbraw/zinc/13/72/91/443137291.db2.gz RVENEAFDKRPYSY-OAHLLOKOSA-N 0 3 327.388 1.460 40 0 EDABHN O=C(c1cccnc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257315154 443143805 /nfs/dbraw/zinc/14/38/05/443143805.db2.gz VADSQBWWVNVYCR-FQEVSTJZSA-N 0 3 337.423 1.717 40 0 EDABHN O=C(CN1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1)N1CCCCC1 ZINC000257242550 443125750 /nfs/dbraw/zinc/12/57/50/443125750.db2.gz IDBPVVYONJLYKJ-OWCLPIDISA-N 0 3 329.448 1.611 40 0 EDABHN CN1CCC(Cc2ccccc2F)(C(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000257279664 443127983 /nfs/dbraw/zinc/12/79/83/443127983.db2.gz OHQIDQDREOWQSU-MRXNPFEDSA-N 0 3 347.434 1.475 40 0 EDABHN O=S(=O)(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1 ZINC000257284420 443130466 /nfs/dbraw/zinc/13/04/66/443130466.db2.gz PCQGAIHBMARDIF-BRWVUGGUSA-N 0 3 338.473 1.733 40 0 EDABHN CN1C(=O)CCC[C@H]2CN(Cc3cccc(OCCO)c3)CC[C@H]21 ZINC000257336194 443152985 /nfs/dbraw/zinc/15/29/85/443152985.db2.gz YNMSTTCRWJVZEI-FUHWJXTLSA-N 0 3 332.444 1.891 40 0 EDABHN CC(C)N1CCOC[C@@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 ZINC000306123205 444284636 /nfs/dbraw/zinc/28/46/36/444284636.db2.gz AHFQDTAWPLHKRF-CZUORRHYSA-N 0 3 339.461 1.531 40 0 EDABHN O=C(N[C@@H]1CCOC[C@@]12CCN(Cc1ccccn1)C2)N1CCCC1 ZINC000306135693 444286612 /nfs/dbraw/zinc/28/66/12/444286612.db2.gz OXXQELVUKWZOGS-MJGOQNOKSA-N 0 3 344.459 1.868 40 0 EDABHN COc1ccc2c(c1)CCN(c1cc(C)nc(NCCN(C)C)n1)C2 ZINC000329046046 444456871 /nfs/dbraw/zinc/45/68/71/444456871.db2.gz TZISRMCVWVXRIX-UHFFFAOYSA-N 0 3 341.459 2.330 40 0 EDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289003 448159979 /nfs/dbraw/zinc/15/99/79/448159979.db2.gz NTNLNAALFXARFM-JENIJYKNSA-N 0 3 348.487 1.842 40 0 biogenic,in-vitro EDABHN CNC(=O)[C@]1(C)CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585284122 448731213 /nfs/dbraw/zinc/73/12/13/448731213.db2.gz HCVZQYLLFDVXTH-JCGIZDLHSA-N 0 3 326.481 1.791 40 0 EDABHN CN(C)Cc1cnn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000257240577 536060936 /nfs/dbraw/zinc/06/09/36/536060936.db2.gz HUEBSTFOWXQYFJ-MRXNPFEDSA-N 0 3 341.459 1.758 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(Br)c2)C1 ZINC000257257340 536398516 /nfs/dbraw/zinc/39/85/16/536398516.db2.gz KPCZPTWENZGBRN-ZDUSSCGKSA-N 0 3 340.265 1.559 40 0 EDABHN Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@@H]2CCCN2)n1 ZINC000072366878 216173576 /nfs/dbraw/zinc/17/35/76/216173576.db2.gz GEYZWNPYHFRBDL-HNNXBMFYSA-N 0 3 328.420 1.192 40 0 EDABHN Cc1cc(N)cc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 ZINC000257217251 244172039 /nfs/dbraw/zinc/17/20/39/244172039.db2.gz CYFCSCYKPAXOKA-OAHLLOKOSA-N 0 3 334.401 1.129 40 0 EDABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)CN)C2)ncn1 ZINC000257229660 244210306 /nfs/dbraw/zinc/21/03/06/244210306.db2.gz FZABATHYZXLANE-ZDUSSCGKSA-N 0 3 329.404 1.488 40 0 EDABHN C[C@]12C[C@H](c3ccccc3)C[C@](C)(O1)[C@@H](O)[C@H](CNC(=O)CN)CC2 ZINC000257237406 244232837 /nfs/dbraw/zinc/23/28/37/244232837.db2.gz HGIFCZCOXKLQHD-LPBINRMYSA-N 0 3 346.471 1.944 40 0 EDABHN Cc1cc(CC[C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)ncn1 ZINC000257255982 244281590 /nfs/dbraw/zinc/28/15/90/244281590.db2.gz KJQQXMIUVRAKEX-GOSISDBHSA-N 0 3 346.475 1.819 40 0 EDABHN NCC(=O)N1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079412545 217222000 /nfs/dbraw/zinc/22/20/00/217222000.db2.gz DGTKVPKUZLKWSP-INIZCTEOSA-N 0 3 331.416 1.737 40 0 EDABHN NCC(=O)N1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079412574 217222186 /nfs/dbraw/zinc/22/21/86/217222186.db2.gz YQSZCXPKKINXLA-MRXNPFEDSA-N 0 3 331.416 1.737 40 0 EDABHN CC(=O)NCc1cccc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000257285997 278125040 /nfs/dbraw/zinc/12/50/40/278125040.db2.gz PJSVVGUNGSQEGO-LJQANCHMSA-N 0 3 344.459 1.866 40 0 EDABHN NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000257239427 303365468 /nfs/dbraw/zinc/36/54/68/303365468.db2.gz HPEIXFIAFTYLLI-CQSZACIVSA-N 0 3 329.379 1.877 40 0 EDABHN C[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1 ZINC000045139274 440955349 /nfs/dbraw/zinc/95/53/49/440955349.db2.gz FYJRORWADOZLRQ-CQSZACIVSA-N 0 3 339.867 1.861 40 0 EDABHN COc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)CC2)n1 ZINC000108530448 441460998 /nfs/dbraw/zinc/46/09/98/441460998.db2.gz NAAIRTOVFKOCAS-UHFFFAOYSA-N 0 3 339.461 1.384 40 0 EDABHN CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)NCCN(C)C ZINC000095883194 441953540 /nfs/dbraw/zinc/95/35/40/441953540.db2.gz MOXOISAECHAMOK-INIZCTEOSA-N 0 3 335.448 1.274 40 0 EDABHN O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 ZINC000096042782 441991342 /nfs/dbraw/zinc/99/13/42/441991342.db2.gz CLEUBIFMGKXNCA-CGTJXYLNSA-N 0 3 345.443 1.356 40 0 EDABHN Cn1cc(CN2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)cn1 ZINC000096047040 441995744 /nfs/dbraw/zinc/99/57/44/441995744.db2.gz ZUKZZQQZARPHGG-IBGZPJMESA-N 0 3 339.443 1.943 40 0 EDABHN Cn1cc(CN2C[C@H](C(=O)NCC3CC3)C3(C2)CCOCC3)cn1 ZINC000096052127 442000685 /nfs/dbraw/zinc/00/06/85/442000685.db2.gz OJBKGOJPLQDJDF-MRXNPFEDSA-N 0 3 332.448 1.175 40 0 EDABHN CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039569 441986049 /nfs/dbraw/zinc/98/60/49/441986049.db2.gz FTYKWMFKAYQFIB-JKSUJKDBSA-N 0 3 348.509 1.176 40 0 EDABHN COc1ccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000096057663 442004544 /nfs/dbraw/zinc/00/45/44/442004544.db2.gz YNAOGENVQVRBDC-BMGDILEWSA-N 0 3 330.428 1.953 40 0 EDABHN CN(C)CCOC[C@@H]1CN(Cc2ccsc2)Cc2nnn(C)c21 ZINC000096060659 442008556 /nfs/dbraw/zinc/00/85/56/442008556.db2.gz HFTIDMJCJDDHPU-AWEZNQCLSA-N 0 3 335.477 1.554 40 0 EDABHN c1cncc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1 ZINC000096108773 442033462 /nfs/dbraw/zinc/03/34/62/442033462.db2.gz CRQIJJRNAYTNCM-RTBURBONSA-N 0 3 332.444 1.973 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)CC[C@@H]2OC ZINC000096109413 442035026 /nfs/dbraw/zinc/03/50/26/442035026.db2.gz XPPOAWFFIVZXFI-XHSDSOJGSA-N 0 3 346.427 1.525 40 0 EDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccs3)C2)cn1 ZINC000096110077 442036512 /nfs/dbraw/zinc/03/65/12/442036512.db2.gz OJMUNJYIHHVRIK-RHSMWYFYSA-N 0 3 346.456 1.246 40 0 EDABHN CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3cccc(F)c3)C[C@@H]21 ZINC000096185460 442060080 /nfs/dbraw/zinc/06/00/80/442060080.db2.gz NMPPQATYCXESIX-CWRNSKLLSA-N 0 3 342.436 1.212 40 0 EDABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)N2CCCC2)C1 ZINC000096189005 442067172 /nfs/dbraw/zinc/06/71/72/442067172.db2.gz GZDSLOUOQHLFSX-OAHLLOKOSA-N 0 3 335.452 1.109 40 0 EDABHN Cc1cccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)n1 ZINC000096201355 442076543 /nfs/dbraw/zinc/07/65/43/442076543.db2.gz XJLBXJAJRMAYJI-UHFFFAOYSA-N 0 3 346.475 1.145 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CC(F)(F)C1 ZINC000096209512 442085052 /nfs/dbraw/zinc/08/50/52/442085052.db2.gz GEHUDMNACHGHJX-ZBFHGGJFSA-N 0 3 337.370 1.398 40 0 EDABHN CC(C)n1cnc2c1C[C@@H](C(=O)NCCN(C)C)C(=O)N2CC1CC1 ZINC000096264841 442109763 /nfs/dbraw/zinc/10/97/63/442109763.db2.gz HFGRUXXFKFYESA-AWEZNQCLSA-N 0 3 347.463 1.057 40 0 EDABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cccnc1)CC2 ZINC000096260312 442108407 /nfs/dbraw/zinc/10/84/07/442108407.db2.gz YOQZOZDYWUTAOY-UHFFFAOYSA-N 0 3 339.443 1.503 40 0 EDABHN CNC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)C2)nc(C)n1 ZINC000257303861 443138956 /nfs/dbraw/zinc/13/89/56/443138956.db2.gz SJCAPXJLGUFJHF-HNNXBMFYSA-N 0 3 339.443 1.994 40 0 EDABHN COc1cccc2c1OC1(CCN(C(=O)CN)CC1)[C@H]1CCCO[C@H]21 ZINC000257277471 443127042 /nfs/dbraw/zinc/12/70/42/443127042.db2.gz NYCSPMVYMZVJTJ-WMLDXEAASA-N 0 3 346.427 1.875 40 0 EDABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)CC1 ZINC000257286874 443131120 /nfs/dbraw/zinc/13/11/20/443131120.db2.gz PNKPTMSJBUMVDP-QRTARXTBSA-N 0 3 344.459 1.991 40 0 EDABHN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)C2(N)CCCC2)n1 ZINC000257330925 443150588 /nfs/dbraw/zinc/15/05/88/443150588.db2.gz XQPOGJFPYVZHBW-OAHLLOKOSA-N 0 3 331.420 1.048 40 0 EDABHN CN(C)C(=O)CCc1cccc([C@@H]2CCCN(C(=O)C(C)(C)N)C2)n1 ZINC000257333345 443152152 /nfs/dbraw/zinc/15/21/52/443152152.db2.gz YBFRHHKWGZQJQD-CQSZACIVSA-N 0 3 346.475 1.546 40 0 EDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 ZINC000306125470 444285308 /nfs/dbraw/zinc/28/53/08/444285308.db2.gz CSBXZYNJDVZDME-KSSFIOAISA-N 0 3 349.431 1.504 40 0 EDABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306130745 444286275 /nfs/dbraw/zinc/28/62/75/444286275.db2.gz JOHILYODECFVKI-VXGBXAGGSA-N 0 3 327.388 1.068 40 0 EDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514289825 448160778 /nfs/dbraw/zinc/16/07/78/448160778.db2.gz PANCSNSQGBEDRB-QZTJIDSGSA-N 0 3 347.478 1.787 40 0 biogenic,in-vitro EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218082487 535596017 /nfs/dbraw/zinc/59/60/17/535596017.db2.gz AVRKSDQXIJUDCM-YCPHGPKFSA-N 0 3 341.429 1.104 40 0 EDABHN CN1CCC[C@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 ZINC000072387217 216187221 /nfs/dbraw/zinc/18/72/21/216187221.db2.gz DLFXPHBDWDRDIG-HNNXBMFYSA-N 0 3 330.432 1.228 40 0 EDABHN CN1CC[C@@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 ZINC000072391636 216191452 /nfs/dbraw/zinc/19/14/52/216191452.db2.gz XNFAEOAVQPOYRB-GFCCVEGCSA-N 0 3 330.436 1.408 40 0 EDABHN NC[C@@]1(CO)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218500305 241326595 /nfs/dbraw/zinc/32/65/95/241326595.db2.gz FFTOTBKRELNJLK-YESZJQIVSA-N 0 3 335.400 1.703 40 0 EDABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218095403 241298605 /nfs/dbraw/zinc/29/86/05/241298605.db2.gz LFYXCTKVCKRHEA-SQNIBIBYSA-N 0 3 347.436 1.572 40 0 EDABHN CC(=O)N1CCC(Cc2cnc(CN3CCCN(C)CC3)cn2)CC1 ZINC000257246935 244257926 /nfs/dbraw/zinc/25/79/26/244257926.db2.gz IWQJBYZGSGGZOQ-UHFFFAOYSA-N 0 3 345.491 1.415 40 0 EDABHN O=C(c1cnccn1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257262532 244351515 /nfs/dbraw/zinc/35/15/15/244351515.db2.gz LLUCKGVVNGQPOW-LJQANCHMSA-N 0 3 338.411 1.112 40 0 EDABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257264655 244357999 /nfs/dbraw/zinc/35/79/99/244357999.db2.gz LVLUXARQQHGYPV-BDXSIMOUSA-N 0 3 347.459 1.589 40 0 EDABHN COc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)cc(OC)c1OC ZINC000019575218 212044975 /nfs/dbraw/zinc/04/49/75/212044975.db2.gz DZDZQFGBRSXCJD-BPLDGKMQSA-N 0 3 336.432 1.352 40 0 EDABHN Cc1c(-c2cc(C(=O)N3CCCC[C@@H]3CN(C)C)no2)cnn1C ZINC000019554056 212041417 /nfs/dbraw/zinc/04/14/17/212041417.db2.gz QZIHDYZXZNKYCP-CYBMUJFWSA-N 0 3 331.420 1.940 40 0 EDABHN COc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)nc(OC)n1 ZINC000019496544 212032317 /nfs/dbraw/zinc/03/23/17/212032317.db2.gz QZSUYBZWHUBGHZ-GFCCVEGCSA-N 0 3 336.436 1.734 40 0 EDABHN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCN(C)C)n1 ZINC000019457410 212030273 /nfs/dbraw/zinc/03/02/73/212030273.db2.gz INVOWODKCOBSOR-LLVKDONJSA-N 0 3 338.843 1.421 40 0 EDABHN CCN(CC1CCN(C(=O)CN)CC1)C(=O)OCc1ccccc1 ZINC000079412433 217221554 /nfs/dbraw/zinc/22/15/54/217221554.db2.gz ZVCJSOYNFYOVMR-UHFFFAOYSA-N 0 3 333.432 1.842 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1 ZINC000079420026 217223250 /nfs/dbraw/zinc/22/32/50/217223250.db2.gz LSDAKEYOMULXEP-INIZCTEOSA-N 0 3 333.432 1.841 40 0 EDABHN COc1cccc(CNC[C@H]2COCc3nc4cccnc4n32)n1 ZINC000096112801 274146534 /nfs/dbraw/zinc/14/65/34/274146534.db2.gz XKYQMOJWYRYXBF-ZDUSSCGKSA-N 0 3 325.372 1.696 40 0 biogenic,in-vitro EDABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C3CCC3)CCN21 ZINC000253398836 278124369 /nfs/dbraw/zinc/12/43/69/278124369.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 0 3 329.488 1.792 40 0 biogenic,in-vitro EDABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218524565 280970971 /nfs/dbraw/zinc/97/09/71/280970971.db2.gz GPAMHLUBMHNDQF-KZNAEPCWSA-N 0 3 330.453 1.899 40 0 EDABHN O[C@@H]1[C@@H](N2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(F)cc1 ZINC000012529618 441134183 /nfs/dbraw/zinc/13/41/83/441134183.db2.gz WJKYOSUFZWUIKK-HSFUPAIVSA-N 0 3 336.407 1.254 40 0 biogenic,in-vitro EDABHN COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529614 441134217 /nfs/dbraw/zinc/13/42/17/441134217.db2.gz AEPIQDNEKOXWMO-IEWDOMPSSA-N 0 3 348.443 1.124 40 0 biogenic,in-vitro EDABHN CN(C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000071834844 441165401 /nfs/dbraw/zinc/16/54/01/441165401.db2.gz KOQNVMKCBRYEKR-UHFFFAOYSA-N 0 3 337.729 1.975 40 0 EDABHN CCc1cccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c21 ZINC000013566699 441160849 /nfs/dbraw/zinc/16/08/49/441160849.db2.gz ZWNAAYOAMCSTOZ-UHFFFAOYSA-N 0 3 329.444 1.902 40 0 EDABHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cncc(CN)n1 ZINC000072387940 441231258 /nfs/dbraw/zinc/23/12/58/441231258.db2.gz DZIXINTXUOKJNP-ZDUSSCGKSA-N 0 3 337.405 1.066 40 0 EDABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CCOC)C1 ZINC000019695756 441258659 /nfs/dbraw/zinc/25/86/59/441258659.db2.gz FBGINNYBHRUPPF-LJQANCHMSA-N 0 3 343.427 1.969 40 0 EDABHN O=S(=O)(NC1CC2(C1)CCN(Cc1cccnc1)CC2)C1CC1 ZINC000108525966 441458744 /nfs/dbraw/zinc/45/87/44/441458744.db2.gz GRKYJGYBUUQYDA-UHFFFAOYSA-N 0 3 335.473 1.908 40 0 EDABHN Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108536546 441461834 /nfs/dbraw/zinc/46/18/34/441461834.db2.gz LHKIMAVKYRDURP-MJGOQNOKSA-N 0 3 346.475 1.580 40 0 EDABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047815 441994944 /nfs/dbraw/zinc/99/49/44/441994944.db2.gz DEGGHWNGNZRESE-AWEZNQCLSA-N 0 3 338.473 1.976 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 ZINC000096039541 441986026 /nfs/dbraw/zinc/98/60/26/441986026.db2.gz PPYXZJWCFPOWDQ-PKOBYXMFSA-N 0 3 349.475 1.615 40 0 EDABHN O=C(C1CC=CC1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041631 441990084 /nfs/dbraw/zinc/99/00/84/441990084.db2.gz HISSPKPVIAGMQI-RCCFBDPRSA-N 0 3 334.460 1.823 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096056948 442005509 /nfs/dbraw/zinc/00/55/09/442005509.db2.gz URLQMFVWMVMKQN-FUHWJXTLSA-N 0 3 336.432 1.756 40 0 EDABHN Cn1cc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cn1 ZINC000096061041 442007773 /nfs/dbraw/zinc/00/77/73/442007773.db2.gz WJMQPBBOCDZMKW-ZDUSSCGKSA-N 0 3 330.417 1.429 40 0 EDABHN Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096064785 442012103 /nfs/dbraw/zinc/01/21/03/442012103.db2.gz QQOXEKMJUBYVPP-SQNIBIBYSA-N 0 3 348.491 1.654 40 0 EDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccc1 ZINC000096065755 442014775 /nfs/dbraw/zinc/01/47/75/442014775.db2.gz CMPIJVYJRQTVNA-YQVWRLOYSA-N 0 3 332.444 1.566 40 0 EDABHN Cc1ccc(NCc2cnc3n2CCN(CCN(C)C)CC3)nn1 ZINC000096067942 442015760 /nfs/dbraw/zinc/01/57/60/442015760.db2.gz UHNZZHFJYLUFIJ-UHFFFAOYSA-N 0 3 329.452 1.013 40 0 EDABHN O=C(NCC1CC1)[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224880 442092517 /nfs/dbraw/zinc/09/25/17/442092517.db2.gz DAYTVMOHUMQPIA-KRWDZBQOSA-N 0 3 329.444 1.979 40 0 EDABHN COc1ccc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)cc1 ZINC000096187031 442064724 /nfs/dbraw/zinc/06/47/24/442064724.db2.gz PGWLLVZIVLWUIX-SQNIBIBYSA-N 0 3 348.443 1.645 40 0 EDABHN Cc1ccc(CN2Cc3ccnn3C[C@H](C(=O)NCCN(C)C)C2)o1 ZINC000096188836 442067395 /nfs/dbraw/zinc/06/73/95/442067395.db2.gz WENSYPLULXFFQP-OAHLLOKOSA-N 0 3 345.447 1.094 40 0 EDABHN c1c[nH]c(CN2CCC3(CC2)COCCN(c2ncccn2)C3)c1 ZINC000096239999 442099095 /nfs/dbraw/zinc/09/90/95/442099095.db2.gz CMVKVIPZUOPJLE-UHFFFAOYSA-N 0 3 327.432 1.924 40 0 EDABHN CC(C)N1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 ZINC000096243607 442100727 /nfs/dbraw/zinc/10/07/27/442100727.db2.gz KSDNZKBXHSRECX-OAHLLOKOSA-N 0 3 332.448 1.508 40 0 EDABHN COCCN1CCO[C@@H]2CN(C(=O)COc3ccccc3)CC[C@@H]2C1 ZINC000096249620 442103624 /nfs/dbraw/zinc/10/36/24/442103624.db2.gz LCRMOWACHUEDMX-SJLPKXTDSA-N 0 3 348.443 1.261 40 0 EDABHN O=C(CCOC1CCOCC1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000195536846 443030811 /nfs/dbraw/zinc/03/08/11/443030811.db2.gz COSXFBHPPHZKTI-LZLYRXPVSA-N 0 3 336.476 1.905 40 0 EDABHN CN1CCN(Cc2ccc(Br)cc2)C[C@H](C(N)=O)C1 ZINC000257312318 443142436 /nfs/dbraw/zinc/14/24/36/443142436.db2.gz UNJNFXAGQXNVSX-GFCCVEGCSA-N 0 3 326.238 1.298 40 0 EDABHN O=C(C1CCOCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257316408 443144659 /nfs/dbraw/zinc/14/46/59/443144659.db2.gz VFMCTFFAKALQQX-OAHLLOKOSA-N 0 3 332.391 1.108 40 0 EDABHN CS(=O)(=O)N1CCC(N2CCC[C@H](c3nccs3)C2)CC1 ZINC000257282721 443129567 /nfs/dbraw/zinc/12/95/67/443129567.db2.gz OUYOIBHAOYYCQE-LBPRGKRZSA-N 0 3 329.491 1.747 40 0 EDABHN CS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306127260 444285020 /nfs/dbraw/zinc/28/50/20/444285020.db2.gz FTLLIAVMTYZRIY-YSVLISHTSA-N 0 3 349.456 1.164 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306127549 444285560 /nfs/dbraw/zinc/28/55/60/444285560.db2.gz GBNHLNNBTXDALT-UONOGXRCSA-N 0 3 329.404 1.314 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306135888 444286511 /nfs/dbraw/zinc/28/65/11/444286511.db2.gz PDWBXKYTNXYWDK-KBPBESRZSA-N 0 3 343.406 1.471 40 0 EDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccco3)C[C@H]21 ZINC000306139011 444287217 /nfs/dbraw/zinc/28/72/17/444287217.db2.gz SNDKCIVLSRPLSL-HIFRSBDPSA-N 0 3 342.399 1.027 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514289826 448159815 /nfs/dbraw/zinc/15/98/15/448159815.db2.gz PANCSNSQGBEDRB-ZWKOTPCHSA-N 0 3 347.478 1.787 40 0 biogenic,in-vitro EDABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585269138 448716677 /nfs/dbraw/zinc/71/66/77/448716677.db2.gz KLKXZKFERSNXTM-IBGZPJMESA-N 0 3 348.443 1.140 40 0 EDABHN CN(C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000004537115 210215448 /nfs/dbraw/zinc/21/54/48/210215448.db2.gz KLLIEMXIOSWUSE-UHFFFAOYSA-N 0 3 331.416 1.521 40 0 EDABHN c1c(CC2(NC3CCCCC3)COC2)noc1CN1CCOCC1 ZINC000067898381 215246232 /nfs/dbraw/zinc/24/62/32/215246232.db2.gz SMARHKVDFANWGK-UHFFFAOYSA-N 0 3 335.448 1.741 40 0 biogenic,in-vitro EDABHN O=C(CNCCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 ZINC000035311456 213018941 /nfs/dbraw/zinc/01/89/41/213018941.db2.gz LIHGISOJINGTDA-UHFFFAOYSA-N 0 3 332.448 1.147 40 0 EDABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218399750 241319632 /nfs/dbraw/zinc/31/96/32/241319632.db2.gz GURMLFBGOVMKKE-KSZLIROESA-N 0 3 331.437 1.872 40 0 EDABHN COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193524 241305626 /nfs/dbraw/zinc/30/56/26/241305626.db2.gz KDGARTSPQVYESW-AGIUHOORSA-N 0 3 348.262 1.551 40 0 EDABHN O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000096040756 284010741 /nfs/dbraw/zinc/01/07/41/284010741.db2.gz ZXJWUHZDCHWDHY-OLMNPRSZSA-N 0 3 341.411 1.685 40 0 EDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccnc(C)n2)c1 ZINC000257209669 244146727 /nfs/dbraw/zinc/14/67/27/244146727.db2.gz BRJYKYBATQWVHA-QGZVFWFLSA-N 0 3 325.416 1.291 40 0 EDABHN CO[C@H]1CN(C(=O)c2ccc(OCCN(C)C)cc2)C[C@@]12CCCO2 ZINC000257260897 244348392 /nfs/dbraw/zinc/34/83/92/244348392.db2.gz LEYNNDZEUQTJOK-HKUYNNGSSA-N 0 3 348.443 1.647 40 0 EDABHN Cc1cc(N)cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 ZINC000257315106 244501083 /nfs/dbraw/zinc/50/10/83/244501083.db2.gz UZXWHIOFVXHGLE-OAHLLOKOSA-N 0 3 325.434 1.618 40 0 EDABHN Cc1ccc(C(=O)NCCN(C)C)cc1N1CCCCS1(=O)=O ZINC000005439515 440955196 /nfs/dbraw/zinc/95/51/96/440955196.db2.gz HUECBIQBOMNWEM-UHFFFAOYSA-N 0 3 339.461 1.216 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000072367473 441230961 /nfs/dbraw/zinc/23/09/61/441230961.db2.gz XEMWAYBARNRLCG-UHFFFAOYSA-N 0 3 336.436 1.105 40 0 EDABHN Cc1ccc(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)cc1 ZINC000039749774 441619421 /nfs/dbraw/zinc/61/94/21/441619421.db2.gz XFRBMBXEKNMRKY-UHFFFAOYSA-N 0 3 329.444 1.508 40 0 EDABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCCCC1)C2 ZINC000096038723 441985770 /nfs/dbraw/zinc/98/57/70/441985770.db2.gz HHZXSLIFJCGQLY-IEBWSBKVSA-N 0 3 336.476 1.907 40 0 EDABHN CCCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039568 441986008 /nfs/dbraw/zinc/98/60/08/441986008.db2.gz FTYKWMFKAYQFIB-HZPDHXFCSA-N 0 3 348.509 1.176 40 0 EDABHN CCOC(=O)[C@@]12CN(C(C)C)C[C@@H]1CN(S(=O)(=O)CC)CCC2 ZINC000096055922 442002880 /nfs/dbraw/zinc/00/28/80/442002880.db2.gz KTJYNBGCKNMWIN-ZBFHGGJFSA-N 0 3 346.493 1.322 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096110738 442036149 /nfs/dbraw/zinc/03/61/49/442036149.db2.gz IVZDLVKLCDBECW-FVQBIDKESA-N 0 3 338.473 1.975 40 0 EDABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228837 442096169 /nfs/dbraw/zinc/09/61/69/442096169.db2.gz HTHYJPODKYAFOR-SFHVURJKSA-N 0 3 335.448 1.396 40 0 EDABHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000096184315 442057171 /nfs/dbraw/zinc/05/71/71/442057171.db2.gz BRMNAQXVWFWGNT-QWHCGFSZSA-N 0 3 329.491 1.147 40 0 EDABHN COCCN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260449 442107850 /nfs/dbraw/zinc/10/78/50/442107850.db2.gz KEHLNTHVUYRNDF-UHFFFAOYSA-N 0 3 334.464 1.651 40 0 EDABHN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)c1ccnnc1 ZINC000247370946 442850439 /nfs/dbraw/zinc/85/04/39/442850439.db2.gz HBQMUEMJNCRBEX-FVQBIDKESA-N 0 3 344.440 1.415 40 0 EDABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 ZINC000223288721 443087826 /nfs/dbraw/zinc/08/78/26/443087826.db2.gz LATCFVIRTYSLTD-CVEARBPZSA-N 0 3 329.473 1.954 40 0 EDABHN COc1ccc2c3c1O[C@@]1(CO)C(OC)=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000253504855 443072302 /nfs/dbraw/zinc/07/23/02/443072302.db2.gz MBCREQDZNVPNRN-UAOJZALGSA-N 0 3 341.407 1.787 40 0 biogenic,in-vitro EDABHN Cc1c[nH]c([C@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 ZINC000257316902 443144187 /nfs/dbraw/zinc/14/41/87/443144187.db2.gz VHMLSOYRTFGAMU-MRXNPFEDSA-N 0 3 343.431 1.535 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000242548478 443211268 /nfs/dbraw/zinc/21/12/68/443211268.db2.gz LMTPREMMWVSIDW-OUCADQQQSA-N 0 3 331.821 1.359 40 0 EDABHN COc1ccc(CN2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000306130295 444285814 /nfs/dbraw/zinc/28/58/14/444285814.db2.gz JBPGEMIVJPEYFC-KBAYOESNSA-N 0 3 330.428 1.764 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306129598 444285852 /nfs/dbraw/zinc/28/58/52/444285852.db2.gz IHXBLEAINWFCRN-CHWSQXEVSA-N 0 3 331.445 1.394 40 0 EDABHN O=C(c1ccc(F)c(F)c1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093877 448677216 /nfs/dbraw/zinc/67/72/16/448677216.db2.gz MEZZCCYKDQTTMO-ZDUSSCGKSA-N 0 3 336.382 1.884 40 0 EDABHN CCCCN1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100087 448684761 /nfs/dbraw/zinc/68/47/61/448684761.db2.gz FKZNNYVWSSBDHV-MRXNPFEDSA-N 0 3 330.494 1.678 40 0 EDABHN COc1ccc([C@H]2N=C(SCC(=O)NC(C)(C)C)NC(=N)N2)cc1 ZINC000261526831 486018583 /nfs/dbraw/zinc/01/85/83/486018583.db2.gz MSLQMUWVDCGAKI-CYBMUJFWSA-N 0 3 349.460 1.616 40 0 EDABHN CC(C)(N)C(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 ZINC000072360773 216167213 /nfs/dbraw/zinc/16/72/13/216167213.db2.gz DFYMYWZCLULOJD-UHFFFAOYSA-N 0 3 328.420 1.992 40 0 EDABHN NC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574463 241331952 /nfs/dbraw/zinc/33/19/52/241331952.db2.gz AMPDDUOBEOSGMI-PMPSAXMXSA-N 0 3 336.844 1.936 40 0 EDABHN OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCCC2)[C@@H]1O ZINC000020465053 212134935 /nfs/dbraw/zinc/13/49/35/212134935.db2.gz KIVRCGBCMAEGIY-LTIDMASMSA-N 0 3 340.851 1.015 40 0 biogenic,in-vitro EDABHN c1ncn(C[C@@H]2CC[C@@]3(COCCN(Cc4ccccc4)C3)O2)n1 ZINC000253596855 244032838 /nfs/dbraw/zinc/03/28/38/244032838.db2.gz WMPCQOOXUXPMFM-ZWKOTPCHSA-N 0 3 328.416 1.728 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2nccn2C(C)C)c1 ZINC000257246185 244257623 /nfs/dbraw/zinc/25/76/23/244257623.db2.gz ISYBOUHHAXQQKY-KRWDZBQOSA-N 0 3 341.459 1.970 40 0 EDABHN O=C(c1cccc(=O)[nH]1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257274898 244389480 /nfs/dbraw/zinc/38/94/80/244389480.db2.gz NNCVCHNZLXARAC-HNNXBMFYSA-N 0 3 341.358 1.095 40 0 EDABHN O=C(Cc1ccccc1F)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019348056 212019364 /nfs/dbraw/zinc/01/93/64/212019364.db2.gz VWXCMDUXBKYSDY-AWEZNQCLSA-N 0 3 340.402 1.820 40 0 EDABHN CC(C)N(C[C@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412476 217221492 /nfs/dbraw/zinc/22/14/92/217221492.db2.gz GOBBSBMYSILXSX-INIZCTEOSA-N 0 3 333.432 1.841 40 0 EDABHN O=C(CN1CCCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000012145856 211306587 /nfs/dbraw/zinc/30/65/87/211306587.db2.gz FAMJQSKROCJSSH-UHFFFAOYSA-N 0 3 341.415 1.051 40 0 EDABHN Cc1ccc(N2CC[C@H]3OCCC[C@@]3(COCCN(C)C)C2)nn1 ZINC000107711547 292139146 /nfs/dbraw/zinc/13/91/46/292139146.db2.gz OMHCDEXDTBZELL-AEFFLSMTSA-N 0 3 334.464 1.739 40 0 EDABHN O=S(=O)(c1cncc(Cl)c1N1CCNCC1)N1CCCCC1 ZINC000072210761 441207643 /nfs/dbraw/zinc/20/76/43/441207643.db2.gz GDZLHZGJJLGKLW-UHFFFAOYSA-N 0 3 344.868 1.319 40 0 EDABHN CN(CCN1CCCCC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000019288469 441254931 /nfs/dbraw/zinc/25/49/31/441254931.db2.gz PGOMZCRGQGLENB-UHFFFAOYSA-N 0 3 342.443 1.420 40 0 EDABHN CC(C)N1C[C@@]2(CO[C@H](C(=O)NCCN(C)C)C2)c2ccccc21 ZINC000107275436 441406877 /nfs/dbraw/zinc/40/68/77/441406877.db2.gz WMXIOYAYYSNURR-HKUYNNGSSA-N 0 3 331.460 1.620 40 0 EDABHN Fc1ccc(-n2ncc3c2ncnc3NCCCN2CCNC2)cc1 ZINC000027795915 441414847 /nfs/dbraw/zinc/41/48/47/441414847.db2.gz MJAWGWDNLAROLD-UHFFFAOYSA-N 0 3 341.394 1.619 40 0 EDABHN Cn1cc(CN2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)cn1 ZINC000096048699 441996166 /nfs/dbraw/zinc/99/61/66/441996166.db2.gz VLYMXBCAYPVIPG-QGZVFWFLSA-N 0 3 326.404 1.229 40 0 EDABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 ZINC000096049484 441997847 /nfs/dbraw/zinc/99/78/47/441997847.db2.gz AAPMMTTZKFNIQT-SFHVURJKSA-N 0 3 335.448 1.248 40 0 EDABHN Cn1cc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003529 /nfs/dbraw/zinc/00/35/29/442003529.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 0 3 341.459 1.538 40 0 EDABHN Cc1cccc(CN2CCc3c(n[nH]c3CNC3CCOCC3)C2)n1 ZINC000096084114 442024695 /nfs/dbraw/zinc/02/46/95/442024695.db2.gz NIBPCZHJRZEOEA-UHFFFAOYSA-N 0 3 341.459 1.940 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)ccn1)CC[C@@H]2OC ZINC000096111067 442035943 /nfs/dbraw/zinc/03/59/43/442035943.db2.gz LITFWIMKQFIGEQ-UAGQMJEPSA-N 0 3 333.432 1.198 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)cn1 ZINC000096224925 442094174 /nfs/dbraw/zinc/09/41/74/442094174.db2.gz JDLMPKMCJSIIOC-KRWDZBQOSA-N 0 3 346.475 1.804 40 0 EDABHN CN(C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1ccsc1)C2 ZINC000096189643 442067865 /nfs/dbraw/zinc/06/78/65/442067865.db2.gz MMGBCCHEUVZPLZ-OAHLLOKOSA-N 0 3 345.468 1.759 40 0 EDABHN O=C(c1ccc[nH]1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096197570 442071613 /nfs/dbraw/zinc/07/16/13/442071613.db2.gz HAOQAWYTQWPJLS-UHFFFAOYSA-N 0 3 341.415 1.213 40 0 EDABHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 ZINC000096207652 442082118 /nfs/dbraw/zinc/08/21/18/442082118.db2.gz DMLCOHBXYHMFCH-SJLPKXTDSA-N 0 3 332.448 1.866 40 0 EDABHN CS(=O)(=O)N[C@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096217018 442088408 /nfs/dbraw/zinc/08/84/08/442088408.db2.gz YKLXSWAQGBZCOV-AWEZNQCLSA-N 0 3 344.502 1.668 40 0 EDABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000096239193 442098093 /nfs/dbraw/zinc/09/80/93/442098093.db2.gz CIIIFVSMZJJERH-KRWDZBQOSA-N 0 3 327.388 1.710 40 0 EDABHN CN(C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn21 ZINC000248155311 442884713 /nfs/dbraw/zinc/88/47/13/442884713.db2.gz YWGALJNHJSULDD-INIZCTEOSA-N 0 3 348.472 1.405 40 0 EDABHN O=C(c1cc[nH]n1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257312506 443142484 /nfs/dbraw/zinc/14/24/84/443142484.db2.gz UOHMKDXGBJEUQL-HNNXBMFYSA-N 0 3 342.390 1.498 40 0 EDABHN CO[C@H]1CN(C(=O)CCN(C)Cc2cccnc2)C[C@@]12CCCO2 ZINC000257313312 443143228 /nfs/dbraw/zinc/14/32/28/443143228.db2.gz URTYNCJRXGKRHO-WMZOPIPTSA-N 0 3 333.432 1.310 40 0 EDABHN COC[C@H]1C[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O ZINC000225508608 443109142 /nfs/dbraw/zinc/10/91/42/443109142.db2.gz ZSYCJFZCIJNTNO-ZRJCITRHSA-N 0 3 335.322 1.432 40 0 biogenic,in-vitro EDABHN NC[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242473303 443211046 /nfs/dbraw/zinc/21/10/46/443211046.db2.gz FFTOTBKRELNJLK-BBWFWOEESA-N 0 3 335.400 1.703 40 0 EDABHN Cn1cc(-c2cnc3c(N4CCN(CC5CC5)CC4)nccn23)cn1 ZINC000306129407 444285454 /nfs/dbraw/zinc/28/54/54/444285454.db2.gz ICDPVKHYYLUVTM-UHFFFAOYSA-N 0 3 337.431 1.662 40 0 EDABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)s1 ZINC000306130072 444285715 /nfs/dbraw/zinc/28/57/15/444285715.db2.gz IVUCFBVWHKSPFB-AEGPPILISA-N 0 3 344.502 1.443 40 0 EDABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306134093 444286630 /nfs/dbraw/zinc/28/66/30/444286630.db2.gz NDFFJBQZSJTZEE-ZIAGYGMSSA-N 0 3 341.415 1.458 40 0 EDABHN Cc1ccc(NC(=S)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420863 447858400 /nfs/dbraw/zinc/85/84/00/447858400.db2.gz KOPVXQYFRMXUOA-OAHLLOKOSA-N 0 3 341.502 1.448 40 0 EDABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1O ZINC000514289397 448160988 /nfs/dbraw/zinc/16/09/88/448160988.db2.gz SBDMIHQEKITHAC-SOUVJXGZSA-N 0 3 343.374 1.556 40 0 biogenic,in-vitro EDABHN CC(C)CN1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100619 448685618 /nfs/dbraw/zinc/68/56/18/448685618.db2.gz QGJQULHZGFFOKU-MRXNPFEDSA-N 0 3 330.494 1.534 40 0 EDABHN O=C(C[C@@]1(COc2ccc(F)cc2)CNCCO1)N1CCCCC1 ZINC000585274032 448718229 /nfs/dbraw/zinc/71/82/29/448718229.db2.gz YVLKNEDCTPZFJC-SFHVURJKSA-N 0 3 336.407 1.966 40 0 EDABHN CO[C@@H]1COC[C@@H](CNCc2cncn2Cc2ccccc2)[C@@H]1O ZINC000585285440 448732630 /nfs/dbraw/zinc/73/26/30/448732630.db2.gz CZJMOMCDFPHDRG-NXHRZFHOSA-N 0 3 331.416 1.043 40 0 EDABHN NC(=O)C1(N2CCCCC2)CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000225207687 485814113 /nfs/dbraw/zinc/81/41/13/485814113.db2.gz OWLONZASXKMLDT-UHFFFAOYSA-N 0 3 338.843 1.022 40 0 EDABHN CCn1cc(C(=O)N2CCO[C@@H](c3cc(NC)cc(C)n3)C2)cn1 ZINC000257210136 536028069 /nfs/dbraw/zinc/02/80/69/536028069.db2.gz BTIBYJIUJSNPQZ-MRXNPFEDSA-N 0 3 329.404 1.862 40 0 EDABHN Cc1noc([C@H]2COC[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)n1 ZINC000097953528 219064303 /nfs/dbraw/zinc/06/43/03/219064303.db2.gz JDBGUFMDWLAKHZ-KFWWJZLASA-N 0 3 343.383 1.969 40 0 EDABHN COc1ccc([C@H](CN[C@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177480 213279869 /nfs/dbraw/zinc/27/98/69/213279869.db2.gz XOGBJUAIHYRMBL-RDJZCZTQSA-N 0 3 338.473 1.609 40 0 EDABHN Cn1cncc1CN1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000257208011 244140823 /nfs/dbraw/zinc/14/08/23/244140823.db2.gz BKHLXZXVOWOCPB-KRWDZBQOSA-N 0 3 327.432 1.824 40 0 EDABHN CCS(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257220522 244181681 /nfs/dbraw/zinc/18/16/81/244181681.db2.gz DLCRFYOHFBGXIN-HNNXBMFYSA-N 0 3 330.425 1.044 40 0 EDABHN O=C(c1ccncc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257270616 244375990 /nfs/dbraw/zinc/37/59/90/244375990.db2.gz MUYJBFMLWFVZSQ-HXUWFJFHSA-N 0 3 337.423 1.717 40 0 EDABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[n-]c2=O)C1 ZINC000019590729 212048937 /nfs/dbraw/zinc/04/89/37/212048937.db2.gz GOQYYBBXSXCCHW-OAHLLOKOSA-N 0 3 346.431 1.055 40 0 EDABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[n-]c2=O)C1 ZINC000019590729 212048939 /nfs/dbraw/zinc/04/89/39/212048939.db2.gz GOQYYBBXSXCCHW-OAHLLOKOSA-N 0 3 346.431 1.055 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 ZINC000257297527 274702679 /nfs/dbraw/zinc/70/26/79/274702679.db2.gz RHQXPIJDTCEXHP-KRWDZBQOSA-N 0 3 341.415 1.768 40 0 EDABHN COCCN1c2ccccc2C2(CCN([C@@H]3CCOC3)CC2)C1=O ZINC000096161117 277228354 /nfs/dbraw/zinc/22/83/54/277228354.db2.gz ZLFGNJWALGGWCF-OAHLLOKOSA-N 0 3 330.428 1.802 40 0 EDABHN C[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100729033 278178146 /nfs/dbraw/zinc/17/81/46/278178146.db2.gz MGOZMLRWYDSPIC-BVSJBKOGSA-N 0 3 329.400 1.140 40 0 EDABHN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000013673626 441163341 /nfs/dbraw/zinc/16/33/41/441163341.db2.gz GGDREPWGEBJEPS-AWEZNQCLSA-N 0 3 341.477 1.136 40 0 EDABHN CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 ZINC000059106448 441227209 /nfs/dbraw/zinc/22/72/09/441227209.db2.gz MMYAHWMMNIFPHT-GKZIKETMSA-N 0 3 327.380 1.157 40 0 EDABHN COCCn1cc2c(n1)[C@@H](CNCc1cccc(OC)c1)OCC2 ZINC000096044327 441992674 /nfs/dbraw/zinc/99/26/74/441992674.db2.gz APVVWHBSWLLIIG-QGZVFWFLSA-N 0 3 331.416 1.942 40 0 EDABHN Cn1cc(CN2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)cn1 ZINC000096046979 441995322 /nfs/dbraw/zinc/99/53/22/441995322.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 0 3 328.464 1.642 40 0 EDABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)s1 ZINC000096061015 442007760 /nfs/dbraw/zinc/00/77/60/442007760.db2.gz BQEGBZOSFDPWIR-ZDUSSCGKSA-N 0 3 344.444 1.737 40 0 EDABHN Cn1cc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cn1 ZINC000096063783 442011161 /nfs/dbraw/zinc/01/11/61/442011161.db2.gz JEAWTBIGGOMFOZ-ZWKOTPCHSA-N 0 3 327.432 1.290 40 0 EDABHN Cc1nc(CO[C@@H]2CO[C@@]3(C2)CCCN(C[C@@H](C)O)C3)cs1 ZINC000096073619 442019972 /nfs/dbraw/zinc/01/99/72/442019972.db2.gz MLTMFYUSEWZAMG-UHOFOFEASA-N 0 3 326.462 1.972 40 0 EDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cn1 ZINC000096108765 442033656 /nfs/dbraw/zinc/03/36/56/442033656.db2.gz MOMAHOLDUYGIES-QZTJIDSGSA-N 0 3 335.448 1.312 40 0 EDABHN Cc1nc[nH]c1CN1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096224786 442093239 /nfs/dbraw/zinc/09/32/39/442093239.db2.gz XTWZGPXNTUDTHM-AWEZNQCLSA-N 0 3 328.420 1.744 40 0 EDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096207462 442081482 /nfs/dbraw/zinc/08/14/82/442081482.db2.gz AUOPSLWWKHKSKL-AWEZNQCLSA-N 0 3 332.400 1.390 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)cn1 ZINC000096249436 442102347 /nfs/dbraw/zinc/10/23/47/442102347.db2.gz OVWWKDRAUJBMEU-ZWKOTPCHSA-N 0 3 327.432 1.685 40 0 EDABHN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096263046 442108625 /nfs/dbraw/zinc/10/86/25/442108625.db2.gz FMEHSOQUZWBAAO-INIZCTEOSA-N 0 3 340.427 1.519 40 0 EDABHN Cn1cccc1C(=O)NC[C@@H]1Cn2nccc2CN(CC2CC2)C1 ZINC000248148902 442884110 /nfs/dbraw/zinc/88/41/10/442884110.db2.gz SSTPWTVBJIACKH-HNNXBMFYSA-N 0 3 327.432 1.493 40 0 EDABHN CN1CCN(CCCNC(=O)COc2cccc3ccccc32)CC1 ZINC000195004517 442975529 /nfs/dbraw/zinc/97/55/29/442975529.db2.gz PMHSEBAAEDEPER-UHFFFAOYSA-N 0 3 341.455 1.972 40 0 EDABHN CN(CCC(=O)N1CCO[C@H](c2ccncc2)C1)Cc1cccnc1 ZINC000257301921 443137472 /nfs/dbraw/zinc/13/74/72/443137472.db2.gz SAOKWBUBIHQXGP-SFHVURJKSA-N 0 3 340.427 1.899 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257324305 443147868 /nfs/dbraw/zinc/14/78/68/443147868.db2.gz WOCBNYWARMMRGC-MRXNPFEDSA-N 0 3 327.432 1.186 40 0 EDABHN CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000245289671 443220063 /nfs/dbraw/zinc/22/00/63/443220063.db2.gz DJFCRFFWDDSKIX-VNKQVBPSSA-N 0 3 346.475 1.922 40 0 EDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000298154260 443705731 /nfs/dbraw/zinc/70/57/31/443705731.db2.gz ZACCELQOVPXZAK-OAHLLOKOSA-N 0 3 342.443 1.427 40 0 EDABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306134090 444286760 /nfs/dbraw/zinc/28/67/60/444286760.db2.gz NDFFJBQZSJTZEE-KBPBESRZSA-N 0 3 341.415 1.458 40 0 EDABHN CN(C)CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12 ZINC000096184998 282109635 /nfs/dbraw/zinc/10/96/35/282109635.db2.gz DWLKQMQHJXWGEI-JQHSSLGASA-N 0 3 343.427 1.586 40 0 EDABHN NCC1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218448973 241325398 /nfs/dbraw/zinc/32/53/98/241325398.db2.gz RHVLHVIVOKPUKP-CVEARBPZSA-N 0 3 334.416 1.669 40 0 EDABHN c1csc(CN[C@H]2CN3CCOC[C@H]3[C@@H]2OCc2ccccn2)c1 ZINC000253595830 244029473 /nfs/dbraw/zinc/02/94/73/244029473.db2.gz JKSLCDSVADZBPM-OKZBNKHCSA-N 0 3 345.468 1.901 40 0 EDABHN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257215667 244167601 /nfs/dbraw/zinc/16/76/01/244167601.db2.gz CRDMKYKCQYQNGD-LJQANCHMSA-N 0 3 342.395 1.466 40 0 EDABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000257229485 244206666 /nfs/dbraw/zinc/20/66/66/244206666.db2.gz FYHKINDRHHYHSF-LBPRGKRZSA-N 0 3 335.433 1.343 40 0 EDABHN O=C(CN1CCCC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292008 212011994 /nfs/dbraw/zinc/01/19/94/212011994.db2.gz SQZYSYGLQHNKOE-HNNXBMFYSA-N 0 3 344.459 1.381 40 0 EDABHN Cc1ccc2occ(CN3C[C@@H]4C[C@@H](O)CN4C[C@H]3C)c(=O)c2c1 ZINC000019219824 212005620 /nfs/dbraw/zinc/00/56/20/212005620.db2.gz DJUKZDXNQNBIMR-VNQPRFMTSA-N 0 3 328.412 1.741 40 0 EDABHN CCn1c2ccccc2nc1N1CCC(C(=O)NCCN(C)C)CC1 ZINC000012116391 211295764 /nfs/dbraw/zinc/29/57/64/211295764.db2.gz BJQFTMHDJVQKCY-UHFFFAOYSA-N 0 3 343.475 1.950 40 0 EDABHN Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@@H]2c1ccccc1 ZINC000009289430 211061119 /nfs/dbraw/zinc/06/11/19/211061119.db2.gz ORICMVGGUBACQP-INIZCTEOSA-N 0 3 338.415 1.128 40 0 EDABHN CC(C)N(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392956 277523617 /nfs/dbraw/zinc/52/36/17/277523617.db2.gz KTBYPKYWTOUDFF-INIZCTEOSA-N 0 3 333.432 1.983 40 0 EDABHN O=c1[nH]c2cc3c(cc2cc1CNCCCN1CCOCC1)OCO3 ZINC000013998417 441168697 /nfs/dbraw/zinc/16/86/97/441168697.db2.gz FRNBUOKYEURFHP-UHFFFAOYSA-N 0 3 345.399 1.069 40 0 EDABHN CC(=O)N[C@]12CN(C(=O)Cc3ccc(C)c(C)c3)C[C@H]1CCN(C)C2 ZINC000019713741 441259989 /nfs/dbraw/zinc/25/99/89/441259989.db2.gz KPXNRZFEFGUARR-UYAOXDASSA-N 0 3 343.471 1.515 40 0 EDABHN Cc1nc(CN2CC[C@]3(C2)COCCN([C@H]2CCOC2)C3)cs1 ZINC000107781475 441429690 /nfs/dbraw/zinc/42/96/90/441429690.db2.gz DSQPXAREROMCBL-DLBZAZTESA-N 0 3 337.489 1.765 40 0 EDABHN CN(C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]12 ZINC000107201761 441403468 /nfs/dbraw/zinc/40/34/68/441403468.db2.gz YPHDXHBHJWPMMQ-WQVCFCJDSA-N 0 3 342.436 1.413 40 0 EDABHN c1cc(CN2CCOC[C@@]3(CN(C[C@H]4CCOC4)CCO3)C2)ccn1 ZINC000107237445 441405096 /nfs/dbraw/zinc/40/50/96/441405096.db2.gz NIZUIXPMYNVJKN-MOPGFXCFSA-N 0 3 347.459 1.021 40 0 EDABHN O=C([C@@H]1CCC[C@@]12CCN(Cc1ccncc1)C2)N1CCOCC1 ZINC000108526286 441458828 /nfs/dbraw/zinc/45/88/28/441458828.db2.gz HZNYWWJHQOOTIH-HKUYNNGSSA-N 0 3 329.444 1.933 40 0 EDABHN Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108534930 441462129 /nfs/dbraw/zinc/46/21/29/441462129.db2.gz PNAMMCLSYFLJBK-SJLPKXTDSA-N 0 3 332.448 1.271 40 0 EDABHN CN(C)CCN1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049772 441997670 /nfs/dbraw/zinc/99/76/70/441997670.db2.gz UXOVFFIUPNLMJI-KRWDZBQOSA-N 0 3 339.505 1.213 40 0 EDABHN Cn1cccc1CN1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096063792 442010531 /nfs/dbraw/zinc/01/05/31/442010531.db2.gz OVAHLJNPNYOFLE-RBUKOAKNSA-N 0 3 326.444 1.895 40 0 EDABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NCC(C)C ZINC000096082970 442024310 /nfs/dbraw/zinc/02/43/10/442024310.db2.gz GLXQPRQBKYUONX-ARFHVFGLSA-N 0 3 344.521 1.540 40 0 EDABHN CN(C)CCN1CCC2(CCN(C(=O)c3cccnc3)CC2)C1=O ZINC000096157752 442047986 /nfs/dbraw/zinc/04/79/86/442047986.db2.gz QDAFRISEPNUAKO-UHFFFAOYSA-N 0 3 330.432 1.098 40 0 EDABHN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CN(C)C)OC[C@H]3C2)cc1 ZINC000096185258 442059232 /nfs/dbraw/zinc/05/92/32/442059232.db2.gz BHRFPLDOPCVNCF-OIISXLGYSA-N 0 3 338.473 1.582 40 0 EDABHN CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000096185448 442059450 /nfs/dbraw/zinc/05/94/50/442059450.db2.gz OZSFRNWUAOMAQJ-CWRNSKLLSA-N 0 3 342.436 1.212 40 0 EDABHN Cn1cccc1C(=O)NCc1cnc2n1CCN(CC1CC1)CC2 ZINC000096197071 442070305 /nfs/dbraw/zinc/07/03/05/442070305.db2.gz VORNNMXRAPVGCY-UHFFFAOYSA-N 0 3 327.432 1.420 40 0 EDABHN c1nc2n(c1CNc1ccccn1)CCN(C1CCOCC1)CC2 ZINC000096197124 442070422 /nfs/dbraw/zinc/07/04/22/442070422.db2.gz OSVUZYAAJHZAEL-UHFFFAOYSA-N 0 3 327.432 1.927 40 0 EDABHN COCCNC(=O)C[C@@H]1OC[C@H]2CN(Cc3ccc(C)o3)CC[C@H]21 ZINC000096206173 442079683 /nfs/dbraw/zinc/07/96/83/442079683.db2.gz CSJPSXZAZRXFBT-OIISXLGYSA-N 0 3 336.432 1.578 40 0 EDABHN COCC(=O)N1CCC2(C[C@H](COC)N(Cc3cccnc3)C2)CC1 ZINC000096216099 442087554 /nfs/dbraw/zinc/08/75/54/442087554.db2.gz UCLREFBSOGORHA-QGZVFWFLSA-N 0 3 347.459 1.558 40 0 EDABHN c1cc(CN2CCc3ncnc(N4CCOCC4)c3CC2)cs1 ZINC000096255704 442106176 /nfs/dbraw/zinc/10/61/76/442106176.db2.gz XABNQLCIEAJGQO-UHFFFAOYSA-N 0 3 330.457 1.976 40 0 EDABHN CC[C@H](CN1CCCCC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@@H]12 ZINC000248253902 442886558 /nfs/dbraw/zinc/88/65/58/442886558.db2.gz UAKPYRQPXYEEHT-BZUAXINKSA-N 0 3 344.459 1.601 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC000257275659 443126708 /nfs/dbraw/zinc/12/67/08/443126708.db2.gz NQHQXPDNBXGVBL-UONOGXRCSA-N 0 3 332.448 1.956 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000257275659 443126710 /nfs/dbraw/zinc/12/67/10/443126710.db2.gz NQHQXPDNBXGVBL-UONOGXRCSA-N 0 3 332.448 1.956 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C[C@H]1CCOC1)C2 ZINC000257275659 443126715 /nfs/dbraw/zinc/12/67/15/443126715.db2.gz NQHQXPDNBXGVBL-UONOGXRCSA-N 0 3 332.448 1.956 40 0 EDABHN Cc1cn([C@H]2CCN(Cc3cccs3)CC[C@@H]2O)c(=O)[nH]c1=O ZINC000585260798 448715914 /nfs/dbraw/zinc/71/59/14/448715914.db2.gz QMGIAXMFEXOSCP-KBPBESRZSA-N 0 3 335.429 1.517 40 0 EDABHN Cc1cc(=O)n2c(n1)NC(=NC[C@@H]1CCCO1)N[C@H]2c1cccnc1 ZINC000101983210 219177641 /nfs/dbraw/zinc/17/76/41/219177641.db2.gz UYGMGFSNXFXIQK-DZGCQCFKSA-N 0 3 340.387 1.044 40 0 EDABHN CNCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 ZINC000072363276 216169887 /nfs/dbraw/zinc/16/98/87/216169887.db2.gz KSYGBHLTFHJJQP-ZDUSSCGKSA-N 0 3 326.404 1.807 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218203892 241306245 /nfs/dbraw/zinc/30/62/45/241306245.db2.gz GISYQPJWARCQMP-FRRDWIJNSA-N 0 3 348.262 1.287 40 0 EDABHN CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257213763 244161335 /nfs/dbraw/zinc/16/13/35/244161335.db2.gz CIZLCFAZMVXYCE-MRXNPFEDSA-N 0 3 326.400 1.000 40 0 EDABHN NC(=O)c1cccc(C[C@H]2COCCN(Cc3cccs3)C2)n1 ZINC000257221587 244186595 /nfs/dbraw/zinc/18/65/95/244186595.db2.gz DPTDHZWMBYZRLX-CYBMUJFWSA-N 0 3 331.441 1.933 40 0 EDABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc(OC)c1OC ZINC000019575856 212045178 /nfs/dbraw/zinc/04/51/78/212045178.db2.gz DZDZQFGBRSXCJD-AEGPPILISA-N 0 3 336.432 1.352 40 0 EDABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286370 212010609 /nfs/dbraw/zinc/01/06/09/212010609.db2.gz XOZKNKSRFKQQPL-UONOGXRCSA-N 0 3 339.395 1.939 40 0 EDABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286370 212010611 /nfs/dbraw/zinc/01/06/11/212010611.db2.gz XOZKNKSRFKQQPL-UONOGXRCSA-N 0 3 339.395 1.939 40 0 EDABHN Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019238285 212008772 /nfs/dbraw/zinc/00/87/72/212008772.db2.gz ITKMDYGAVAMXGU-BBRMVZONSA-N 0 3 340.431 1.552 40 0 EDABHN COCC(=O)N[C@H]1[C@H](c2ccccc2)N(CC2CC2)CC[C@@]1(C)O ZINC000514289203 257846654 /nfs/dbraw/zinc/84/66/54/257846654.db2.gz FXGNKTREBUNOMA-GBESFXJTSA-N 0 3 332.444 1.726 40 0 biogenic,in-vitro EDABHN CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218585056 285955428 /nfs/dbraw/zinc/95/54/28/285955428.db2.gz MPSWWIWTYUUGEJ-VNHYZAJKSA-N 0 3 329.393 1.234 40 0 EDABHN COCc1c(C)onc1C(=O)N1CCO[C@H](c2cc(N)cc(C)n2)C1 ZINC000257232812 277269770 /nfs/dbraw/zinc/26/97/70/277269770.db2.gz GMNPIZDGFCHFNG-HNNXBMFYSA-N 0 3 346.387 1.629 40 0 EDABHN CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)n1 ZINC000257300681 278125162 /nfs/dbraw/zinc/12/51/62/278125162.db2.gz RVHHQFGJBWDHOE-SFHVURJKSA-N 0 3 344.459 1.723 40 0 EDABHN CC1CCN(Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)CC1 ZINC000044903640 440904707 /nfs/dbraw/zinc/90/47/07/440904707.db2.gz WPQMGKNWGVWUKK-UHFFFAOYSA-N 0 3 329.444 1.833 40 0 EDABHN COC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc(C)c(Cl)c2)n1 ZINC000013634066 441162872 /nfs/dbraw/zinc/16/28/72/441162872.db2.gz RWXWRHRCSLVFQD-UHFFFAOYSA-N 0 3 349.778 1.906 40 0 EDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCO1 ZINC000107713903 441427902 /nfs/dbraw/zinc/42/79/02/441427902.db2.gz NJIUAFWDLTWFRE-OIISXLGYSA-N 0 3 334.391 1.684 40 0 EDABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108524446 441459638 /nfs/dbraw/zinc/45/96/38/441459638.db2.gz LSLYHEXSEMGNRP-UHFFFAOYSA-N 0 3 345.472 1.970 40 0 EDABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(CC1CCOCC1)C2 ZINC000096048727 441996179 /nfs/dbraw/zinc/99/61/79/441996179.db2.gz ONMPEJQXGCKNGO-GOSISDBHSA-N 0 3 330.432 1.722 40 0 EDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21)N1CCCC1 ZINC000096058270 442006605 /nfs/dbraw/zinc/00/66/05/442006605.db2.gz TVMFDEGMCFNBHA-FGTMMUONSA-N 0 3 329.444 1.931 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(Cc1cccnc1)CCC2 ZINC000096084341 442024653 /nfs/dbraw/zinc/02/46/53/442024653.db2.gz GUAJSORIRGPRIM-UHFFFAOYSA-N 0 3 330.436 1.157 40 0 EDABHN O=C(c1ccsc1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 ZINC000096158919 442047849 /nfs/dbraw/zinc/04/78/49/442047849.db2.gz BFPZCZPRCJGBNX-HNNXBMFYSA-N 0 3 336.457 1.844 40 0 EDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000096182306 442056547 /nfs/dbraw/zinc/05/65/47/442056547.db2.gz JLNGQLIUKFVGRR-GASCZTMLSA-N 0 3 326.375 1.820 40 0 EDABHN COc1cccc(CN2CC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)c1 ZINC000096205909 442079587 /nfs/dbraw/zinc/07/95/87/442079587.db2.gz OCJMUNOWGGGGGL-MJGOQNOKSA-N 0 3 348.443 1.533 40 0 EDABHN CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096206844 442080796 /nfs/dbraw/zinc/08/07/96/442080796.db2.gz FMGZQEWKVWDLJR-WBVHZDCISA-N 0 3 338.473 1.834 40 0 EDABHN CC(C)(C)OC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O ZINC000265540626 442816563 /nfs/dbraw/zinc/81/65/63/442816563.db2.gz KPKXBGLKFPRIOJ-CRAIPNDOSA-N 0 3 336.432 1.509 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)CN)cc1 ZINC000252513926 443038909 /nfs/dbraw/zinc/03/89/09/443038909.db2.gz AXBGAARAMWESOR-BRWVUGGUSA-N 0 3 334.416 1.730 40 0 EDABHN O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCCN2)n1 ZINC000218378361 443057972 /nfs/dbraw/zinc/05/79/72/443057972.db2.gz DJSCGSYDSRQPNZ-ZDUSSCGKSA-N 0 3 326.356 1.723 40 0 EDABHN Nc1nc2c(c(N)n1)C[C@@]1(CCCN(Cc3ccncc3)CC1)O2 ZINC000257200606 443124245 /nfs/dbraw/zinc/12/42/45/443124245.db2.gz AEAIMMXWLVLXRR-KRWDZBQOSA-N 0 3 326.404 1.396 40 0 EDABHN CN1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257333255 443151588 /nfs/dbraw/zinc/15/15/88/443151588.db2.gz YAVTTYCGEQQOHS-CYBMUJFWSA-N 0 3 332.404 1.792 40 0 EDABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCNC(=O)C2)CC1 ZINC000257337931 443154039 /nfs/dbraw/zinc/15/40/39/443154039.db2.gz YVBJUUQWHFHKAJ-UHFFFAOYSA-N 0 3 333.407 1.039 40 0 EDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000298133559 444425673 /nfs/dbraw/zinc/42/56/73/444425673.db2.gz IZYRAGMRXBDXCD-GFCCVEGCSA-N 0 3 335.404 1.243 40 0 EDABHN CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)n1 ZINC000329044232 444456317 /nfs/dbraw/zinc/45/63/17/444456317.db2.gz SVGVTXXYSNYNJT-UHFFFAOYSA-N 0 3 347.444 1.427 40 0 EDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289533 448161063 /nfs/dbraw/zinc/16/10/63/448161063.db2.gz NKMKSNSKXMBMJB-WOJBJXKFSA-N 0 3 343.515 1.690 40 0 biogenic,in-vitro EDABHN Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)n1 ZINC000585094818 448677443 /nfs/dbraw/zinc/67/74/43/448677443.db2.gz NURBIRGWDZCJJM-OAHLLOKOSA-N 0 3 339.443 1.786 40 0 EDABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCC2)C1 ZINC000585283494 448731638 /nfs/dbraw/zinc/73/16/38/448731638.db2.gz OXBWPHNCLQMUGT-PKOBYXMFSA-N 0 3 332.444 1.039 40 0 EDABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 ZINC000585286861 448732406 /nfs/dbraw/zinc/73/24/06/448732406.db2.gz JRAQIFJMYCNQDS-PMACEKPBSA-N 0 3 349.471 1.967 40 0 EDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 ZINC000218524405 564061678 /nfs/dbraw/zinc/06/16/78/564061678.db2.gz GPAMHLUBMHNDQF-FGTMMUONSA-N 0 3 330.453 1.899 40 0 EDABHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COC2CCCCC2)C1 ZINC000037238881 213136402 /nfs/dbraw/zinc/13/64/02/213136402.db2.gz DXUPJBKWHBRLDL-BBWFWOEESA-N 0 3 346.471 1.978 40 0 EDABHN CNCC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360924 216167710 /nfs/dbraw/zinc/16/77/10/216167710.db2.gz HXEMAVOCUOJFJP-LBPRGKRZSA-N 0 3 332.433 1.868 40 0 EDABHN COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000072363182 216169707 /nfs/dbraw/zinc/16/97/07/216169707.db2.gz HBHHMIREYQXWHE-CYBMUJFWSA-N 0 3 342.399 1.942 40 0 EDABHN Cn1nc(C2CN(C(=O)[C@]3(C)CCCCN3C)C2)c2nccnc21 ZINC000072367337 216174260 /nfs/dbraw/zinc/17/42/60/216174260.db2.gz CPASHOLSDFEXLJ-KRWDZBQOSA-N 0 3 328.420 1.164 40 0 EDABHN CNC(=O)c1c[nH]nc1[C@@]1(C)CCCN(CC2(O)CCCCC2)C1 ZINC000072388821 216189845 /nfs/dbraw/zinc/18/98/45/216189845.db2.gz VYIKXJXSXNODIG-KRWDZBQOSA-N 0 3 334.464 1.818 40 0 EDABHN COC(=O)[C@H]1C[C@@H](O)[C@@H](N2CCC(N(C)c3ccccc3)CC2)C1 ZINC000195535713 240990607 /nfs/dbraw/zinc/99/06/07/240990607.db2.gz MWXZCIWSPROVKE-FHLIZLRMSA-N 0 3 332.444 1.900 40 0 EDABHN O=C([C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CCOCC1 ZINC000253615443 244039048 /nfs/dbraw/zinc/03/90/48/244039048.db2.gz OJWFSXGKBVUKID-PKOBYXMFSA-N 0 3 329.444 1.933 40 0 EDABHN O=C(c1cnco1)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000257199947 244116311 /nfs/dbraw/zinc/11/63/11/244116311.db2.gz ABJQGFHJVRUABB-IRXDYDNUSA-N 0 3 341.411 1.698 40 0 EDABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391478 217218371 /nfs/dbraw/zinc/21/83/71/217218371.db2.gz JWQFFRBLKNVBKQ-KBPBESRZSA-N 0 3 325.453 1.970 40 0 EDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1C ZINC000010339408 211167069 /nfs/dbraw/zinc/16/70/69/211167069.db2.gz QBSQLDIJHHESLE-GJZGRUSLSA-N 0 3 345.399 1.033 40 0 EDABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096220718 218697326 /nfs/dbraw/zinc/69/73/26/218697326.db2.gz RBSQOBNQXMVWLY-HNNXBMFYSA-N 0 3 338.473 1.882 40 0 EDABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCCN3)nc2n(C)c1=O ZINC000072354420 274885843 /nfs/dbraw/zinc/88/58/43/274885843.db2.gz ULFFTEDOELGQDV-SECBINFHSA-N 0 3 342.321 1.466 40 0 EDABHN CN1CC2(C[C@H]1COCC1CC1)CCN(S(=O)(=O)C1CC1)CC2 ZINC000096209250 277022826 /nfs/dbraw/zinc/02/28/26/277022826.db2.gz IMZVFKNPQSNGND-HNNXBMFYSA-N 0 3 342.505 1.692 40 0 EDABHN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1CC1(O)CCOCC1 ZINC000257300157 278125156 /nfs/dbraw/zinc/12/51/56/278125156.db2.gz RTDQJOSINKJQMC-INIZCTEOSA-N 0 3 348.447 1.100 40 0 EDABHN CN1CCN(C[C@H]2Cn3ccnc3CN(Cc3ccncc3)C2)CC1 ZINC000096188533 290046922 /nfs/dbraw/zinc/04/69/22/290046922.db2.gz CIJCKZSLMIYDCY-GOSISDBHSA-N 0 3 340.475 1.158 40 0 EDABHN C[C@@H](NC(=O)[C@H](O)CN1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000001275122 440840879 /nfs/dbraw/zinc/84/08/79/440840879.db2.gz LQMCJXNMRPKICH-CKEIUWERSA-N 0 3 334.416 1.178 40 0 EDABHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(N)=O ZINC000005906113 440973108 /nfs/dbraw/zinc/97/31/08/440973108.db2.gz QAWKIPUNHFJSJA-UHFFFAOYSA-N 0 3 330.812 1.463 40 0 EDABHN COc1ccc(CCC(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000061524329 441274941 /nfs/dbraw/zinc/27/49/41/441274941.db2.gz ZTRNZOQPAYGGHV-UHFFFAOYSA-N 0 3 349.475 1.390 40 0 EDABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2)ccc1C ZINC000074966450 441482832 /nfs/dbraw/zinc/48/28/32/441482832.db2.gz XHLDRZADJGIBQU-UHFFFAOYSA-N 0 3 340.445 1.546 40 0 EDABHN CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 ZINC000108527975 441460210 /nfs/dbraw/zinc/46/02/10/441460210.db2.gz URFOBTOMRFCLKW-OAHLLOKOSA-N 0 3 339.461 1.144 40 0 EDABHN CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CCN4CCCC4)C[C@H]3O2)CC1 ZINC000096042771 441991074 /nfs/dbraw/zinc/99/10/74/441991074.db2.gz JGRUGFOVNULHGV-IPMKNSEASA-N 0 3 349.519 1.820 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000096043424 441992507 /nfs/dbraw/zinc/99/25/07/441992507.db2.gz ZOUIBISNJNHIEL-BZUAXINKSA-N 0 3 338.473 1.738 40 0 EDABHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000096038619 441983346 /nfs/dbraw/zinc/98/33/46/441983346.db2.gz DXTKXIKTGHJFIE-FVQBIDKESA-N 0 3 339.399 1.205 40 0 EDABHN O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096064626 442012183 /nfs/dbraw/zinc/01/21/83/442012183.db2.gz NJXFLEHGXVMNTE-SZMVWBNQSA-N 0 3 347.459 1.889 40 0 EDABHN CO[C@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109483 442034987 /nfs/dbraw/zinc/03/49/87/442034987.db2.gz LEUIHZPNVMOCQP-OTWHNJEPSA-N 0 3 341.459 1.536 40 0 EDABHN O=C(c1ccnnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161703 442051113 /nfs/dbraw/zinc/05/11/13/442051113.db2.gz PMDYFLUXPWAMPI-IYBDPMFKSA-N 0 3 326.375 1.820 40 0 EDABHN CN(C)CCn1c(=O)ccc2c1CCN(Cc1cccnc1)CC2 ZINC000096196649 442069580 /nfs/dbraw/zinc/06/95/80/442069580.db2.gz ZAPBIRIWZVQVQS-UHFFFAOYSA-N 0 3 326.444 1.406 40 0 EDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cn1 ZINC000096206237 442079582 /nfs/dbraw/zinc/07/95/82/442079582.db2.gz PTCNKKTYCWBTTK-AEFFLSMTSA-N 0 3 328.416 1.480 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)NCc1cccnc1 ZINC000096206569 442080192 /nfs/dbraw/zinc/08/01/92/442080192.db2.gz QMFWQQGRQFCQIG-APWZRJJASA-N 0 3 341.411 1.830 40 0 EDABHN O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096206327 442080528 /nfs/dbraw/zinc/08/05/28/442080528.db2.gz BQURBFZVDDUYMQ-WMLDXEAASA-N 0 3 331.416 1.735 40 0 EDABHN CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096207268 442081382 /nfs/dbraw/zinc/08/13/82/442081382.db2.gz MBAYCLYXSCFFTD-GVDBMIGSSA-N 0 3 349.500 1.502 40 0 EDABHN Cc1noc(C)c1CN1CCC2(CC1)C(=O)NCCN2CC(C)C ZINC000096230171 442097666 /nfs/dbraw/zinc/09/76/66/442097666.db2.gz ZRFFQRHUBQYVGT-UHFFFAOYSA-N 0 3 334.464 1.714 40 0 EDABHN O=C(COCc1nnn2c1CN(CC1CC1)CCC2)N1CCCC1 ZINC000096259005 442107625 /nfs/dbraw/zinc/10/76/25/442107625.db2.gz HNLVGFOUTULXTP-UHFFFAOYSA-N 0 3 333.436 1.033 40 0 EDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125019 442883343 /nfs/dbraw/zinc/88/33/43/442883343.db2.gz OJPUKMKVQWLMGV-VQIMIIECSA-N 0 3 348.443 1.727 40 0 EDABHN Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CCN(C)Cc1cccnc1 ZINC000257304796 443139687 /nfs/dbraw/zinc/13/96/87/443139687.db2.gz SNEQOQJFZRJKGR-INIZCTEOSA-N 0 3 343.431 1.535 40 0 EDABHN COc1ncccc1C(=O)N1CCOC[C@]2(CC[C@@H](CN(C)C)O2)C1 ZINC000306141014 444287819 /nfs/dbraw/zinc/28/78/19/444287819.db2.gz VIZPACBTCWMLGO-KSSFIOAISA-N 0 3 349.431 1.042 40 0 EDABHN COCCN1C[C@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC000585104965 448688161 /nfs/dbraw/zinc/68/81/61/448688161.db2.gz WPDORFUJZGDTQN-LJQANCHMSA-N 0 3 332.444 1.692 40 0 EDABHN CC(=O)N1CCC(N2CCC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585269256 448716756 /nfs/dbraw/zinc/71/67/56/448716756.db2.gz MZZUZHUHSPSPJE-LJQANCHMSA-N 0 3 332.444 1.903 40 0 EDABHN CN1C[C@H](COCc2cccnc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093939 448677077 /nfs/dbraw/zinc/67/70/77/448677077.db2.gz RBCQQKQMKDOJIC-MRXNPFEDSA-N 0 3 327.432 1.528 40 0 EDABHN Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)n1 ZINC000585098161 448682063 /nfs/dbraw/zinc/68/20/63/448682063.db2.gz VHTNEKGKJDWMBC-MRXNPFEDSA-N 0 3 342.447 1.056 40 0 EDABHN C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C1CCOCC1 ZINC000585098022 448682377 /nfs/dbraw/zinc/68/23/77/448682377.db2.gz QMLHPRWOAYJMRO-AWEZNQCLSA-N 0 3 343.431 1.678 40 0 EDABHN CN(C)C(=O)C[C@]1(O)COCCN(Cc2cccc3cccnc32)C1 ZINC000585281286 448730586 /nfs/dbraw/zinc/73/05/86/448730586.db2.gz VJZQNDVVEDYGJN-LJQANCHMSA-N 0 3 343.427 1.276 40 0 EDABHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)nc1 ZINC000257248805 536020653 /nfs/dbraw/zinc/02/06/53/536020653.db2.gz JFHAZURECWCLCV-AWEZNQCLSA-N 0 3 343.387 1.322 40 0 EDABHN C[NH+](C)CCCN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000054095919 214215794 /nfs/dbraw/zinc/21/57/94/214215794.db2.gz ZOKZBSKIZYSIMX-ZDUSSCGKSA-N 0 3 327.812 1.663 40 0 EDABHN CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCN(C(=O)CN)C1 ZINC000257218198 244173324 /nfs/dbraw/zinc/17/33/24/244173324.db2.gz DCFLJVDFDFIUHO-GOSISDBHSA-N 0 3 332.448 1.060 40 0 EDABHN CNc1cc([C@@H]2CCCN2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 ZINC000257245292 244255942 /nfs/dbraw/zinc/25/59/42/244255942.db2.gz IOWGDKKGRGACDN-INIZCTEOSA-N 0 3 347.463 1.337 40 0 EDABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[NH2+]C3)nc2C1 ZINC000257241420 244245935 /nfs/dbraw/zinc/24/59/35/244245935.db2.gz HXZNFBQQRCYEPV-NSHDSACASA-N 0 3 342.374 1.597 40 0 EDABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)[n-]c2=O)C1 ZINC000019590727 212049231 /nfs/dbraw/zinc/04/92/31/212049231.db2.gz GOQYYBBXSXCCHW-HNNXBMFYSA-N 0 3 346.431 1.055 40 0 EDABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)[n-]c2=O)C1 ZINC000019590727 212049233 /nfs/dbraw/zinc/04/92/33/212049233.db2.gz GOQYYBBXSXCCHW-HNNXBMFYSA-N 0 3 346.431 1.055 40 0 EDABHN Cn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCCN1CCCC1 ZINC000096045314 218531289 /nfs/dbraw/zinc/53/12/89/218531289.db2.gz FYONTEMEDZBYND-INIZCTEOSA-N 0 3 347.463 1.153 40 0 EDABHN CN1CCC(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cccs2)CC1 ZINC000096063852 218558537 /nfs/dbraw/zinc/55/85/37/218558537.db2.gz BTZVBIHLZWZINZ-CABCVRRESA-N 0 3 347.484 1.905 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039546 276763024 /nfs/dbraw/zinc/76/30/24/276763024.db2.gz VUDCCYSVOXEDQX-HKUYNNGSSA-N 0 3 347.459 1.671 40 0 EDABHN Cn1c2[nH]c(SCCN3CCCCC3)nc2c(=O)n(C)c1=S ZINC000001657080 440849406 /nfs/dbraw/zinc/84/94/06/440849406.db2.gz VHSLUSJLIQSFMG-UHFFFAOYSA-N 0 3 339.490 1.908 40 0 EDABHN O=c1cc([C@H]2CCC[N@H+](CC3CCCC3)C2)nc(N2CCOCC2)[n-]1 ZINC000019291979 441256353 /nfs/dbraw/zinc/25/63/53/441256353.db2.gz QYDNTRZTFNPIKF-INIZCTEOSA-N 0 3 346.475 1.976 40 0 EDABHN O=c1cc([C@H]2CCC[N@@H+](CC3CCCC3)C2)nc(N2CCOCC2)[n-]1 ZINC000019291979 441256357 /nfs/dbraw/zinc/25/63/57/441256357.db2.gz QYDNTRZTFNPIKF-INIZCTEOSA-N 0 3 346.475 1.976 40 0 EDABHN CCOc1ccc([C@H](N)c2nnc(Cn3cncn3)[nH]2)cc1OCC ZINC000095534544 441951894 /nfs/dbraw/zinc/95/18/94/441951894.db2.gz UBIFZZZJMJAORN-HNNXBMFYSA-N 0 3 343.391 1.290 40 0 EDABHN CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNCc1cccs1)OCC2 ZINC000096059727 442007685 /nfs/dbraw/zinc/00/76/85/442007685.db2.gz YFRCSAOJTDKCQF-CQSZACIVSA-N 0 3 334.445 1.436 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)cn1 ZINC000096061166 442008051 /nfs/dbraw/zinc/00/80/51/442008051.db2.gz BIKRWWBTWYOLKN-MRXNPFEDSA-N 0 3 332.448 1.460 40 0 EDABHN O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000096065240 442012474 /nfs/dbraw/zinc/01/24/74/442012474.db2.gz DXTKXIKTGHJFIE-BMFZPTHFSA-N 0 3 339.399 1.205 40 0 EDABHN CN1CCN(C[C@H]2Cn3ccnc3CN(Cc3ccccn3)C2)CC1 ZINC000096067023 442014723 /nfs/dbraw/zinc/01/47/23/442014723.db2.gz QOKIWLZKFCASDS-QGZVFWFLSA-N 0 3 340.475 1.158 40 0 EDABHN c1csc(CN[C@H]2CN3CCOC[C@@H]3[C@@H]2OCc2ccccn2)c1 ZINC000096068903 442017146 /nfs/dbraw/zinc/01/71/46/442017146.db2.gz JKSLCDSVADZBPM-RCCFBDPRSA-N 0 3 345.468 1.901 40 0 EDABHN CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1cccs1)CC2 ZINC000096228097 442096242 /nfs/dbraw/zinc/09/62/42/442096242.db2.gz SLBDOWMASYYEMI-UHFFFAOYSA-N 0 3 335.473 1.793 40 0 EDABHN Cn1cc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)cn1 ZINC000096159017 442049595 /nfs/dbraw/zinc/04/95/95/442049595.db2.gz MZVBOZMTBLHJQS-UHFFFAOYSA-N 0 3 328.420 1.082 40 0 EDABHN c1csc(CNC[C@@H]2COCc3c(-c4ccoc4)nnn3C2)n1 ZINC000096199383 442072865 /nfs/dbraw/zinc/07/28/65/442072865.db2.gz CHUVVDNFDZUYQX-NSHDSACASA-N 0 3 331.401 1.931 40 0 EDABHN COCCN1CC[C@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096201983 442078156 /nfs/dbraw/zinc/07/81/56/442078156.db2.gz PCXQCTNZODVUKN-GOSISDBHSA-N 0 3 335.448 1.261 40 0 EDABHN CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccsc1)CC2 ZINC000096228096 442096481 /nfs/dbraw/zinc/09/64/81/442096481.db2.gz XAUDEEVJUDGOLE-UHFFFAOYSA-N 0 3 335.473 1.793 40 0 EDABHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2CC1CCOCC1)c1ccco1 ZINC000247507018 442858395 /nfs/dbraw/zinc/85/83/95/442858395.db2.gz RTQBRMNUMUWYSQ-JZXOWHBKSA-N 0 3 348.443 1.915 40 0 EDABHN O=C(CN1Cc2ccnn2[C@@H](CN2CCCCC2)C1)N1CCCC1 ZINC000247759863 442867175 /nfs/dbraw/zinc/86/71/75/442867175.db2.gz GPOWLNQVNZLYEY-KRWDZBQOSA-N 0 3 331.464 1.348 40 0 EDABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)CC1 ZINC000257286873 443131475 /nfs/dbraw/zinc/13/14/75/443131475.db2.gz PNKPTMSJBUMVDP-FRFSOERESA-N 0 3 344.459 1.991 40 0 EDABHN CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4cccc(F)c4)C[C@@H]32)CC1 ZINC000306135920 444286532 /nfs/dbraw/zinc/28/65/32/444286532.db2.gz PEJZPTKVRANILE-YSIASYRMSA-N 0 3 347.478 1.910 40 0 EDABHN CN1C[C@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093819 448675242 /nfs/dbraw/zinc/67/52/42/448675242.db2.gz HOOAWFIUEDXYEO-MRXNPFEDSA-N 0 3 327.432 1.528 40 0 EDABHN CN1CCC(C(=O)N2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000585269227 448716841 /nfs/dbraw/zinc/71/68/41/448716841.db2.gz MCYKMOZFDOEYEV-AEFFLSMTSA-N 0 3 334.435 1.919 40 0 EDABHN CN(C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290134 448735810 /nfs/dbraw/zinc/73/58/10/448735810.db2.gz SXKJPHJOAHEESM-IVXDBISESA-N 0 3 332.444 1.972 40 0 EDABHN CN1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000072830350 216312541 /nfs/dbraw/zinc/31/25/41/216312541.db2.gz VLWUMNWWRNQWEM-HNNXBMFYSA-N 0 3 345.443 1.876 40 0 EDABHN NC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058638 241293508 /nfs/dbraw/zinc/29/35/08/241293508.db2.gz PUTKWDGOBAMMIB-OWCLPIDISA-N 0 3 336.844 1.936 40 0 EDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1 ZINC000257226588 244201710 /nfs/dbraw/zinc/20/17/10/244201710.db2.gz FLGWQABOMKRFFG-KRWDZBQOSA-N 0 3 343.431 1.698 40 0 EDABHN COc1ccc(C(=O)NCc2c[nH]c([C@H]3CCN(C)C3)n2)cc1F ZINC000257257232 244283596 /nfs/dbraw/zinc/28/35/96/244283596.db2.gz KOQWYWCUSGKDGM-LBPRGKRZSA-N 0 3 332.379 1.907 40 0 EDABHN CNCC(=O)N1CCC[C@H](c2cccc(CCC(=O)N(C)C)n2)C1 ZINC000257257540 244288135 /nfs/dbraw/zinc/28/81/35/244288135.db2.gz KQBIZOPDROWGPN-AWEZNQCLSA-N 0 3 332.448 1.028 40 0 EDABHN Cc1ncccc1O[C@H]1CCN(C(=O)C2CCN(C)CC2)CC[C@@H]1O ZINC000257269890 244372996 /nfs/dbraw/zinc/37/29/96/244372996.db2.gz MRVFUTCCMAVXOH-WMZOPIPTSA-N 0 3 347.459 1.463 40 0 EDABHN O=C(c1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000019888966 212079649 /nfs/dbraw/zinc/07/96/49/212079649.db2.gz MGMLMWRMBKORNH-UHFFFAOYSA-N 0 3 335.423 1.040 40 0 EDABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 ZINC000019583108 212047631 /nfs/dbraw/zinc/04/76/31/212047631.db2.gz MGSPTJUWOHZQAN-CQSZACIVSA-N 0 3 327.432 1.719 40 0 EDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575922 212045061 /nfs/dbraw/zinc/04/50/61/212045061.db2.gz MVIJQFAVAILYQB-MELADBBJSA-N 0 3 346.456 1.860 40 0 EDABHN CCN(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 ZINC000079412846 217221391 /nfs/dbraw/zinc/22/13/91/217221391.db2.gz HWDSCIZJCKXORD-GOEBONIOSA-N 0 3 333.432 1.983 40 0 EDABHN O=C(c1ccoc1)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186296 218652920 /nfs/dbraw/zinc/65/29/20/218652920.db2.gz UGVYXBOAFDRNEP-HOTGVXAUSA-N 0 3 331.416 1.581 40 0 EDABHN O=S(=O)(C1CC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1 ZINC000247360434 285035169 /nfs/dbraw/zinc/03/51/69/285035169.db2.gz ZFDIJLXKKDJKCG-HNNXBMFYSA-N 0 3 338.477 1.608 40 0 EDABHN CN(C)CCNc1nc(NCc2cccnc2)cc(-c2ccncc2)n1 ZINC000329063318 257901896 /nfs/dbraw/zinc/90/18/96/257901896.db2.gz XCLIEQCJRQYUKJ-UHFFFAOYSA-N 0 3 349.442 1.363 40 0 EDABHN O=C(CNCCN1CCOCC1)Nc1ccccc1N1CCCCC1 ZINC000035311434 132389181 /nfs/dbraw/zinc/38/91/81/132389181.db2.gz QSKSUWDDNGLYEW-UHFFFAOYSA-N 0 3 346.475 1.537 40 0 EDABHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000332823890 141239896 /nfs/dbraw/zinc/23/98/96/141239896.db2.gz GORFUKMZFZTXGJ-GJZGRUSLSA-N 0 3 335.452 1.410 40 0 EDABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108524330 279212191 /nfs/dbraw/zinc/21/21/91/279212191.db2.gz LHKIMAVKYRDURP-IEBWSBKVSA-N 0 3 346.475 1.580 40 0 EDABHN CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019460463 281399653 /nfs/dbraw/zinc/39/96/53/281399653.db2.gz DMAPTFUBGTZCKK-OCCSQVGLSA-N 0 3 344.415 1.128 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039560 289170955 /nfs/dbraw/zinc/17/09/55/289170955.db2.gz IUALFUOKFZVZTC-MJGOQNOKSA-N 0 3 347.459 1.671 40 0 EDABHN C[C@H](C(=O)NCCN(C)C)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010111632 441110474 /nfs/dbraw/zinc/11/04/74/441110474.db2.gz YTJJHPDSISQBPE-GFCCVEGCSA-N 0 3 347.440 1.415 40 0 EDABHN O=c1[n-]c(C2CC[NH2+]CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000013564028 441161339 /nfs/dbraw/zinc/16/13/39/441161339.db2.gz YHAPIKZFJRDFGO-UHFFFAOYSA-N 0 3 328.351 1.581 40 0 EDABHN O=C(CCn1cccn1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019406103 441257599 /nfs/dbraw/zinc/25/75/99/441257599.db2.gz LYOQCEKFMCTCLU-CQSZACIVSA-N 0 3 340.431 1.115 40 0 EDABHN c1ccc(CN2CCC[C@@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 ZINC000107790459 441430763 /nfs/dbraw/zinc/43/07/63/441430763.db2.gz BPLOUSSOLLXXLJ-PKOBYXMFSA-N 0 3 331.460 1.785 40 0 EDABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049479 441998068 /nfs/dbraw/zinc/99/80/68/441998068.db2.gz IHDZHZDDTHCYMH-KRWDZBQOSA-N 0 3 337.489 1.409 40 0 EDABHN O=C([C@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)N1CCCO1 ZINC000096040809 441987440 /nfs/dbraw/zinc/98/74/40/441987440.db2.gz DCDKIYCENNWLRM-OIISXLGYSA-N 0 3 334.391 1.684 40 0 EDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1 ZINC000096041497 441987757 /nfs/dbraw/zinc/98/77/57/441987757.db2.gz PLYVVHGUXXKSSE-NLWGTHIKSA-N 0 3 346.471 1.956 40 0 EDABHN COCCn1cc2c(n1)[C@H](CNCc1ccc(OC)cc1)OCC2 ZINC000096059702 442008516 /nfs/dbraw/zinc/00/85/16/442008516.db2.gz OQLBYQHHRXIROR-KRWDZBQOSA-N 0 3 331.416 1.942 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000096064774 442012805 /nfs/dbraw/zinc/01/28/05/442012805.db2.gz WDINDWQBAADGLD-PMPSAXMXSA-N 0 3 338.473 1.975 40 0 EDABHN CN(C)C(=O)CO[C@@H]1CO[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000096072345 442019014 /nfs/dbraw/zinc/01/90/14/442019014.db2.gz UBXRWUZKDUZISX-FUHWJXTLSA-N 0 3 336.407 1.664 40 0 EDABHN CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1sccc1C)C2 ZINC000096108380 442032676 /nfs/dbraw/zinc/03/26/76/442032676.db2.gz QZDCPJQEMXWCDH-HIFRSBDPSA-N 0 3 344.502 1.444 40 0 EDABHN COCCNC(=O)[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)O1 ZINC000096109925 442035240 /nfs/dbraw/zinc/03/52/40/442035240.db2.gz MXGBPCPOKZMIOW-INIZCTEOSA-N 0 3 336.432 1.864 40 0 EDABHN O=C([O-])[C@@]12C[N@H+](Cc3cccnc3)C[C@@H]1CN([C@@H]1CCOC1)CCC2 ZINC000096185209 442060029 /nfs/dbraw/zinc/06/00/29/442060029.db2.gz TWSNTSOZDJTUQN-LMMKCTJWSA-N 0 3 345.443 1.469 40 0 EDABHN O=C([O-])[C@@]12C[N@@H+](Cc3cccnc3)C[C@@H]1CN([C@@H]1CCOC1)CCC2 ZINC000096185209 442060033 /nfs/dbraw/zinc/06/00/33/442060033.db2.gz TWSNTSOZDJTUQN-LMMKCTJWSA-N 0 3 345.443 1.469 40 0 EDABHN O=C(NC1CC1)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC000096189770 442068429 /nfs/dbraw/zinc/06/84/29/442068429.db2.gz PBIZRHMNUMJDSN-MRXNPFEDSA-N 0 3 344.459 1.263 40 0 EDABHN Cc1cc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)oc1C ZINC000096201360 442076711 /nfs/dbraw/zinc/07/67/11/442076711.db2.gz ATTRZWLINJYMSK-UHFFFAOYSA-N 0 3 349.475 1.651 40 0 EDABHN COCCN1CC2(CCN(Cc3ccncc3)CC2)[C@@H](COC)C1=O ZINC000096207496 442081720 /nfs/dbraw/zinc/08/17/20/442081720.db2.gz IOTDQPXCQANSFZ-KRWDZBQOSA-N 0 3 347.459 1.415 40 0 EDABHN C[C@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@H]1O ZINC000253601657 443075168 /nfs/dbraw/zinc/07/51/68/443075168.db2.gz CVZZLBCUNSFKJF-MAUKXSAKSA-N 0 3 332.444 1.891 40 0 EDABHN CNCC(=O)N1CCC2(CO[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000257289239 443132673 /nfs/dbraw/zinc/13/26/73/443132673.db2.gz PXSHTRIQKDDLKN-KRWDZBQOSA-N 0 3 332.444 1.855 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)n1 ZINC000257343695 443155875 /nfs/dbraw/zinc/15/58/75/443155875.db2.gz ZUAWRBHWBRQYMM-INIZCTEOSA-N 0 3 329.404 1.403 40 0 EDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000298131336 444424676 /nfs/dbraw/zinc/42/46/76/444424676.db2.gz HORVRAYTLFDCPX-OAHLLOKOSA-N 0 3 337.851 1.599 40 0 EDABHN CC(C)CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289143 448160687 /nfs/dbraw/zinc/16/06/87/448160687.db2.gz IPWCQPOQFDGYEH-RBUKOAKNSA-N 0 3 329.488 1.648 40 0 biogenic,in-vitro EDABHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCCC4)C3)N2C1 ZINC000514289819 448160887 /nfs/dbraw/zinc/16/08/87/448160887.db2.gz PAIQJLFBHVBRPU-RBUKOAKNSA-N 0 3 342.487 1.329 40 0 biogenic,in-vitro EDABHN CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC(C)C)nn1 ZINC000008297987 563625459 /nfs/dbraw/zinc/62/54/59/563625459.db2.gz YVYVSWNXKRHBEX-OIISXLGYSA-N 0 3 333.480 1.856 40 0 biogenic,in-vitro EDABHN NCC(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 ZINC000100711932 219105205 /nfs/dbraw/zinc/10/52/05/219105205.db2.gz DCLAUOAXTHPWJU-OKILXGFUSA-N 0 3 340.431 1.964 40 0 EDABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072360880 216167326 /nfs/dbraw/zinc/16/73/26/216167326.db2.gz QJRZMWANPNDQKW-AWEZNQCLSA-N 0 3 340.431 1.897 40 0 EDABHN COCCNc1ccc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072366101 216171778 /nfs/dbraw/zinc/17/17/78/216171778.db2.gz YYFDSVMXNXCFBS-CQSZACIVSA-N 0 3 330.436 1.713 40 0 EDABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218146301 241301469 /nfs/dbraw/zinc/30/14/69/241301469.db2.gz RGFUOFHQFTZYBK-HRCADAONSA-N 0 3 341.429 1.297 40 0 EDABHN CNCC(=O)N1CCC[C@@H](c2cccc(CCC(=O)N(C)C)n2)C1 ZINC000257257541 244288400 /nfs/dbraw/zinc/28/84/00/244288400.db2.gz KQBIZOPDROWGPN-CQSZACIVSA-N 0 3 332.448 1.028 40 0 EDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]c(=O)c2C1 ZINC000019081280 212000053 /nfs/dbraw/zinc/00/00/53/212000053.db2.gz PXNNRNMFDVPTSM-LBPRGKRZSA-N 0 3 332.448 1.510 40 0 EDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]c(=O)c2C1 ZINC000019081280 212000055 /nfs/dbraw/zinc/00/00/55/212000055.db2.gz PXNNRNMFDVPTSM-LBPRGKRZSA-N 0 3 332.448 1.510 40 0 EDABHN CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079393119 217219326 /nfs/dbraw/zinc/21/93/26/217219326.db2.gz LLLVOKYNOGOSOM-GOEBONIOSA-N 0 3 333.432 1.841 40 0 EDABHN NCC(=O)N(C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392991 217218669 /nfs/dbraw/zinc/21/86/69/217218669.db2.gz OACLNGNZPIKWSX-INIZCTEOSA-N 0 3 331.416 1.737 40 0 EDABHN NC(=O)c1cccc(CNCC2(N3CCOCC3)CCCCC2)c1 ZINC000237759601 139059872 /nfs/dbraw/zinc/05/98/72/139059872.db2.gz ASDTXSKRGFGQFQ-UHFFFAOYSA-N 0 3 331.460 1.910 40 0 EDABHN CN(CC(N)=O)C[C@@H]1CN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000276270852 273157164 /nfs/dbraw/zinc/15/71/64/273157164.db2.gz QULCQCPWLNULGV-QWFCFKBJSA-N 0 3 345.487 1.615 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2nnn(C)c21 ZINC000096045449 289170676 /nfs/dbraw/zinc/17/06/76/289170676.db2.gz XPSHLFLOAABODT-ZDUSSCGKSA-N 0 3 349.460 1.194 40 0 EDABHN Cc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1C ZINC000013674395 441163382 /nfs/dbraw/zinc/16/33/82/441163382.db2.gz JWWFSPCRTRRXKH-CQSZACIVSA-N 0 3 341.477 1.136 40 0 EDABHN Cc1cncc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)c1 ZINC000107207330 441403383 /nfs/dbraw/zinc/40/33/83/441403383.db2.gz ZXEUHEJGOWYZFY-IKGGRYGDSA-N 0 3 333.432 1.340 40 0 EDABHN O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096040758 441987350 /nfs/dbraw/zinc/98/73/50/441987350.db2.gz RHCPQPFHMQARLB-NXHRZFHOSA-N 0 3 341.411 1.685 40 0 EDABHN c1cncc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)c1 ZINC000096057935 442006561 /nfs/dbraw/zinc/00/65/61/442006561.db2.gz IXMCBBOMYPTNTP-IPMKNSEASA-N 0 3 331.460 1.926 40 0 EDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccoc1)C2 ZINC000096060854 442008426 /nfs/dbraw/zinc/00/84/26/442008426.db2.gz OCQVAZOUZBNKOD-OAHLLOKOSA-N 0 3 333.436 1.569 40 0 EDABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000096224441 442092736 /nfs/dbraw/zinc/09/27/36/442092736.db2.gz ROBXFCUIRVQIGA-LJQANCHMSA-N 0 3 339.443 1.830 40 0 EDABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158233 442047772 /nfs/dbraw/zinc/04/77/72/442047772.db2.gz ZWHQRVWQUIRWGC-IEBWSBKVSA-N 0 3 329.444 1.728 40 0 EDABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4nccn4C)CCN3C2)n1 ZINC000096183437 442055930 /nfs/dbraw/zinc/05/59/30/442055930.db2.gz NXZCPQWBRSVHOH-ZWKOTPCHSA-N 0 3 341.459 1.599 40 0 EDABHN c1cnc(NC[C@H]2OC[C@H]3CN(Cc4cccnc4)CC[C@H]32)nc1 ZINC000096187339 442064731 /nfs/dbraw/zinc/06/47/31/442064731.db2.gz QSOXQYPGEKZFSA-BRWVUGGUSA-N 0 3 325.416 1.821 40 0 EDABHN CN(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200911 442075043 /nfs/dbraw/zinc/07/50/43/442075043.db2.gz UEDXVLRVJYMKEI-MSOLQXFVSA-N 0 3 344.434 1.876 40 0 EDABHN CN1CC2(C[C@@H]1COCC1CC1)CCN(S(=O)(=O)C1CC1)CC2 ZINC000096209249 442084696 /nfs/dbraw/zinc/08/46/96/442084696.db2.gz IMZVFKNPQSNGND-OAHLLOKOSA-N 0 3 342.505 1.692 40 0 EDABHN O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccco1)C2 ZINC000096218370 442089226 /nfs/dbraw/zinc/08/92/26/442089226.db2.gz ANJAFBVAOFCZPX-KBXCAEBGSA-N 0 3 327.384 1.692 40 0 EDABHN COCCN1C(C)=N[C@@]2(CC[C@@H]3CN(Cc4cccnc4)C[C@@H]32)C1=O ZINC000096261501 442108500 /nfs/dbraw/zinc/10/85/00/442108500.db2.gz ZRJRCEBDQSXRRK-ZIFCJYIRSA-N 0 3 342.443 1.569 40 0 EDABHN NC(=O)c1cnn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000257309610 443141657 /nfs/dbraw/zinc/14/16/57/443141657.db2.gz UBPSJUUTCKLROW-UHFFFAOYSA-N 0 3 336.399 1.603 40 0 EDABHN CNCC(=O)N1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C ZINC000257323004 443146942 /nfs/dbraw/zinc/14/69/42/443146942.db2.gz WIJIASYIUMCFPH-SFHVURJKSA-N 0 3 332.448 1.073 40 0 EDABHN OC1(c2csc(CN3CCOCC3)n2)CCN(CC2CC2)CC1 ZINC000225468266 443105561 /nfs/dbraw/zinc/10/55/61/443105561.db2.gz JITOTFIIOSQNJS-UHFFFAOYSA-N 0 3 337.489 1.669 40 0 biogenic,in-vitro EDABHN CC(=O)N1CCC(O)(CN2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257201363 443124966 /nfs/dbraw/zinc/12/49/66/443124966.db2.gz AHIUNKWJCITDAS-QGZVFWFLSA-N 0 3 346.475 1.658 40 0 EDABHN CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257343159 443155511 /nfs/dbraw/zinc/15/55/11/443155511.db2.gz ZRSOZOXIBLSBOT-NCOADZHNSA-N 0 3 333.432 1.351 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC ZINC000242554627 443211098 /nfs/dbraw/zinc/21/10/98/443211098.db2.gz MPSWWIWTYUUGEJ-GZBFAFLISA-N 0 3 329.393 1.234 40 0 EDABHN CCN1CC[C@H](NCC2CC2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306132894 444286035 /nfs/dbraw/zinc/28/60/35/444286035.db2.gz LVJIJMMMLVLWAP-WMZOPIPTSA-N 0 3 334.464 1.122 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306135104 444286492 /nfs/dbraw/zinc/28/64/92/444286492.db2.gz OHZIIQMCPVAGPQ-OLZOCXBDSA-N 0 3 329.404 1.314 40 0 EDABHN C[C@]1(NCCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 ZINC000575423153 447858287 /nfs/dbraw/zinc/85/82/87/447858287.db2.gz YMPJFDURSBYXJW-AWEZNQCLSA-N 0 3 327.475 1.140 40 0 EDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289249 448160373 /nfs/dbraw/zinc/16/03/73/448160373.db2.gz KEDLPAINEUOVJI-RTBURBONSA-N 0 3 329.488 1.648 40 0 biogenic,in-vitro EDABHN CS(=O)(=O)NCC[C@@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000585095104 448677192 /nfs/dbraw/zinc/67/71/92/448677192.db2.gz FSRHOJFLCUIWKZ-CQSZACIVSA-N 0 3 341.477 1.038 40 0 EDABHN CN(Cc1cccc(OC2CCCC2)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291146 448735548 /nfs/dbraw/zinc/73/55/48/448735548.db2.gz LFLZKZJTNBIMPF-LZQZEXGQSA-N 0 3 335.444 1.808 40 0 EDABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1=O ZINC000096073955 282101502 /nfs/dbraw/zinc/10/15/02/282101502.db2.gz DRZLPELBPRABQT-GOSISDBHSA-N 0 3 332.448 1.041 40 0 EDABHN Cc1cccnc1Nc1cc([C@@H]2CCCN2C(=O)CN)nc(C)n1 ZINC000072360889 216167498 /nfs/dbraw/zinc/16/74/98/216167498.db2.gz UKGMNUZOMPDRBD-AWEZNQCLSA-N 0 3 326.404 1.854 40 0 EDABHN CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360919 216167553 /nfs/dbraw/zinc/16/75/53/216167553.db2.gz QYAACCMBILSHHZ-CQSZACIVSA-N 0 3 326.404 1.807 40 0 EDABHN O=C(c1cccnc1)N1CCNC[C@@H](COCc2ccccc2)C1 ZINC000072354470 216163034 /nfs/dbraw/zinc/16/30/34/216163034.db2.gz SLDABXLLPPVKDW-QGZVFWFLSA-N 0 3 325.412 1.960 40 0 EDABHN O=C(c1nccc2ccccc21)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373970 216176803 /nfs/dbraw/zinc/17/68/03/216176803.db2.gz APXGQQXQUQPBSJ-HNNXBMFYSA-N 0 3 348.410 1.907 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493605 241325832 /nfs/dbraw/zinc/32/58/32/241325832.db2.gz IFRYPRVOFPOTPI-OFQRWUPVSA-N 0 3 325.430 1.268 40 0 EDABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218096218 241298479 /nfs/dbraw/zinc/29/84/79/241298479.db2.gz ZOWPSFGVHIFVRO-YESZJQIVSA-N 0 3 332.425 1.291 40 0 EDABHN CCN(C[C@@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412424 217221383 /nfs/dbraw/zinc/22/13/83/217221383.db2.gz FDNKMRDHGLKBTP-INIZCTEOSA-N 0 3 333.432 1.985 40 0 EDABHN NCC(=O)N(C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392996 217218216 /nfs/dbraw/zinc/21/82/16/217218216.db2.gz RPDBNWYRIOGGDA-UHFFFAOYSA-N 0 3 331.416 1.737 40 0 EDABHN Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCCN3)nc2n(C)c1=O ZINC000072354419 274885854 /nfs/dbraw/zinc/88/58/54/274885854.db2.gz ULFFTEDOELGQDV-VIFPVBQESA-N 0 3 342.321 1.466 40 0 EDABHN NC(=[NH2+])N=C1NC([O-])=C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 ZINC000008559549 441095701 /nfs/dbraw/zinc/09/57/01/441095701.db2.gz ZYSKBLKSXXLVTD-MRVPVSSYSA-N 0 3 343.771 1.289 40 0 EDABHN CN(C)C(=O)CN1CCCC[C@H]1C1CCN(c2ncccn2)CC1 ZINC000072368939 441231532 /nfs/dbraw/zinc/23/15/32/441231532.db2.gz OYYGXWNOECCNSB-INIZCTEOSA-N 0 3 331.464 1.636 40 0 EDABHN Cc1nccn1CC1(O)CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000019287935 441255011 /nfs/dbraw/zinc/25/50/11/441255011.db2.gz CIKFPAWFCMJKNL-KRWDZBQOSA-N 0 3 333.407 1.891 40 0 EDABHN c1coc(CN2CCC[C@]3(C2)COCCN(Cc2cn[nH]n2)C3)c1 ZINC000096049493 441997550 /nfs/dbraw/zinc/99/75/50/441997550.db2.gz OQHBSEDUPYUPQC-QGZVFWFLSA-N 0 3 331.420 1.512 40 0 EDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccccc3F)C[C@H]21)N1CCCO1 ZINC000096038654 441985740 /nfs/dbraw/zinc/98/57/40/441985740.db2.gz ZSESSQGACVVVLJ-BZUAXINKSA-N 0 3 334.391 1.684 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)N1CCCC1)C2 ZINC000096039574 441985755 /nfs/dbraw/zinc/98/57/55/441985755.db2.gz SUNSPRBBPFXWNN-AEFFLSMTSA-N 0 3 339.480 1.652 40 0 EDABHN O=C([C@H]1CCCO1)N1CC[C@@]2(c3ccccc3)CN(CCO)C[C@@H]2C1 ZINC000096083364 442024595 /nfs/dbraw/zinc/02/45/95/442024595.db2.gz HVFBFULGUBJFTC-GGPKGHCWSA-N 0 3 344.455 1.260 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1ccoc1)CC2 ZINC000096105945 442029092 /nfs/dbraw/zinc/02/90/92/442029092.db2.gz CYQCOPUUQLGDHQ-MRXNPFEDSA-N 0 3 336.432 1.756 40 0 EDABHN c1ccc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)nc1 ZINC000096108772 442033702 /nfs/dbraw/zinc/03/37/02/442033702.db2.gz FUFINLRHBJXDRK-IEBWSBKVSA-N 0 3 332.444 1.973 40 0 EDABHN Cc1ccc(CN2CC[C@H]3[C@@H](CC(=O)N4CCCO4)OC[C@H]3C2)o1 ZINC000096218389 442089730 /nfs/dbraw/zinc/08/97/30/442089730.db2.gz JHWVGJPNAMMIPU-DJIMGWMZSA-N 0 3 334.416 1.979 40 0 EDABHN O=C(NCc1cccnc1)C1=NO[C@]2(CCN(C3CCOCC3)C2)C1 ZINC000096225816 442094012 /nfs/dbraw/zinc/09/40/12/442094012.db2.gz PDIOKNOKMNCASY-GOSISDBHSA-N 0 3 344.415 1.098 40 0 EDABHN Cn1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cn1 ZINC000096183460 442055479 /nfs/dbraw/zinc/05/54/79/442055479.db2.gz HLUPZDJDYLRTBR-ZWKOTPCHSA-N 0 3 327.432 1.290 40 0 EDABHN Cn1ccnc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000096183531 442057346 /nfs/dbraw/zinc/05/73/46/442057346.db2.gz PBQSYVYNGVOIAJ-DOTOQJQBSA-N 0 3 330.407 1.897 40 0 EDABHN COCCN1CC2(CCN(Cc3ccncc3)CC2)[C@H](COC)C1=O ZINC000096207495 442081638 /nfs/dbraw/zinc/08/16/38/442081638.db2.gz IOTDQPXCQANSFZ-QGZVFWFLSA-N 0 3 347.459 1.415 40 0 EDABHN COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096209828 442085583 /nfs/dbraw/zinc/08/55/83/442085583.db2.gz OVMRYTHLGHXUIO-DOTOQJQBSA-N 0 3 338.473 1.584 40 0 EDABHN CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096216693 442087598 /nfs/dbraw/zinc/08/75/98/442087598.db2.gz MSBPUCNOHHOUPR-HNNXBMFYSA-N 0 3 335.452 1.062 40 0 EDABHN COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096217637 442088520 /nfs/dbraw/zinc/08/85/20/442088520.db2.gz LNBDEBWIJHXECI-XJKSGUPXSA-N 0 3 342.436 1.415 40 0 EDABHN COc1ccc(CN2CCC3(CC2)C(=O)NCCN3CC2CC2)cc1 ZINC000096230191 442097278 /nfs/dbraw/zinc/09/72/78/442097278.db2.gz GSDUKRFLHISAJE-UHFFFAOYSA-N 0 3 343.471 1.872 40 0 EDABHN Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)c(C)o1 ZINC000096248721 442101386 /nfs/dbraw/zinc/10/13/86/442101386.db2.gz DGIPWODFCDALNT-MSOLQXFVSA-N 0 3 347.459 1.517 40 0 EDABHN Cc1cc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@H]3CC2)c(C)o1 ZINC000096249254 442102263 /nfs/dbraw/zinc/10/22/63/442102263.db2.gz QEWJOMDRUNQROY-ZWKOTPCHSA-N 0 3 349.475 1.763 40 0 EDABHN O=C1CCCN1C[C@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000248003599 442876906 /nfs/dbraw/zinc/87/69/06/442876906.db2.gz RRMXGXWTBCVCSY-INIZCTEOSA-N 0 3 332.448 1.364 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(CN)CN)cc1 ZINC000218450342 443058727 /nfs/dbraw/zinc/05/87/27/443058727.db2.gz UEQTWIRZQVPUCK-IAGOWNOFSA-N 0 3 348.443 1.978 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 ZINC000257217644 443124464 /nfs/dbraw/zinc/12/44/64/443124464.db2.gz CZXMCTIXBCSFRM-INIZCTEOSA-N 0 3 329.404 1.549 40 0 EDABHN c1ccc(CN2C[C@@H]3COCCN3C3(CN(C4CCC4)C3)C2)cc1 ZINC000604381012 449219760 /nfs/dbraw/zinc/21/97/60/449219760.db2.gz BHXRSBGBHJUEQO-LJQANCHMSA-N 0 3 327.472 1.810 40 0 biogenic,in-vitro EDABHN COc1ccc(F)cc1C(=O)NCc1c[nH]c([C@@H]2CCN(C)C2)n1 ZINC000257216471 536616880 /nfs/dbraw/zinc/61/68/80/536616880.db2.gz CUPZNCBJKYQYDG-LLVKDONJSA-N 0 3 332.379 1.907 40 0 EDABHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019706371 202017088 /nfs/dbraw/zinc/01/70/88/202017088.db2.gz YCFIVRHRCQUIOP-OAHLLOKOSA-N 0 3 343.406 1.469 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccncn3)CCO2)n1 ZINC000257260664 244347398 /nfs/dbraw/zinc/34/73/98/244347398.db2.gz LDUYNUMOMAGZOW-MRXNPFEDSA-N 0 3 327.388 1.460 40 0 EDABHN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257260528 244347780 /nfs/dbraw/zinc/34/77/80/244347780.db2.gz LDGNKIYPWZDHFM-MRXNPFEDSA-N 0 3 343.431 1.854 40 0 EDABHN Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)o1 ZINC000096060665 203815011 /nfs/dbraw/zinc/81/50/11/203815011.db2.gz QYZOYNUXRLBMRS-CQSZACIVSA-N 0 3 333.436 1.394 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 ZINC000218630700 292186078 /nfs/dbraw/zinc/18/60/78/292186078.db2.gz QPHVQXMJYZQXFE-BBWFWOEESA-N 0 3 334.416 1.730 40 0 EDABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012326604 441130114 /nfs/dbraw/zinc/13/01/14/441130114.db2.gz BFMKTSQOTRVQLR-KRWDZBQOSA-N 0 3 338.473 1.918 40 0 EDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCCO1 ZINC000097953541 441147836 /nfs/dbraw/zinc/14/78/36/441147836.db2.gz ZHGIOPKMQVFNBT-OAGGEKHMSA-N 0 3 336.457 1.997 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000072335605 441229724 /nfs/dbraw/zinc/22/97/24/441229724.db2.gz NQHQXPDNBXGVBL-KBPBESRZSA-N 0 3 332.448 1.543 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000072335605 441229727 /nfs/dbraw/zinc/22/97/27/441229727.db2.gz NQHQXPDNBXGVBL-KBPBESRZSA-N 0 3 332.448 1.543 40 0 EDABHN C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C[C@@H]1CCOC1)C2 ZINC000072335605 441229733 /nfs/dbraw/zinc/22/97/33/441229733.db2.gz NQHQXPDNBXGVBL-KBPBESRZSA-N 0 3 332.448 1.543 40 0 EDABHN c1cnn(CCN2CCN(C[C@H]3CCOC3)Cc3cccnc32)c1 ZINC000107215003 441404098 /nfs/dbraw/zinc/40/40/98/441404098.db2.gz QHQPOGNJVPMDRR-MRXNPFEDSA-N 0 3 327.432 1.637 40 0 EDABHN CN1C[C@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@](C)(C1)C2O ZINC000032124077 441546821 /nfs/dbraw/zinc/54/68/21/441546821.db2.gz ZWXXWQXGNIKCTR-YQQQUEKLSA-N 0 3 327.428 1.943 40 0 EDABHN CNC(=O)[C@H]1CO[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1 ZINC000096042654 441991765 /nfs/dbraw/zinc/99/17/65/441991765.db2.gz NYKXMGSXIIOZNB-KURKYZTESA-N 0 3 332.444 1.676 40 0 EDABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2cccs2)C3)cn1 ZINC000096061007 442008498 /nfs/dbraw/zinc/00/84/98/442008498.db2.gz KWVXCEJAQKRTMG-GFCCVEGCSA-N 0 3 330.417 1.429 40 0 EDABHN COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CCN([C@H]3CCOC3)CC[C@H]12 ZINC000096065571 442013759 /nfs/dbraw/zinc/01/37/59/442013759.db2.gz FOTXLUANFDJHNX-XMTFNYHQSA-N 0 3 336.476 1.618 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1)C2 ZINC000096065007 442012983 /nfs/dbraw/zinc/01/29/83/442012983.db2.gz UYRBHPBOXPFLGY-SJLPKXTDSA-N 0 3 336.432 1.869 40 0 EDABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)ccn1 ZINC000096108774 442033775 /nfs/dbraw/zinc/03/37/75/442033775.db2.gz NGRGADGFRDOGPA-RTBURBONSA-N 0 3 332.444 1.973 40 0 EDABHN CCC(CC)C(=O)N1CCC2(CC1)COCCN2CCN(C)C ZINC000096226195 442094253 /nfs/dbraw/zinc/09/42/53/442094253.db2.gz HUHWOSUURGPMRQ-UHFFFAOYSA-N 0 3 325.497 1.678 40 0 EDABHN CN1[C@H]2CCN(CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145706 442045005 /nfs/dbraw/zinc/04/50/05/442045005.db2.gz JKYRVNMPPICBPN-GJZGRUSLSA-N 0 3 336.457 1.943 40 0 EDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)N2CCCC2)C1 ZINC000096189004 442066577 /nfs/dbraw/zinc/06/65/77/442066577.db2.gz GZDSLOUOQHLFSX-HNNXBMFYSA-N 0 3 335.452 1.109 40 0 EDABHN COc1cc(CNC[C@H]2Cn3ccnc3CO2)cc(OC)c1OC ZINC000096296260 442110506 /nfs/dbraw/zinc/11/05/06/442110506.db2.gz ISGJHUSZWQZQJU-ZDUSSCGKSA-N 0 3 333.388 1.598 40 0 biogenic,in-vitro EDABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)CC[C@@H]3C2)o1 ZINC000096246240 442102240 /nfs/dbraw/zinc/10/22/40/442102240.db2.gz GLYBXLJQNWIVJM-HUUCEWRRSA-N 0 3 326.400 1.972 40 0 EDABHN Cc1ncc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000247930149 442873704 /nfs/dbraw/zinc/87/37/04/442873704.db2.gz CFLOKSBTWRUUSU-MJGOQNOKSA-N 0 3 344.459 1.636 40 0 EDABHN Nc1cc(CC[C@H]2CN(C(=O)CN3CCCCC3)CCO2)ccn1 ZINC000257322493 443146710 /nfs/dbraw/zinc/14/67/10/443146710.db2.gz WGEKTHSMWBEQTL-INIZCTEOSA-N 0 3 332.448 1.310 40 0 EDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000242648599 443211190 /nfs/dbraw/zinc/21/11/90/443211190.db2.gz RDDKBKLXRXKVJK-OAGGEKHMSA-N 0 3 336.844 1.936 40 0 EDABHN COc1ncccc1C(=O)N1CCOC[C@@]2(CC[C@H](CN(C)C)O2)C1 ZINC000306141015 444287714 /nfs/dbraw/zinc/28/77/14/444287714.db2.gz VIZPACBTCWMLGO-RDTXWAMCSA-N 0 3 349.431 1.042 40 0 EDABHN CC[C@H](C)Nc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1 ZINC000329041226 444455102 /nfs/dbraw/zinc/45/51/02/444455102.db2.gz SGLYPNHARYVSQA-AWEZNQCLSA-N 0 3 332.496 1.068 40 0 EDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccs2)[C@H]1O ZINC000514288680 448161042 /nfs/dbraw/zinc/16/10/42/448161042.db2.gz KICCSYAKFATIJY-SGMGOOAPSA-N 0 3 327.450 1.730 40 0 biogenic,in-vitro EDABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 ZINC000585099794 448683494 /nfs/dbraw/zinc/68/34/94/448683494.db2.gz AWJJHGOEKNGKJV-HKUYNNGSSA-N 0 3 346.475 1.946 40 0 EDABHN Cc1cc(C)cc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 ZINC000585288117 485898563 /nfs/dbraw/zinc/89/85/63/485898563.db2.gz WPBBXPCCBGIILQ-OALUTQOASA-N 0 3 335.444 1.659 40 0 EDABHN CC(=O)NCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019021241 201998344 /nfs/dbraw/zinc/99/83/44/201998344.db2.gz UJOLDSWTUNCUIQ-UHFFFAOYSA-N 0 3 345.443 1.445 40 0 EDABHN CC1CCN(CCNC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 ZINC000019496915 202009091 /nfs/dbraw/zinc/00/90/91/202009091.db2.gz JUGUHRPEVQHWMQ-UHFFFAOYSA-N 0 3 343.427 1.802 40 0 EDABHN CCN(CC)CCNCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000022034494 212272232 /nfs/dbraw/zinc/27/22/32/212272232.db2.gz PHPXFVCOUQNKCI-UHFFFAOYSA-N 0 3 336.455 1.406 40 0 EDABHN NC[C@@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218577105 241333353 /nfs/dbraw/zinc/33/33/53/241333353.db2.gz RDDKBKLXRXKVJK-HRCADAONSA-N 0 3 336.844 1.936 40 0 EDABHN CNCC(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257219886 244181434 /nfs/dbraw/zinc/18/14/34/244181434.db2.gz DIQIUFMKVKICRM-UHFFFAOYSA-N 0 3 326.404 1.541 40 0 EDABHN Cc1cncc(C(=O)NCc2nccnc2C2CCN(C)CC2)c1 ZINC000257246546 244257540 /nfs/dbraw/zinc/25/75/40/244257540.db2.gz IUQHMAFGXXUOLR-UHFFFAOYSA-N 0 3 325.416 1.919 40 0 EDABHN O=C(Cc1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257248619 244262497 /nfs/dbraw/zinc/26/24/97/244262497.db2.gz JEMAGBRZFNUXLV-OAHLLOKOSA-N 0 3 344.427 1.985 40 0 EDABHN CCCn1ccnc1CN1CCNC[C@H]1c1cccc(C(=O)NC)c1 ZINC000257286190 284132491 /nfs/dbraw/zinc/13/24/91/284132491.db2.gz PKRKPXYQDNCNAZ-KRWDZBQOSA-N 0 3 341.459 1.799 40 0 EDABHN CN(CC(N)=O)C[C@@H]1CN([C@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000276270842 273157122 /nfs/dbraw/zinc/15/71/22/273157122.db2.gz QULCQCPWLNULGV-NLWGTHIKSA-N 0 3 345.487 1.615 40 0 EDABHN CN(CCN1CCCCC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000036753055 441609548 /nfs/dbraw/zinc/60/95/48/441609548.db2.gz ABHVFGMUFSOVJB-KRWDZBQOSA-N 0 3 342.447 1.401 40 0 EDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21)N1CCCC1 ZINC000096043321 441992947 /nfs/dbraw/zinc/99/29/47/441992947.db2.gz YCSLPMSAGXACIP-FGTMMUONSA-N 0 3 329.444 1.931 40 0 EDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCC(F)CC1 ZINC000096040780 441987011 /nfs/dbraw/zinc/98/70/11/441987011.db2.gz GJWXEGPDTULGBG-OLMNPRSZSA-N 0 3 347.434 1.737 40 0 EDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1 ZINC000096041498 441987977 /nfs/dbraw/zinc/98/79/77/441987977.db2.gz GKXKYWCGPXWMIN-YQVWRLOYSA-N 0 3 348.443 1.402 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 ZINC000096064488 442013388 /nfs/dbraw/zinc/01/33/88/442013388.db2.gz BGMIKQWZYFOQPI-DJIMGWMZSA-N 0 3 334.416 1.836 40 0 EDABHN Cn1cc(CN2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cn1 ZINC000096074036 442019925 /nfs/dbraw/zinc/01/99/25/442019925.db2.gz WLGAASRNGJNHTN-SFHVURJKSA-N 0 3 325.416 1.834 40 0 EDABHN CN(C)CCOCc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)CC2 ZINC000096084899 442024790 /nfs/dbraw/zinc/02/47/90/442024790.db2.gz TYAHLJIOLWTFRK-UHFFFAOYSA-N 0 3 331.420 1.025 40 0 EDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccno1 ZINC000096108471 442033515 /nfs/dbraw/zinc/03/35/15/442033515.db2.gz AAEJGPJIMWSLHY-WBMJQRKESA-N 0 3 333.413 1.615 40 0 EDABHN O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 ZINC000096110709 442036446 /nfs/dbraw/zinc/03/64/46/442036446.db2.gz JLSSCNIAWHLPGJ-ZACQAIPSSA-N 0 3 333.432 1.223 40 0 EDABHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393249 442044472 /nfs/dbraw/zinc/04/44/72/442044472.db2.gz UGTVQOVFSHGLIE-JKSUJKDBSA-N 0 3 333.432 1.887 40 0 EDABHN NCC(=O)N(Cc1ccccc1I)C1CC1 ZINC000079420862 442045715 /nfs/dbraw/zinc/04/57/15/442045715.db2.gz CDGGNTPGDKDPHS-UHFFFAOYSA-N 0 3 330.169 1.741 40 0 EDABHN Cc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)o1 ZINC000096160161 442050407 /nfs/dbraw/zinc/05/04/07/442050407.db2.gz BIQQNBMFXMHLAR-QGZVFWFLSA-N 0 3 348.443 1.675 40 0 EDABHN Cc1oncc1C(=O)N1CC[C@@H]2O[C@@H](COCCN(C)C)CC[C@@H]21 ZINC000096186678 442062452 /nfs/dbraw/zinc/06/24/52/442062452.db2.gz AWYQIFYOCLSHON-KBMXLJTQSA-N 0 3 337.420 1.323 40 0 EDABHN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1 ZINC000096200250 442073902 /nfs/dbraw/zinc/07/39/02/442073902.db2.gz XGPGUWZNHBUPQS-ZWKOTPCHSA-N 0 3 329.448 1.766 40 0 EDABHN O=C([C@@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CCOCC1 ZINC000247791542 442868234 /nfs/dbraw/zinc/86/82/34/442868234.db2.gz OJWFSXGKBVUKID-HKUYNNGSSA-N 0 3 329.444 1.933 40 0 EDABHN Cc1ncc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000247930145 442873473 /nfs/dbraw/zinc/87/34/73/442873473.db2.gz CFLOKSBTWRUUSU-HKUYNNGSSA-N 0 3 344.459 1.636 40 0 EDABHN COCCN1CCC(Cc2nccnc2N2C[C@H](C)OC2=O)CC1 ZINC000257304792 443139197 /nfs/dbraw/zinc/13/91/97/443139197.db2.gz SNDVHKYGXSADEF-ZDUSSCGKSA-N 0 3 334.420 1.723 40 0 EDABHN CCCN1CCN(C(=O)c2cc([C@H]3CCCN(C)C3)nc(C)n2)CC1 ZINC000257284983 443130344 /nfs/dbraw/zinc/13/03/44/443130344.db2.gz PFDRLDWHTOEUAC-INIZCTEOSA-N 0 3 345.491 1.762 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306123753 444284582 /nfs/dbraw/zinc/28/45/82/444284582.db2.gz AVSCJEIGXWMWJL-HUUCEWRRSA-N 0 3 340.431 1.116 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306135105 444286561 /nfs/dbraw/zinc/28/65/61/444286561.db2.gz OHZIIQMCPVAGPQ-QWHCGFSZSA-N 0 3 329.404 1.314 40 0 EDABHN COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2CC(C)C)C1 ZINC000585102265 448686105 /nfs/dbraw/zinc/68/61/05/448686105.db2.gz VVDRERRREWDBCS-GOSISDBHSA-N 0 3 334.464 1.866 40 0 EDABHN Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)cn1 ZINC000585094896 448676817 /nfs/dbraw/zinc/67/68/17/448676817.db2.gz SPWJJDGTHUSNLE-CQSZACIVSA-N 0 3 340.431 1.181 40 0 EDABHN Cc1nc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)c[nH]1 ZINC000585097416 448681276 /nfs/dbraw/zinc/68/12/76/448681276.db2.gz LMDRULDPMSGVMU-HNNXBMFYSA-N 0 3 342.447 1.815 40 0 EDABHN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218095651 536948195 /nfs/dbraw/zinc/94/81/95/536948195.db2.gz LFYXCTKVCKRHEA-KSZLIROESA-N 0 3 347.436 1.572 40 0 EDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccnn2C(C)C)c1 ZINC000257288934 244429095 /nfs/dbraw/zinc/42/90/95/244429095.db2.gz PWHSTRIRFOTDRL-GOSISDBHSA-N 0 3 341.459 1.970 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306126104 257918221 /nfs/dbraw/zinc/91/82/21/257918221.db2.gz DNACZGGXNRWKSQ-UONOGXRCSA-N 0 3 343.406 1.471 40 0 EDABHN O=C(c1ncccn1)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000306141217 257924492 /nfs/dbraw/zinc/92/44/92/257924492.db2.gz VONRDTNPEOIZQB-OAHLLOKOSA-N 0 3 326.404 1.356 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218461965 276442741 /nfs/dbraw/zinc/44/27/41/276442741.db2.gz LMTPREMMWVSIDW-SGMGOOAPSA-N 0 3 331.821 1.359 40 0 EDABHN CN1CCC(c2nnc3n2CCN(C(=O)c2ccccc2)C3)CC1 ZINC000019711249 277035275 /nfs/dbraw/zinc/03/52/75/277035275.db2.gz MNLMEIKGIHTEIX-UHFFFAOYSA-N 0 3 325.416 1.743 40 0 EDABHN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C ZINC000002556601 440864193 /nfs/dbraw/zinc/86/41/93/440864193.db2.gz OYHZLGHNPPITIX-RYUDHWBXSA-N 0 3 330.425 1.140 40 0 EDABHN CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CCN(CCc1ccccc1)C2 ZINC000019713659 441259455 /nfs/dbraw/zinc/25/94/55/441259455.db2.gz RXGBZPDAIIUDIH-RTBURBONSA-N 0 3 329.444 1.288 40 0 EDABHN CC(=O)N[C@]12CN(C(=O)c3cc4ccccc4o3)C[C@H]1CN(C)CC2 ZINC000019713632 441259963 /nfs/dbraw/zinc/25/99/63/441259963.db2.gz GJEQRUUGUYRETC-DNVCBOLYSA-N 0 3 341.411 1.715 40 0 EDABHN COc1ccc(Cl)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000061524368 441275518 /nfs/dbraw/zinc/27/55/18/441275518.db2.gz AXKPRRDXMLSOHP-UHFFFAOYSA-N 0 3 325.840 1.716 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@@H]3C2)cn1 ZINC000096043335 441992338 /nfs/dbraw/zinc/99/23/38/441992338.db2.gz ZPRLWTIBIMDBOZ-IXDOHACOSA-N 0 3 332.448 1.316 40 0 EDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 ZINC000096063340 442010496 /nfs/dbraw/zinc/01/04/96/442010496.db2.gz UCZOLNZMKRZQIS-DOTOQJQBSA-N 0 3 338.473 1.629 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096063667 442010803 /nfs/dbraw/zinc/01/08/03/442010803.db2.gz CRSZVAJJYLLFHX-BETUJISGSA-N 0 3 332.429 1.952 40 0 EDABHN CCN(Cc1ccccc1I)C(=O)[C@H](C)N ZINC000079420909 442045150 /nfs/dbraw/zinc/04/51/50/442045150.db2.gz ZOQPZSICBPMYBA-VIFPVBQESA-N 0 3 332.185 1.987 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079413164 442045388 /nfs/dbraw/zinc/04/53/88/442045388.db2.gz KCHHJARAPDCTCJ-CVEARBPZSA-N 0 3 333.432 1.839 40 0 EDABHN O=C(Cc1cccnc1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 ZINC000096158986 442049179 /nfs/dbraw/zinc/04/91/79/442049179.db2.gz KVNXSOJDRJIOSY-KRWDZBQOSA-N 0 3 345.443 1.106 40 0 EDABHN CN(C)CCO[C@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2COC[C@H]12 ZINC000096184986 442058302 /nfs/dbraw/zinc/05/83/02/442058302.db2.gz RBXHFQGLBWBTSI-DAYGRLMNSA-N 0 3 334.416 1.193 40 0 EDABHN CN(Cc1cccnc1)C[C@H]1Cn2ccnc2CN(C(=O)C2CC2)C1 ZINC000096188697 442067232 /nfs/dbraw/zinc/06/72/32/442067232.db2.gz CBTZHGUBKNNAMS-INIZCTEOSA-N 0 3 339.443 1.779 40 0 EDABHN COCCN1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249617 442103327 /nfs/dbraw/zinc/10/33/27/442103327.db2.gz BGIKUCHIJBXTNH-HZPDHXFCSA-N 0 3 338.473 1.486 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CN)CO)cc1 ZINC000252515405 443039379 /nfs/dbraw/zinc/03/93/79/443039379.db2.gz JPTPFODCTOUOQV-KURKYZTESA-N 0 3 331.437 1.872 40 0 EDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(OC)cc1 ZINC000252515420 443039459 /nfs/dbraw/zinc/03/94/59/443039459.db2.gz JRWUAKGYPKIFDE-BZUAXINKSA-N 0 3 327.446 1.577 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(CN)CO)cc1 ZINC000252515404 443039534 /nfs/dbraw/zinc/03/95/34/443039534.db2.gz JPTPFODCTOUOQV-KSZLIROESA-N 0 3 331.437 1.872 40 0 EDABHN Cc1cn(C)c([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257295559 443135911 /nfs/dbraw/zinc/13/59/11/443135911.db2.gz QYVVQYJZYAVZOG-CQSZACIVSA-N 0 3 340.493 1.332 40 0 EDABHN CC(=O)N1CCC(N2CC[C@@H](CO)N(C)c3ncccc3C2)CC1 ZINC000225493126 443108120 /nfs/dbraw/zinc/10/81/20/443108120.db2.gz AXTGZDPNDSZLGJ-KRWDZBQOSA-N 0 3 332.448 1.095 40 0 biogenic,in-vitro EDABHN CCCCc1nc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c[nH]1 ZINC000257238855 443126041 /nfs/dbraw/zinc/12/60/41/443126041.db2.gz HMVDIWIQWLCXRS-VDZJLULYSA-N 0 3 348.491 1.946 40 0 EDABHN CCCCc1ncc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)[nH]1 ZINC000257238855 443126044 /nfs/dbraw/zinc/12/60/44/443126044.db2.gz HMVDIWIQWLCXRS-VDZJLULYSA-N 0 3 348.491 1.946 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC000257275660 443127113 /nfs/dbraw/zinc/12/71/13/443127113.db2.gz NQHQXPDNBXGVBL-ZIAGYGMSSA-N 0 3 332.448 1.956 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000257275660 443127115 /nfs/dbraw/zinc/12/71/15/443127115.db2.gz NQHQXPDNBXGVBL-ZIAGYGMSSA-N 0 3 332.448 1.956 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C[C@H]1CCOC1)C2 ZINC000257275660 443127117 /nfs/dbraw/zinc/12/71/17/443127117.db2.gz NQHQXPDNBXGVBL-ZIAGYGMSSA-N 0 3 332.448 1.956 40 0 EDABHN O=C(NC[C@H]1CC[C@@]2(COCCN(CC3CC3)C2)O1)c1ccno1 ZINC000306132568 444285974 /nfs/dbraw/zinc/28/59/74/444285974.db2.gz LMNIQHYJJBGXEL-RHSMWYFYSA-N 0 3 335.404 1.064 40 0 EDABHN CN1CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585278120 448727121 /nfs/dbraw/zinc/72/71/21/448727121.db2.gz ZUAFCXGNURXMPD-GOSISDBHSA-N 0 3 338.423 1.362 40 0 EDABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)CCF)C2)OC1 ZINC000575405934 449093112 /nfs/dbraw/zinc/09/31/12/449093112.db2.gz VDAPMIDYUPDUTQ-MRXNPFEDSA-N 0 3 335.423 1.881 40 0 EDABHN CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008297978 560108422 /nfs/dbraw/zinc/10/84/22/560108422.db2.gz QXEXZUYMERZOBX-ZNMIVQPWSA-N 0 3 333.480 1.811 40 0 biogenic,in-vitro EDABHN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022515498 202086535 /nfs/dbraw/zinc/08/65/35/202086535.db2.gz RWRAEAHOYYNVDM-QGZVFWFLSA-N 0 3 337.439 1.737 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC000257240344 244241710 /nfs/dbraw/zinc/24/17/10/244241710.db2.gz HTBXHDMMCVNJOG-AWEZNQCLSA-N 0 3 340.427 1.784 40 0 EDABHN CN(C)c1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1 ZINC000104839393 204123619 /nfs/dbraw/zinc/12/36/19/204123619.db2.gz QWIZXCYZCVSIGZ-UHFFFAOYSA-N 0 3 341.463 1.619 40 0 EDABHN COc1ccccc1CN1C[C@H](C(=O)N2CCCC2)[C@H]2OCC[C@H]21 ZINC000108531342 204266299 /nfs/dbraw/zinc/26/62/99/204266299.db2.gz UVQMAHSTXFZVAO-LZLYRXPVSA-N 0 3 330.428 1.907 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)C2(CN)CN)cc1 ZINC000218455379 292186540 /nfs/dbraw/zinc/18/65/40/292186540.db2.gz NXXLAGDSIPPKEW-IRXDYDNUSA-N 0 3 348.443 1.978 40 0 EDABHN Cc1cnc(C(=O)N2Cc3ccccc3O[C@@H](CN(C)C)C2)cn1 ZINC000012235115 281574121 /nfs/dbraw/zinc/57/41/21/281574121.db2.gz ZQMXFKUGLHIPAS-HNNXBMFYSA-N 0 3 326.400 1.750 40 0 EDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000097953378 441147307 /nfs/dbraw/zinc/14/73/07/441147307.db2.gz BSIHADTVJQLURU-SJLPKXTDSA-N 0 3 334.391 1.971 40 0 EDABHN Cc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1C ZINC000028641069 441435388 /nfs/dbraw/zinc/43/53/88/441435388.db2.gz OUXIYNIACYHAQE-UHFFFAOYSA-N 0 3 329.444 1.957 40 0 EDABHN Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096043286 441991041 /nfs/dbraw/zinc/99/10/41/441991041.db2.gz OGDWLSIKFURXJF-QGTPRVQTSA-N 0 3 345.443 1.987 40 0 EDABHN Cc1ccc(CN2CCC3(C[C@@H](OCC(=O)N(C)C)CO3)CC2)o1 ZINC000096047825 441995416 /nfs/dbraw/zinc/99/54/16/441995416.db2.gz WDFHIEAKECUVFR-MRXNPFEDSA-N 0 3 336.432 1.816 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(Cc1ccncc1)CCC2 ZINC000096058830 442006461 /nfs/dbraw/zinc/00/64/61/442006461.db2.gz HXMMJXYNXKUPKW-UHFFFAOYSA-N 0 3 330.436 1.157 40 0 EDABHN Cn1cc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)cn1 ZINC000096057923 442006511 /nfs/dbraw/zinc/00/65/11/442006511.db2.gz LZNNCFANPYMJPK-RCCFBDPRSA-N 0 3 334.464 1.264 40 0 EDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(C)o1)C2 ZINC000096060862 442007991 /nfs/dbraw/zinc/00/79/91/442007991.db2.gz RADPTLDTQRLIHV-OAHLLOKOSA-N 0 3 347.463 1.877 40 0 EDABHN CCc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)o1 ZINC000096064464 442012766 /nfs/dbraw/zinc/01/27/66/442012766.db2.gz SEHLQGNIXYNZPA-ZTFGCOKTSA-N 0 3 348.443 1.395 40 0 EDABHN CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392915 442044334 /nfs/dbraw/zinc/04/43/34/442044334.db2.gz HQQBSBJDMPDQRP-MRXNPFEDSA-N 0 3 333.432 1.985 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C ZINC000079420020 442046103 /nfs/dbraw/zinc/04/61/03/442046103.db2.gz YAJYAQFQXGKZGN-HOCLYGCPSA-N 0 3 333.432 1.839 40 0 EDABHN Cc1ccoc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC000096185620 442059780 /nfs/dbraw/zinc/05/97/80/442059780.db2.gz ITPFLNDNKNNIEU-ILXRZTDVSA-N 0 3 329.404 1.415 40 0 EDABHN CN(C)C(=O)COCc1cncc2c1CCN(C1CCOCC1)C2 ZINC000096189393 442068148 /nfs/dbraw/zinc/06/81/48/442068148.db2.gz NEGUKHQVQXPTGM-UHFFFAOYSA-N 0 3 333.432 1.224 40 0 EDABHN O=C(c1ccoc1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096197567 442072397 /nfs/dbraw/zinc/07/23/97/442072397.db2.gz HMIGZIHZYMEFDY-UHFFFAOYSA-N 0 3 342.399 1.478 40 0 EDABHN Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1F ZINC000096201965 442078112 /nfs/dbraw/zinc/07/81/12/442078112.db2.gz KWLFDKIKRZSFLK-INIZCTEOSA-N 0 3 342.436 1.477 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000257318903 443145399 /nfs/dbraw/zinc/14/53/99/443145399.db2.gz VPWXRQKYHVNZJN-ZDUSSCGKSA-N 0 3 333.461 1.248 40 0 EDABHN c1cc2n(n1)C[C@H](CNc1ncccn1)CN(C1CCOCC1)C2 ZINC000306127751 444285826 /nfs/dbraw/zinc/28/58/26/444285826.db2.gz GGHUXYANSWWHJI-CQSZACIVSA-N 0 3 328.420 1.396 40 0 EDABHN Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCC2)n1 ZINC000585094817 448676865 /nfs/dbraw/zinc/67/68/65/448676865.db2.gz NURBIRGWDZCJJM-HNNXBMFYSA-N 0 3 339.443 1.786 40 0 EDABHN C[C@@H](c1cc(=O)[n-]c(N(C)CC[NH+](C)C)n1)n1cnc2ccccc21 ZINC000019458298 202008350 /nfs/dbraw/zinc/00/83/50/202008350.db2.gz TZFFEMQMVYNUAM-ZDUSSCGKSA-N 0 3 340.431 1.727 40 0 EDABHN Nc1nc2c(c(N)n1)C[C@]1(CCCN(Cc3cccc(O)c3)CC1)O2 ZINC000257211059 244151152 /nfs/dbraw/zinc/15/11/52/244151152.db2.gz BXIXYDPKHHAVCR-GOSISDBHSA-N 0 3 341.415 1.706 40 0 EDABHN CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1cccc(F)c1 ZINC000257224577 244194118 /nfs/dbraw/zinc/19/41/18/244194118.db2.gz FCJKVHNVMZTUKW-BZUAXINKSA-N 0 3 342.436 1.434 40 0 EDABHN Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cc1 ZINC000257262336 244349840 /nfs/dbraw/zinc/34/98/40/244349840.db2.gz LKZKFZJXVSGIQO-ROUUACIJSA-N 0 3 331.460 1.208 40 0 EDABHN O=C(c1cccc(=O)[nH]1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257274899 244389856 /nfs/dbraw/zinc/38/98/56/244389856.db2.gz NNCVCHNZLXARAC-OAHLLOKOSA-N 0 3 341.358 1.095 40 0 EDABHN Cc1cccc(CN2CC3(CCN([C@H]4CCOC4)CC3)OCC2=O)n1 ZINC000096201462 203863688 /nfs/dbraw/zinc/86/36/88/203863688.db2.gz IRVGPVZRPXRZKZ-KRWDZBQOSA-N 0 3 345.443 1.372 40 0 EDABHN CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3cccs3)CC2)C1 ZINC000108527108 204265500 /nfs/dbraw/zinc/26/55/00/204265500.db2.gz RTJKXBQTJRZNLT-CYBMUJFWSA-N 0 3 344.502 1.811 40 0 EDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 ZINC000242750503 257683791 /nfs/dbraw/zinc/68/37/91/257683791.db2.gz ZOWPSFGVHIFVRO-ZACQAIPSSA-N 0 3 332.425 1.291 40 0 EDABHN COc1ccc([C@@H]2CN(C3CCN(C)CC3)CCN2C(C)=O)cc1 ZINC000257203427 286363548 /nfs/dbraw/zinc/36/35/48/286363548.db2.gz APZZUTVGGPJTEL-IBGZPJMESA-N 0 3 331.460 1.995 40 0 EDABHN O=C([C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1)N1CCCCO1 ZINC000096066252 304388990 /nfs/dbraw/zinc/38/89/90/304388990.db2.gz FHAHZVHLBANZMY-YESZJQIVSA-N 0 3 337.464 1.116 40 0 EDABHN CN(C)c1nc2c(c(N3CCN(c4ccccc4)CC3)n1)CNCC2 ZINC000035287384 273823900 /nfs/dbraw/zinc/82/39/00/273823900.db2.gz IKANKFHSUQHZDG-UHFFFAOYSA-N 0 3 338.459 1.515 40 0 EDABHN CN1CCC2(CC1)CN(C(=O)N1CCOCC1)Cc1ccccc12 ZINC000096242405 273872016 /nfs/dbraw/zinc/87/20/16/273872016.db2.gz QKMVHCKJVDPYPO-UHFFFAOYSA-N 0 3 329.444 1.918 40 0 EDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21)N1CCCC1 ZINC000096043435 441993008 /nfs/dbraw/zinc/99/30/08/441993008.db2.gz TVMFDEGMCFNBHA-KZNAEPCWSA-N 0 3 329.444 1.931 40 0 EDABHN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(CC1CC1)C2 ZINC000096050168 441998248 /nfs/dbraw/zinc/99/82/48/441998248.db2.gz AYWSDUBVSUWNJI-LJQANCHMSA-N 0 3 327.428 1.736 40 0 EDABHN O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096040753 441986372 /nfs/dbraw/zinc/98/63/72/441986372.db2.gz CZFIHSQTLJBMFV-OIISXLGYSA-N 0 3 330.384 1.883 40 0 EDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21)c1ccno1 ZINC000096056285 442003066 /nfs/dbraw/zinc/00/30/66/442003066.db2.gz DGJUGKKWLKMVSP-OFQRWUPVSA-N 0 3 331.372 1.535 40 0 EDABHN Cn1cc(-c2nnn3c2CO[C@@H](CNCc2ccc(F)cc2)C3)cn1 ZINC000096061016 442008291 /nfs/dbraw/zinc/00/82/91/442008291.db2.gz HMZVDAUICOXTKO-HNNXBMFYSA-N 0 3 342.378 1.506 40 0 EDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC000096108708 442033203 /nfs/dbraw/zinc/03/32/03/442033203.db2.gz UGPDPQQYZNIJAH-CJNGLKHVSA-N 0 3 339.461 1.005 40 0 EDABHN COCCN1CCC2(CC1)COCCN2Cc1csc(C)n1 ZINC000096226196 442094141 /nfs/dbraw/zinc/09/41/41/442094141.db2.gz ZXTMQAYMKNGVMU-UHFFFAOYSA-N 0 3 325.478 1.765 40 0 EDABHN C(CN1CCCC1)OCc1nnn2c1CN(C[C@H]1CCOC1)CCC2 ZINC000096258991 442107558 /nfs/dbraw/zinc/10/75/58/442107558.db2.gz WMBDJHMZAZCBOY-MRXNPFEDSA-N 0 3 349.479 1.133 40 0 EDABHN CC(C)N1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000248070925 442880853 /nfs/dbraw/zinc/88/08/53/442880853.db2.gz AWPUDCWVABNVPE-MAUKXSAKSA-N 0 3 349.479 1.613 40 0 EDABHN Cn1cc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)cn1 ZINC000248125681 442882970 /nfs/dbraw/zinc/88/29/70/442882970.db2.gz LOAYWYWCYOYIPC-YQQAZPJKSA-N 0 3 344.415 1.280 40 0 EDABHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@]12CCN(c1cccnc1)C2=O ZINC000248117608 442882998 /nfs/dbraw/zinc/88/29/98/442882998.db2.gz IZIVTRPIDSUWKJ-RDTXWAMCSA-N 0 3 325.416 1.690 40 0 EDABHN CN(C)[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1O ZINC000257231492 443125368 /nfs/dbraw/zinc/12/53/68/443125368.db2.gz GGYMYAMKQPKHRZ-ROUUACIJSA-N 0 3 330.432 1.069 40 0 EDABHN CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306142113 444287759 /nfs/dbraw/zinc/28/77/59/444287759.db2.gz WPTSCTZRZCPUTK-QGPMSJSTSA-N 0 3 342.443 1.886 40 0 EDABHN CN1C[C@@H](COCc2ccccn2)CC12CN(c1ncccn1)C2 ZINC000585093742 448675649 /nfs/dbraw/zinc/67/56/49/448675649.db2.gz BUBJSZBGDLOJBE-HNNXBMFYSA-N 0 3 325.416 1.599 40 0 EDABHN CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581867 202013956 /nfs/dbraw/zinc/01/39/56/202013956.db2.gz IQHUNDHZBMQYAA-RDJZCZTQSA-N 0 3 344.459 1.373 40 0 EDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218203967 241306608 /nfs/dbraw/zinc/30/66/08/241306608.db2.gz GISYQPJWARCQMP-YNEHKIRRSA-N 0 3 348.262 1.287 40 0 EDABHN CNCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccc(C)cn2)n1 ZINC000072383014 203210105 /nfs/dbraw/zinc/21/01/05/203210105.db2.gz LZMHAGTUKHOSEA-AWEZNQCLSA-N 0 3 326.404 1.807 40 0 EDABHN Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cn1 ZINC000072327140 203200736 /nfs/dbraw/zinc/20/07/36/203200736.db2.gz UWALTBMGVXMBCM-UHFFFAOYSA-N 0 3 336.443 1.900 40 0 EDABHN Nc1nccc([C@H]2CCCN(C(=O)[C@H](N)Cc3ccc(F)cc3)C2)n1 ZINC000072355912 203204263 /nfs/dbraw/zinc/20/42/63/203204263.db2.gz IRERDQVPLDZDCY-DZGCQCFKSA-N 0 3 343.406 1.474 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 ZINC000257252634 244272617 /nfs/dbraw/zinc/27/26/17/244272617.db2.gz JVMZEVUCKCWDIC-INIZCTEOSA-N 0 3 329.404 1.238 40 0 EDABHN Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)nc(N)n1 ZINC000257257675 244286679 /nfs/dbraw/zinc/28/66/79/244286679.db2.gz KQRHOJKGNRXTIU-WLLUSJSYSA-N 0 3 329.448 1.845 40 0 EDABHN Cc1ccn(CCC(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257262284 244350720 /nfs/dbraw/zinc/35/07/20/244350720.db2.gz LKVMPNZVSIJCSR-INIZCTEOSA-N 0 3 329.404 1.467 40 0 EDABHN Cn1cc(CN2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)cn1 ZINC000096157504 203845510 /nfs/dbraw/zinc/84/55/10/203845510.db2.gz DULPDWMTMDHKGK-UHFFFAOYSA-N 0 3 340.431 1.338 40 0 EDABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)CC1 ZINC000015674628 211841978 /nfs/dbraw/zinc/84/19/78/211841978.db2.gz FUPUOGWPQJMBTN-SJORKVTESA-N 0 3 342.443 1.862 40 0 biogenic,in-vitro EDABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218361176 292279819 /nfs/dbraw/zinc/27/98/19/292279819.db2.gz ALTLFUHJDWQDSJ-DLBZAZTESA-N 0 3 330.453 1.839 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065018 289170919 /nfs/dbraw/zinc/17/09/19/289170919.db2.gz DPBVLBJZRJBCRS-AEFFLSMTSA-N 0 3 348.447 1.066 40 0 EDABHN NCC1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000218449154 295222795 /nfs/dbraw/zinc/22/27/95/295222795.db2.gz RHVLHVIVOKPUKP-HZPDHXFCSA-N 0 3 334.416 1.669 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039547 441985446 /nfs/dbraw/zinc/98/54/46/441985446.db2.gz VUDCCYSVOXEDQX-PKOBYXMFSA-N 0 3 347.459 1.671 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)o1 ZINC000096040843 441987478 /nfs/dbraw/zinc/98/74/78/441987478.db2.gz CLIAOQYVFIVZOA-NUJGCVRESA-N 0 3 348.443 1.531 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000096057311 442005582 /nfs/dbraw/zinc/00/55/82/442005582.db2.gz GVPGDFPYPRFTDQ-ZACQAIPSSA-N 0 3 331.416 1.330 40 0 EDABHN Cc1ccc(CNC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)s1 ZINC000096061014 442008801 /nfs/dbraw/zinc/00/88/01/442008801.db2.gz BQEGBZOSFDPWIR-CYBMUJFWSA-N 0 3 344.444 1.737 40 0 EDABHN Cn1cc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cn1 ZINC000096106682 442031028 /nfs/dbraw/zinc/03/10/28/442031028.db2.gz HUYSCPBDJXRIMC-SFHVURJKSA-N 0 3 349.475 1.987 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000079428173 442047391 /nfs/dbraw/zinc/04/73/91/442047391.db2.gz CUCHXCUJNJXXAM-CVEARBPZSA-N 0 3 333.432 1.887 40 0 EDABHN O=C([C@H]1CCOC1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157574 442048594 /nfs/dbraw/zinc/04/85/94/442048594.db2.gz YJUDTJSGYGBTER-INIZCTEOSA-N 0 3 329.444 1.933 40 0 EDABHN CN(C)C[C@H]1OC[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@H]12 ZINC000096185252 442059364 /nfs/dbraw/zinc/05/93/64/442059364.db2.gz JAVKLXWTJPRCGF-YESZJQIVSA-N 0 3 338.473 1.415 40 0 EDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@H]3C)o1 ZINC000096201528 442076441 /nfs/dbraw/zinc/07/64/41/442076441.db2.gz OMERJBIKIJOLHP-INIZCTEOSA-N 0 3 349.475 1.732 40 0 EDABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1cccc(F)c1)C2 ZINC000096201992 442078352 /nfs/dbraw/zinc/07/83/52/442078352.db2.gz QNJBMURQSTVCLS-SFHVURJKSA-N 0 3 336.407 1.637 40 0 EDABHN COCC(=O)N1CCOC[C@]2(CN(Cc3cccs3)C[C@H]2C)C1 ZINC000096202401 442078859 /nfs/dbraw/zinc/07/88/59/442078859.db2.gz QMTJOQLVNUQXQY-PBHICJAKSA-N 0 3 338.473 1.691 40 0 EDABHN O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CCN1CCCC1 ZINC000096228139 442096024 /nfs/dbraw/zinc/09/60/24/442096024.db2.gz IAUNZUBZRNHVSA-UHFFFAOYSA-N 0 3 347.438 1.673 40 0 EDABHN Cn1cc(N2C[C@@]3(CCN(Cc4cccs4)C3)N(C)CC2=O)cn1 ZINC000096230531 442097057 /nfs/dbraw/zinc/09/70/57/442097057.db2.gz FLYNVBZWLAKHLI-KRWDZBQOSA-N 0 3 345.472 1.405 40 0 EDABHN Cc1cncc(C(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)c1 ZINC000248037495 442878581 /nfs/dbraw/zinc/87/85/81/442878581.db2.gz VANMMGLKMMSREL-FUHWJXTLSA-N 0 3 333.432 1.342 40 0 EDABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218361109 443057792 /nfs/dbraw/zinc/05/77/92/443057792.db2.gz ALTLFUHJDWQDSJ-IAGOWNOFSA-N 0 3 330.453 1.839 40 0 EDABHN O=C1CCCN1CC[C@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000253616742 443075212 /nfs/dbraw/zinc/07/52/12/443075212.db2.gz KYGGKHDIYNPCPL-OAHLLOKOSA-N 0 3 332.448 1.506 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 ZINC000257303465 443138562 /nfs/dbraw/zinc/13/85/62/443138562.db2.gz SHIWNBQZSXSLHE-GOSISDBHSA-N 0 3 346.406 1.268 40 0 EDABHN CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257233764 443125295 /nfs/dbraw/zinc/12/52/95/443125295.db2.gz GQQBVDNTSGLYGC-CYBMUJFWSA-N 0 3 327.392 1.202 40 0 EDABHN Cc1nc(C(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cs1 ZINC000306136665 444286734 /nfs/dbraw/zinc/28/67/34/444286734.db2.gz PZMHSZPHHXRCSC-BBRMVZONSA-N 0 3 339.461 1.403 40 0 EDABHN O=C(N[C@H]1CCOC[C@@]12CCN(Cc1ccccn1)C2)N1CCCC1 ZINC000306135691 444286768 /nfs/dbraw/zinc/28/67/68/444286768.db2.gz OXXQELVUKWZOGS-HKUYNNGSSA-N 0 3 344.459 1.868 40 0 EDABHN Cc1ccccc1C(=O)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000585107370 448688428 /nfs/dbraw/zinc/68/84/28/448688428.db2.gz UWMULZVERQCNAH-AEFFLSMTSA-N 0 3 341.455 1.621 40 0 EDABHN OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCCCC1 ZINC000585275720 448720659 /nfs/dbraw/zinc/72/06/59/448720659.db2.gz ABPAADRCBMXRNJ-IBGZPJMESA-N 0 3 335.444 1.824 40 0 EDABHN OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCCCC1 ZINC000585275723 448720736 /nfs/dbraw/zinc/72/07/36/448720736.db2.gz ABPAADRCBMXRNJ-LJQANCHMSA-N 0 3 335.444 1.824 40 0 EDABHN Cc1cccnc1CN1CC2(C1)C[C@H](COCC(=O)N(C)C)CN2C ZINC000585093922 448677106 /nfs/dbraw/zinc/67/71/06/448677106.db2.gz PSAKBSPGYLTGPM-INIZCTEOSA-N 0 3 346.475 1.001 40 0 EDABHN O=C(c1ccc(F)c(F)c1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093876 448677431 /nfs/dbraw/zinc/67/74/31/448677431.db2.gz MEZZCCYKDQTTMO-CYBMUJFWSA-N 0 3 336.382 1.884 40 0 EDABHN CN(C)Cc1cccc([C@H]2CCCN2C(=O)CCN2CCOCC2)n1 ZINC000257199659 282149784 /nfs/dbraw/zinc/14/97/84/282149784.db2.gz AAIQMEBQUZJRPR-GOSISDBHSA-N 0 3 346.475 1.529 40 0 EDABHN CN(CCN1CCCCC1)C(=O)CCn1c2ccccc2oc1=O ZINC000019657695 202015230 /nfs/dbraw/zinc/01/52/30/202015230.db2.gz AYFGISPSNALEQM-UHFFFAOYSA-N 0 3 331.416 1.929 40 0 EDABHN COCCN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383545 203211086 /nfs/dbraw/zinc/21/10/86/203211086.db2.gz SCHBZRQDYACTHJ-UHFFFAOYSA-N 0 3 328.420 1.911 40 0 EDABHN NC(=O)c1cnn2c1nccc2C1CCN(Cc2ccccn2)CC1 ZINC000257251784 244270926 /nfs/dbraw/zinc/27/09/26/244270926.db2.gz JSFGKVARARWDPW-UHFFFAOYSA-N 0 3 336.399 1.603 40 0 EDABHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000332823888 141239674 /nfs/dbraw/zinc/23/96/74/141239674.db2.gz GORFUKMZFZTXGJ-CABCVRRESA-N 0 3 335.452 1.410 40 0 EDABHN COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)CC2)cc1 ZINC000257320902 286296434 /nfs/dbraw/zinc/29/64/34/286296434.db2.gz VZDNARXSGGEIGQ-IAGOWNOFSA-N 0 3 330.428 1.394 40 0 EDABHN CO[C@H]1CCN(c2ncccn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109464 274081227 /nfs/dbraw/zinc/08/12/27/274081227.db2.gz MGMBNDNZQAPYAT-BBWFWOEESA-N 0 3 325.416 1.597 40 0 EDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cncs2)CC3)C1 ZINC000072368408 277055085 /nfs/dbraw/zinc/05/50/85/277055085.db2.gz QRWDNKYBUPBWRU-GFCCVEGCSA-N 0 3 346.460 1.242 40 0 EDABHN C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000005132670 440937329 /nfs/dbraw/zinc/93/73/29/440937329.db2.gz BTHCJHQOYFUIMG-CFDLWFHTSA-N 0 3 337.416 1.273 40 0 EDABHN NC(=[NH2+])N=C1NC([O-])=C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 ZINC000008559547 441095546 /nfs/dbraw/zinc/09/55/46/441095546.db2.gz ZYSKBLKSXXLVTD-QMMMGPOBSA-N 0 3 343.771 1.289 40 0 EDABHN O=C([C@H]1CCC[C@@]12CCN(Cc1ccncc1)C2)N1CCOCC1 ZINC000108526288 441459466 /nfs/dbraw/zinc/45/94/66/441459466.db2.gz HZNYWWJHQOOTIH-MJGOQNOKSA-N 0 3 329.444 1.933 40 0 EDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)n1 ZINC000096043388 441992405 /nfs/dbraw/zinc/99/24/05/441992405.db2.gz PQFVHUTZWWZQPX-FGTMMUONSA-N 0 3 345.443 1.781 40 0 EDABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccc(F)cc2)C3)cn1 ZINC000096061017 442008444 /nfs/dbraw/zinc/00/84/44/442008444.db2.gz HMZVDAUICOXTKO-OAHLLOKOSA-N 0 3 342.378 1.506 40 0 EDABHN O=C([C@H]1CCCO1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@@H]2C1 ZINC000096083365 442023896 /nfs/dbraw/zinc/02/38/96/442023896.db2.gz HVFBFULGUBJFTC-QWFCFKBJSA-N 0 3 344.455 1.260 40 0 EDABHN CC(C)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392944 442044150 /nfs/dbraw/zinc/04/41/50/442044150.db2.gz YQOZKEHTHFGVRO-INIZCTEOSA-N 0 3 333.432 1.983 40 0 EDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1 ZINC000096186220 442061886 /nfs/dbraw/zinc/06/18/86/442061886.db2.gz BPTFGTVHTSPSCL-IAGOWNOFSA-N 0 3 347.434 1.522 40 0 EDABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)c1ccoc1)CC2 ZINC000096196652 442069135 /nfs/dbraw/zinc/06/91/35/442069135.db2.gz QPQMGAXICIBGAC-UHFFFAOYSA-N 0 3 329.400 1.244 40 0 EDABHN CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 ZINC000096206447 442080551 /nfs/dbraw/zinc/08/05/51/442080551.db2.gz BSNXMSIXCQYHIS-JKSUJKDBSA-N 0 3 339.461 1.144 40 0 EDABHN CCS(=O)(=O)N1CCC2(C[C@H](COCC3CC3)N(C)C2)CC1 ZINC000096209307 442084359 /nfs/dbraw/zinc/08/43/59/442084359.db2.gz BNJHCULDEXUSIX-OAHLLOKOSA-N 0 3 330.494 1.549 40 0 EDABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccnc1)CC2 ZINC000096217733 442087921 /nfs/dbraw/zinc/08/79/21/442087921.db2.gz YLHAIUKNHROLII-LJQANCHMSA-N 0 3 344.459 1.631 40 0 EDABHN COCCN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260400 442108749 /nfs/dbraw/zinc/10/87/49/442108749.db2.gz RUWIKBNYALGTSM-UHFFFAOYSA-N 0 3 346.475 1.431 40 0 EDABHN O=C(C1CCOCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257316407 443144684 /nfs/dbraw/zinc/14/46/84/443144684.db2.gz VFMCTFFAKALQQX-HNNXBMFYSA-N 0 3 332.391 1.108 40 0 EDABHN CN(C)CCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1 ZINC000257336868 443153369 /nfs/dbraw/zinc/15/33/69/443153369.db2.gz YQIUJBBYEWASBK-UHFFFAOYSA-N 0 3 329.448 1.568 40 0 EDABHN O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1F ZINC000257342462 443156172 /nfs/dbraw/zinc/15/61/72/443156172.db2.gz ZOSDARFBDMQOSN-UMVBOHGHSA-N 0 3 328.409 1.092 40 0 EDABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(CC4CC4)C3)N2C1 ZINC000514289509 448160163 /nfs/dbraw/zinc/16/01/63/448160163.db2.gz MXHNCHIRGYOUQE-RTBURBONSA-N 0 3 327.472 1.402 40 0 biogenic,in-vitro EDABHN COCCN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC000585104960 448687507 /nfs/dbraw/zinc/68/75/07/448687507.db2.gz WPDORFUJZGDTQN-IBGZPJMESA-N 0 3 332.444 1.692 40 0 EDABHN O=S(=O)(NCC[C@@H]1Cn2cccc2CN(C2CCC2)C1)C1CC1 ZINC000585095244 448678709 /nfs/dbraw/zinc/67/87/09/448678709.db2.gz JDZPWERZECRLKH-CQSZACIVSA-N 0 3 337.489 1.944 40 0 EDABHN CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000585095473 448678964 /nfs/dbraw/zinc/67/89/64/448678964.db2.gz ZAVPPHLHVFMBLG-OAHLLOKOSA-N 0 3 326.466 1.464 40 0 EDABHN CN(C)CCN1CCOC[C@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096229384 282101485 /nfs/dbraw/zinc/10/14/85/282101485.db2.gz GAOWKCAYUZYYON-QGZVFWFLSA-N 0 3 339.505 1.213 40 0 EDABHN Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019238286 202000384 /nfs/dbraw/zinc/00/03/84/202000384.db2.gz ITKMDYGAVAMXGU-CJNGLKHVSA-N 0 3 340.431 1.552 40 0 EDABHN C[C@H](N)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1 ZINC000079412818 202434049 /nfs/dbraw/zinc/43/40/49/202434049.db2.gz LQJIXFHHUHGBTL-AWEZNQCLSA-N 0 3 333.432 1.841 40 0 EDABHN CNc1cccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257226902 244204776 /nfs/dbraw/zinc/20/47/76/244204776.db2.gz FMRMSOBHYJMEQG-INIZCTEOSA-N 0 3 332.448 1.898 40 0 EDABHN Cc1cc(C(=O)N[C@H]2CN3CCC2CC3)nc(C2CCN(C)CC2)n1 ZINC000072369465 203209613 /nfs/dbraw/zinc/20/96/13/203209613.db2.gz GEMYULLLFIPLFI-KRWDZBQOSA-N 0 3 343.475 1.418 40 0 EDABHN CC(C)C(=O)N1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 ZINC000072391682 203213475 /nfs/dbraw/zinc/21/34/75/203213475.db2.gz RJXXEWWUTPXZDS-ZDUSSCGKSA-N 0 3 330.436 1.360 40 0 EDABHN CN(C)c1cnc(C[C@@H]2CCCN(C(=O)C3(N)CCCC3)CC2)cn1 ZINC000257252588 244272554 /nfs/dbraw/zinc/27/25/54/244272554.db2.gz JVHPWBKZLFAQDG-OAHLLOKOSA-N 0 3 345.491 1.985 40 0 EDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccnc3)[C@H]2O)CC1 ZINC000514288673 257846663 /nfs/dbraw/zinc/84/66/63/257846663.db2.gz KFLUNPRVHBFXCE-HRCADAONSA-N 0 3 334.420 1.063 40 0 biogenic,in-vitro EDABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccs1)C2 ZINC000096203191 273795885 /nfs/dbraw/zinc/79/58/85/273795885.db2.gz OAOMKPPZCURWNT-KRWDZBQOSA-N 0 3 335.473 1.907 40 0 EDABHN O=c1[n-]c(N2CCOCC2)nc2c1CC[N@H+](Cc1ccccc1)CC2 ZINC000019372390 275042159 /nfs/dbraw/zinc/04/21/59/275042159.db2.gz GXRRYVKOJFZXEB-UHFFFAOYSA-N 0 3 340.427 1.207 40 0 EDABHN O=c1[n-]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccccc1)CC2 ZINC000019372390 275042160 /nfs/dbraw/zinc/04/21/60/275042160.db2.gz GXRRYVKOJFZXEB-UHFFFAOYSA-N 0 3 340.427 1.207 40 0 EDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccs2)C1 ZINC000096067256 276792289 /nfs/dbraw/zinc/79/22/89/276792289.db2.gz PWIHMNOPZRZYBG-AWEZNQCLSA-N 0 3 348.472 1.795 40 0 EDABHN Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019216631 441255716 /nfs/dbraw/zinc/25/57/16/441255716.db2.gz VXQLJOYMPAHNEH-UHFFFAOYSA-N 0 3 328.416 1.872 40 0 EDABHN Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1 ZINC000019216631 441255718 /nfs/dbraw/zinc/25/57/18/441255718.db2.gz VXQLJOYMPAHNEH-UHFFFAOYSA-N 0 3 328.416 1.872 40 0 EDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2ccccc2nc1N(C)C ZINC000019575880 441258882 /nfs/dbraw/zinc/25/88/82/441258882.db2.gz JMOWJHAYVDYJRN-BMGDILEWSA-N 0 3 340.471 1.940 40 0 EDABHN CCN(CC)CCNCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000022584653 441282345 /nfs/dbraw/zinc/28/23/45/441282345.db2.gz KADAAGHUBMHFCK-UHFFFAOYSA-N 0 3 348.491 1.275 40 0 EDABHN COCCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043179 441990671 /nfs/dbraw/zinc/99/06/71/441990671.db2.gz GUGWBJIQZSGORA-KSZLIROESA-N 0 3 332.444 1.471 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000096057287 442004568 /nfs/dbraw/zinc/00/45/68/442004568.db2.gz UKDCXGQUIQONAJ-ZACQAIPSSA-N 0 3 334.416 1.918 40 0 EDABHN Cn1cc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)cn1 ZINC000096158793 442048451 /nfs/dbraw/zinc/04/84/51/442048451.db2.gz DRXVUCMWLMGTGJ-UHFFFAOYSA-N 0 3 341.459 1.682 40 0 EDABHN CN1CCN(C[C@@H]2OC[C@H]3CN(Cc4ccncc4)CC[C@H]32)CC1 ZINC000096185270 442060249 /nfs/dbraw/zinc/06/02/49/442060249.db2.gz QZKIYFFBWBPVGJ-QRVBRYPASA-N 0 3 330.476 1.166 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(C)c21 ZINC000096198534 442071863 /nfs/dbraw/zinc/07/18/63/442071863.db2.gz GRMMASUGZOYRKB-CABCVRRESA-N 0 3 347.463 1.175 40 0 EDABHN CN(C)CCN1CCN(C(=O)c2cscn2)Cc2cccnc21 ZINC000096198835 442072917 /nfs/dbraw/zinc/07/29/17/442072917.db2.gz WTYIKHUNOMELOV-UHFFFAOYSA-N 0 3 331.445 1.562 40 0 EDABHN O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096202167 442077595 /nfs/dbraw/zinc/07/75/95/442077595.db2.gz MELZWGVYBUUKNR-LJQANCHMSA-N 0 3 348.443 1.757 40 0 EDABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21)N1CCCO1 ZINC000096206991 442080392 /nfs/dbraw/zinc/08/03/92/442080392.db2.gz BOWPRQOEBAHIBS-OIISXLGYSA-N 0 3 331.416 1.473 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)COc1ccccc1OC)CC[C@H]2OC ZINC000096209317 442085033 /nfs/dbraw/zinc/08/50/33/442085033.db2.gz AHLLBENSPLJAPM-ARFHVFGLSA-N 0 3 348.443 1.642 40 0 EDABHN Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(N)cc(C)n2)C1 ZINC000257285256 443131226 /nfs/dbraw/zinc/13/12/26/443131226.db2.gz PGHPAGSIOMLMJV-MRXNPFEDSA-N 0 3 330.388 1.720 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 ZINC000257303466 443138467 /nfs/dbraw/zinc/13/84/67/443138467.db2.gz SHIWNBQZSXSLHE-SFHVURJKSA-N 0 3 346.406 1.268 40 0 EDABHN Cc1nn(C)c(C)c1CN1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257320476 443146003 /nfs/dbraw/zinc/14/60/03/443146003.db2.gz VWZCZLFWFAPAFR-MRXNPFEDSA-N 0 3 332.452 1.395 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257201362 443124189 /nfs/dbraw/zinc/12/41/89/443124189.db2.gz AHIUNKWJCITDAS-KRWDZBQOSA-N 0 3 346.475 1.658 40 0 EDABHN Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH+](C(C)C)CC2)cc(=O)[n-]1 ZINC000257334157 443151549 /nfs/dbraw/zinc/15/15/49/443151549.db2.gz YEUCPRSJRUDCQZ-INIZCTEOSA-N 0 3 348.447 1.511 40 0 EDABHN CN(CCC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257342374 443155869 /nfs/dbraw/zinc/15/58/69/443155869.db2.gz ZOHVDYAFFVVKSL-KRWDZBQOSA-N 0 3 341.415 1.294 40 0 EDABHN COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)cc1 ZINC000514288401 448160411 /nfs/dbraw/zinc/16/04/11/448160411.db2.gz CPDHMWDYDDLEEU-OKZBNKHCSA-N 0 3 348.443 1.285 40 0 biogenic,in-vitro EDABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2ccncc2)CN3C)[nH]n1 ZINC000585093890 448676795 /nfs/dbraw/zinc/67/67/95/448676795.db2.gz NARGAQCPZSBZTK-KRWDZBQOSA-N 0 3 341.459 1.836 40 0 EDABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2ccncc2)CN3C)n[nH]1 ZINC000585093890 448676801 /nfs/dbraw/zinc/67/68/01/448676801.db2.gz NARGAQCPZSBZTK-KRWDZBQOSA-N 0 3 341.459 1.836 40 0 EDABHN Cc1cc(CN2CC3(C2)C[C@@H](COCc2ccncc2)CN3C)[nH]n1 ZINC000585093891 448677922 /nfs/dbraw/zinc/67/79/22/448677922.db2.gz NARGAQCPZSBZTK-QGZVFWFLSA-N 0 3 341.459 1.836 40 0 EDABHN Cc1cc(CN2CC3(C2)C[C@@H](COCc2ccncc2)CN3C)n[nH]1 ZINC000585093891 448677929 /nfs/dbraw/zinc/67/79/29/448677929.db2.gz NARGAQCPZSBZTK-QGZVFWFLSA-N 0 3 341.459 1.836 40 0 EDABHN CN1CCC[C@@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585286189 448732924 /nfs/dbraw/zinc/73/29/24/448732924.db2.gz VEDCUNBLKGJDRA-MYZZLAAOSA-N 0 3 332.444 1.805 40 0 EDABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 ZINC000072360915 216166999 /nfs/dbraw/zinc/16/69/99/216166999.db2.gz ZKAZMLWDQDWBQU-ZDUSSCGKSA-N 0 3 341.419 1.244 40 0 EDABHN Nc1nccnc1C[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000257214949 244162513 /nfs/dbraw/zinc/16/25/13/244162513.db2.gz COBKZNMXZMCSPL-INIZCTEOSA-N 0 3 342.443 1.885 40 0 EDABHN Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000257245141 244255658 /nfs/dbraw/zinc/25/56/58/244255658.db2.gz IOFNAICUYDQDTO-LBPRGKRZSA-N 0 3 346.460 1.958 40 0 EDABHN CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581870 212046523 /nfs/dbraw/zinc/04/65/23/212046523.db2.gz IQHUNDHZBMQYAA-DOTOQJQBSA-N 0 3 344.459 1.373 40 0 EDABHN Cc1ccc(N2C[C@H](OCCN3CCCC3)[C@H]3OCCC[C@H]32)nn1 ZINC000096065404 280883875 /nfs/dbraw/zinc/88/38/75/280883875.db2.gz NPGMRVLGNZRGHA-RYRKJORJSA-N 0 3 332.448 1.634 40 0 EDABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCN1C1CCOCC1 ZINC000257318510 289035117 /nfs/dbraw/zinc/03/51/17/289035117.db2.gz VOFWLLBPILACLA-OAHLLOKOSA-N 0 3 343.431 1.747 40 0 EDABHN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000002778329 440876048 /nfs/dbraw/zinc/87/60/48/440876048.db2.gz WMIFCTWMBNPSCH-GFCCVEGCSA-N 0 3 330.354 1.907 40 0 EDABHN C[C@H](c1cccc(F)c1)n1cc(C(=O)NCCN2CCCC2)nn1 ZINC000072341634 441229555 /nfs/dbraw/zinc/22/95/55/441229555.db2.gz OJWYCSJSFNRCIE-CYBMUJFWSA-N 0 3 331.395 1.852 40 0 EDABHN Cc1cc(Br)ccc1NC(=O)C(=O)NCCN(C)C ZINC000073743128 441349013 /nfs/dbraw/zinc/34/90/13/441349013.db2.gz QUZCPHRIYAVHEP-UHFFFAOYSA-N 0 3 328.210 1.374 40 0 EDABHN Cn1cc(C(=O)NC2CC3(C2)CCN(Cc2cccnc2)C3)cn1 ZINC000108528320 441460330 /nfs/dbraw/zinc/46/03/30/441460330.db2.gz RYSZFNJPJFOCHE-UHFFFAOYSA-N 0 3 325.416 1.600 40 0 EDABHN COCCNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108531971 441460926 /nfs/dbraw/zinc/46/09/26/441460926.db2.gz SYBDUMTWVVUHHZ-AEFFLSMTSA-N 0 3 334.464 1.483 40 0 EDABHN CCS(=O)(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000113943751 441628208 /nfs/dbraw/zinc/62/82/08/441628208.db2.gz POWWHDPGFFHVQK-UHFFFAOYSA-N 0 3 325.434 1.272 40 0 EDABHN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041625 441990192 /nfs/dbraw/zinc/99/01/92/441990192.db2.gz LUYKBRMDZMJLFK-CGTJXYLNSA-N 0 3 347.459 1.510 40 0 EDABHN Cc1cc(C(=O)N2CCc3c(COCCN(C)C)cncc3C2)no1 ZINC000096067355 442016108 /nfs/dbraw/zinc/01/61/08/442016108.db2.gz VQCSPZSHMMOUPL-UHFFFAOYSA-N 0 3 344.415 1.655 40 0 EDABHN Cn1ccnc1CN1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096070376 442019113 /nfs/dbraw/zinc/01/91/13/442019113.db2.gz KWVXFENOEBMHNJ-GOSISDBHSA-N 0 3 330.432 1.738 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)o1 ZINC000096108806 442033931 /nfs/dbraw/zinc/03/39/31/442033931.db2.gz ZOMNLYOYIQKYHF-APWZRJJASA-N 0 3 348.443 1.675 40 0 EDABHN CN(C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2 ZINC000096189355 442066439 /nfs/dbraw/zinc/06/64/39/442066439.db2.gz NYRVPXSHYWAMJC-UHFFFAOYSA-N 0 3 347.459 1.471 40 0 EDABHN CN(C)CCOC[C@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2nnn(C)c21 ZINC000096198537 442071997 /nfs/dbraw/zinc/07/19/97/442071997.db2.gz CUAHIMKQAJDPGB-HUUCEWRRSA-N 0 3 347.463 1.175 40 0 EDABHN CO[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cnn(C)c1 ZINC000096200192 442073916 /nfs/dbraw/zinc/07/39/16/442073916.db2.gz XXFPWOACTYTGBJ-JKSUJKDBSA-N 0 3 329.400 1.981 40 0 EDABHN Cc1noc(C)c1CN1CCC2(CCC(=O)N2CCN(C)C)CC1 ZINC000096228043 442095929 /nfs/dbraw/zinc/09/59/29/442095929.db2.gz VNRFMZDALJSSTK-UHFFFAOYSA-N 0 3 334.464 1.810 40 0 EDABHN COc1ccc(CN2C(=O)CO[C@@H]3CN(C[C@@H]4CCOC4)C[C@H]32)cc1 ZINC000096246437 442101606 /nfs/dbraw/zinc/10/16/06/442101606.db2.gz UKUZLLQYVKUMSK-CGTJXYLNSA-N 0 3 346.427 1.143 40 0 EDABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@@H]21 ZINC000096249273 442102908 /nfs/dbraw/zinc/10/29/08/442102908.db2.gz XBEZEPUQFBABCQ-GJZGRUSLSA-N 0 3 337.489 1.615 40 0 EDABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261460 442108831 /nfs/dbraw/zinc/10/88/31/442108831.db2.gz AQVDEUDTUQFSLR-ZIFCJYIRSA-N 0 3 341.459 1.671 40 0 EDABHN O=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247741222 442866292 /nfs/dbraw/zinc/86/62/92/442866292.db2.gz OLRYCBYKLYERQT-INIZCTEOSA-N 0 3 332.448 1.821 40 0 EDABHN CN(C)C(=O)CO[C@H]1Cn2cccc2CN(CC2CCOCC2)C1 ZINC000247973519 442875734 /nfs/dbraw/zinc/87/57/34/442875734.db2.gz HZRYRNSBQLAQKH-QGZVFWFLSA-N 0 3 335.448 1.204 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257309441 443141222 /nfs/dbraw/zinc/14/12/22/443141222.db2.gz UAYOXPCEGUWHGK-GOSISDBHSA-N 0 3 331.460 1.349 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000257320004 443146081 /nfs/dbraw/zinc/14/60/81/443146081.db2.gz VUYGEVBLNGXRMR-ZDUSSCGKSA-N 0 3 329.366 1.815 40 0 EDABHN CN(C)Cc1cnc(CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000257321894 443146628 /nfs/dbraw/zinc/14/66/28/443146628.db2.gz WDSQOUYHJFPQIE-GOSISDBHSA-N 0 3 345.491 1.414 40 0 EDABHN Cn1cccc1C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257260070 443126477 /nfs/dbraw/zinc/12/64/77/443126477.db2.gz LBEZLHFIFIJPNI-FQEVSTJZSA-N 0 3 339.439 1.660 40 0 EDABHN CCN(CC)S(=O)(=O)N1CCNC[C@@H]1c1ccc(OC)cc1 ZINC000257283833 443130478 /nfs/dbraw/zinc/13/04/78/443130478.db2.gz PAATUIOFCQUGHL-OAHLLOKOSA-N 0 3 327.450 1.228 40 0 EDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 ZINC000242548258 443211239 /nfs/dbraw/zinc/21/12/39/443211239.db2.gz LFYXCTKVCKRHEA-KZNAEPCWSA-N 0 3 347.436 1.572 40 0 EDABHN O[C@H](Cn1cccn1)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000298699676 443842612 /nfs/dbraw/zinc/84/26/12/443842612.db2.gz HNCPFNHYASQUJW-CVEARBPZSA-N 0 3 344.463 1.442 40 0 EDABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 ZINC000306125469 444285076 /nfs/dbraw/zinc/28/50/76/444285076.db2.gz CSBXZYNJDVZDME-KDOFPFPSSA-N 0 3 349.431 1.504 40 0 EDABHN CN1CCC(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585275252 448719126 /nfs/dbraw/zinc/71/91/26/448719126.db2.gz BBNNBUMLKMPTNY-SFHVURJKSA-N 0 3 338.423 1.362 40 0 EDABHN Cc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093872 448677264 /nfs/dbraw/zinc/67/72/64/448677264.db2.gz LUOXUWPFXFGCBD-INIZCTEOSA-N 0 3 346.446 1.982 40 0 EDABHN CN(C)C[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 ZINC000585098582 448684112 /nfs/dbraw/zinc/68/41/12/448684112.db2.gz ZLVVXPVILTZKIR-HNNXBMFYSA-N 0 3 346.406 1.764 40 0 EDABHN CNC(=O)[C@@]1(C)CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585284126 448731355 /nfs/dbraw/zinc/73/13/55/448731355.db2.gz HCVZQYLLFDVXTH-OLMNPRSZSA-N 0 3 326.481 1.791 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)C2(CN)CN)cc1 ZINC000218455246 486127580 /nfs/dbraw/zinc/12/75/80/486127580.db2.gz NXXLAGDSIPPKEW-SJORKVTESA-N 0 3 348.443 1.978 40 0 EDABHN CCOCCN[C@H](C(=O)N[C@H](C)C(=O)Nc1ccccc1)C(C)C ZINC000224554945 486169725 /nfs/dbraw/zinc/16/97/25/486169725.db2.gz ZYRCZFNWEPUEFA-ZBFHGGJFSA-N 0 3 335.448 1.781 40 0 EDABHN CC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@H]1c1ccccc1 ZINC000257254990 534780541 /nfs/dbraw/zinc/78/05/41/534780541.db2.gz KFQXNCYFVHMGCR-SFHVURJKSA-N 0 3 329.444 1.760 40 0 EDABHN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCN(C)CC1 ZINC000216382555 536048380 /nfs/dbraw/zinc/04/83/80/536048380.db2.gz CLGFDAUTARQOFH-SFHVURJKSA-N 0 3 349.475 1.606 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)N2CCCCC2)c1 ZINC000257200681 290634442 /nfs/dbraw/zinc/63/44/42/290634442.db2.gz AEMDNNQJWYBDIP-KRWDZBQOSA-N 0 3 344.459 1.005 40 0 EDABHN CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1 ZINC000038752141 213223445 /nfs/dbraw/zinc/22/34/45/213223445.db2.gz VNTSKZFEQUDBED-KRWDZBQOSA-N 0 3 333.476 1.906 40 0 EDABHN Cc1cc(C(=O)NCc2cccnc2)nc(C2CCN(C)CC2)n1 ZINC000072387108 216185507 /nfs/dbraw/zinc/18/55/07/216185507.db2.gz QNVZBUDUOFRVIK-UHFFFAOYSA-N 0 3 325.416 1.919 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2C[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000217989548 241290515 /nfs/dbraw/zinc/29/05/15/241290515.db2.gz APJBXMFIDGDCRU-BBRMVZONSA-N 0 3 340.445 1.763 40 0 EDABHN Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)o1 ZINC000019748092 212061498 /nfs/dbraw/zinc/06/14/98/212061498.db2.gz KPCLZZVNZDTIPF-HNNXBMFYSA-N 0 3 348.447 1.356 40 0 EDABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)c1ccccn1)C2 ZINC000019707346 212056296 /nfs/dbraw/zinc/05/62/96/212056296.db2.gz BBEIOBODNJHHEF-ZDUSSCGKSA-N 0 3 338.415 1.536 40 0 EDABHN CC(C)[C@H](N)C(=O)NCc1ccccc1I ZINC000079420981 217223107 /nfs/dbraw/zinc/22/31/07/217223107.db2.gz GMGYIOBSFWDMEC-NSHDSACASA-N 0 3 332.185 1.891 40 0 EDABHN O=C(c1ccco1)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096073994 296266949 /nfs/dbraw/zinc/26/69/49/296266949.db2.gz MMACZZCUUJEXHJ-IBGZPJMESA-N 0 3 345.443 1.830 40 0 EDABHN NC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000009062805 211037840 /nfs/dbraw/zinc/03/78/40/211037840.db2.gz TUSVHTDJZKTESY-UHFFFAOYSA-N 0 3 329.444 1.623 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039531 218521272 /nfs/dbraw/zinc/52/12/72/218521272.db2.gz LTYGDNFTKVJDMB-FUHWJXTLSA-N 0 3 336.432 1.869 40 0 EDABHN CC(=O)NCc1cc([C@H]2CCCN2C2CCN(C(C)=O)CC2)ccn1 ZINC000257281601 278124130 /nfs/dbraw/zinc/12/41/30/278124130.db2.gz OQBNNMGETSWCEN-LJQANCHMSA-N 0 3 344.459 1.866 40 0 EDABHN CC(=O)N[C@]12CN(c3nnc(C)c4ccccc43)C[C@H]1CN(C)CC2 ZINC000019713661 441259482 /nfs/dbraw/zinc/25/94/82/441259482.db2.gz QQQHUOYBWVSRMC-DNVCBOLYSA-N 0 3 339.443 1.585 40 0 EDABHN Cc1cccc(OC[C@]2(CNCc3cccnc3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430355 441416827 /nfs/dbraw/zinc/41/68/27/441416827.db2.gz YJEMQVXOGXONAA-IZZQQSIFSA-N 0 3 343.427 1.456 40 0 biogenic,in-vitro EDABHN CCn1nccc1/C=C/C(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000095435341 441927062 /nfs/dbraw/zinc/92/70/62/441927062.db2.gz DJFCRFFWDDSKIX-AMGAKCQWSA-N 0 3 346.475 1.922 40 0 EDABHN COCCn1cc2c(n1)[C@H](CNCc1cccc(OC)c1)OCC2 ZINC000096044326 441992837 /nfs/dbraw/zinc/99/28/37/441992837.db2.gz APVVWHBSWLLIIG-KRWDZBQOSA-N 0 3 331.416 1.942 40 0 EDABHN Cn1cc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)cn1 ZINC000096047039 441995135 /nfs/dbraw/zinc/99/51/35/441995135.db2.gz ZUKZZQQZARPHGG-LJQANCHMSA-N 0 3 339.443 1.943 40 0 EDABHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096038618 441983739 /nfs/dbraw/zinc/98/37/39/441983739.db2.gz ZRKVVMXULVGSOO-BPLDGKMQSA-N 0 3 328.372 1.403 40 0 EDABHN CN(C)CCOC[C@@H]1CN(Cc2cccs2)Cc2nnn(C)c21 ZINC000096060655 442008724 /nfs/dbraw/zinc/00/87/24/442008724.db2.gz ZAUKZPUGKAOVIM-ZDUSSCGKSA-N 0 3 335.477 1.554 40 0 EDABHN Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)o1 ZINC000096060683 442008792 /nfs/dbraw/zinc/00/87/92/442008792.db2.gz WRLMJAMKJAWVLY-CYBMUJFWSA-N 0 3 347.419 1.034 40 0 EDABHN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2O1 ZINC000096065497 442012171 /nfs/dbraw/zinc/01/21/71/442012171.db2.gz GWVKLZQXRCMBNM-SZMVWBNQSA-N 0 3 344.459 1.595 40 0 EDABHN Cn1cc(CN2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)cn1 ZINC000096070365 442018429 /nfs/dbraw/zinc/01/84/29/442018429.db2.gz SDFPXHSSIMTHRU-IBGZPJMESA-N 0 3 341.459 1.540 40 0 EDABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NCC1CC1 ZINC000096082976 442024512 /nfs/dbraw/zinc/02/45/12/442024512.db2.gz PHEOTYYNEZUQDV-ARFHVFGLSA-N 0 3 342.505 1.294 40 0 EDABHN Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccn1)C2 ZINC000096108437 442031766 /nfs/dbraw/zinc/03/17/66/442031766.db2.gz YWWTWMWDIVRFIB-BEFAXECRSA-N 0 3 340.427 1.299 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cncc(C)c1)CC[C@@H]2OC ZINC000096109427 442035166 /nfs/dbraw/zinc/03/51/66/442035166.db2.gz OKADUTUITWYQMO-BBWFWOEESA-N 0 3 333.432 1.198 40 0 EDABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@H]21)c1ccnnc1 ZINC000096185352 442059877 /nfs/dbraw/zinc/05/98/77/442059877.db2.gz WYVDPMZQKSBKNR-OIISXLGYSA-N 0 3 342.399 1.337 40 0 EDABHN Cc1cccc(CN2CC[C@@]3(C2)CCCN(CC(=O)N(C)C)C3)n1 ZINC000096215319 442085863 /nfs/dbraw/zinc/08/58/63/442085863.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 0 3 330.476 1.766 40 0 EDABHN COc1ccc2c3c1O[C@]1(CO)C(OC)=CC=C4[C@H](C2)N(C)CC[C@]341 ZINC000096316415 442111884 /nfs/dbraw/zinc/11/18/84/442111884.db2.gz MBCREQDZNVPNRN-VHKYSDTDSA-N 0 3 341.407 1.787 40 0 biogenic,in-vitro EDABHN COc1ccc(CN2CCN(C)C[C@H](C(=O)N(C)C)C2)c(OC)c1 ZINC000257325044 443148320 /nfs/dbraw/zinc/14/83/20/443148320.db2.gz WRFCAPGVSLFJFU-HNNXBMFYSA-N 0 3 335.448 1.156 40 0 EDABHN CC(=O)NCC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C ZINC000257312855 443143452 /nfs/dbraw/zinc/14/34/52/443143452.db2.gz UPVSOJXACWQDHU-OKZBNKHCSA-N 0 3 329.444 1.949 40 0 EDABHN O[C@@H]1[C@@H](Cn2cc(C3CC3)nn2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1O ZINC000225500361 443108092 /nfs/dbraw/zinc/10/80/92/443108092.db2.gz HENBMCYLBONCNT-UWIFEVILSA-N 0 3 346.406 1.195 40 0 biogenic,in-vitro EDABHN O=C(CCn1ncc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257340047 443155015 /nfs/dbraw/zinc/15/50/15/443155015.db2.gz ZEGOLMWKRNMTAA-IAGOWNOFSA-N 0 3 328.416 1.094 40 0 EDABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1 ZINC000260559691 443160450 /nfs/dbraw/zinc/16/04/50/443160450.db2.gz YOBFFHKRICZZEO-LSDHHAIUSA-N 0 3 345.443 1.876 40 0 EDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306133040 444286191 /nfs/dbraw/zinc/28/61/91/444286191.db2.gz LZVKNQBLLDRWHK-UHFFFAOYSA-N 0 3 340.431 1.261 40 0 EDABHN COC[C@@]1(CC(N)=O)CCCN1Cc1cnn2c1nc(C)cc2C ZINC000585279785 448729144 /nfs/dbraw/zinc/72/91/44/448729144.db2.gz YKAVARQFDTZVMJ-KRWDZBQOSA-N 0 3 331.420 1.203 40 0 EDABHN O[C@@H]1COC[C@@H](CNCc2cccc(C(F)(F)F)c2Cl)[C@@H]1O ZINC000585286562 448732261 /nfs/dbraw/zinc/73/22/61/448732261.db2.gz LJLDNPOFUYVAKB-XWIASGKRSA-N 0 3 339.741 1.817 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218584971 535596761 /nfs/dbraw/zinc/59/67/61/535596761.db2.gz MPSWWIWTYUUGEJ-IPYPFGDCSA-N 0 3 329.393 1.234 40 0 EDABHN COc1ccccc1Oc1cncc([C@H]2CCCN2C(=O)CN)n1 ZINC000072384461 216185624 /nfs/dbraw/zinc/18/56/24/216185624.db2.gz YHSPZSQNDRWWJF-CYBMUJFWSA-N 0 3 328.372 1.900 40 0 EDABHN COc1ccc(SCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000072782133 216304808 /nfs/dbraw/zinc/30/48/08/216304808.db2.gz UVKWHCOBHSDIFH-UHFFFAOYSA-N 0 3 337.489 1.541 40 0 EDABHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 ZINC000072830365 216312930 /nfs/dbraw/zinc/31/29/30/216312930.db2.gz YOBFFHKRICZZEO-CABCVRRESA-N 0 3 345.443 1.876 40 0 EDABHN CNCC(=O)N1CCC[C@](CCCc2ccncc2)(C(=O)N(C)C)C1 ZINC000257227491 244204426 /nfs/dbraw/zinc/20/44/26/244204426.db2.gz FPOFLSGOYRLEPN-IBGZPJMESA-N 0 3 346.475 1.321 40 0 EDABHN Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2cc(N)cc(C)n2)C1 ZINC000257235420 244225390 /nfs/dbraw/zinc/22/53/90/244225390.db2.gz GXTWLZJMIMXRJK-KRWDZBQOSA-N 0 3 343.431 1.465 40 0 EDABHN CNCC(=O)N1CC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000257274039 244387397 /nfs/dbraw/zinc/38/73/97/244387397.db2.gz NJHJSRSTGGEUOB-CYBMUJFWSA-N 0 3 326.404 1.459 40 0 EDABHN O=C(NC[C@H]1CNCCO1)c1ccc(Cl)cc1Br ZINC000236068972 139026352 /nfs/dbraw/zinc/02/63/52/139026352.db2.gz LHLKTAKOHRBKND-SECBINFHSA-N 0 3 333.613 1.821 40 0 EDABHN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCN1CCCCCC1 ZINC000013688953 211612288 /nfs/dbraw/zinc/61/22/88/211612288.db2.gz QLKGXZWSXASGCX-IYBDPMFKSA-N 0 3 347.459 1.320 40 0 EDABHN O=C(c1ccoc1)N1CC[C@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 ZINC000096249367 296276385 /nfs/dbraw/zinc/27/63/85/296276385.db2.gz NARFXCAGVUEGMS-QZTJIDSGSA-N 0 3 347.459 1.681 40 0 EDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218601901 273770561 /nfs/dbraw/zinc/77/05/61/273770561.db2.gz GYOCTJNJWBUSNI-KZNAEPCWSA-N 0 3 330.453 1.845 40 0 EDABHN OCCOc1ccc([C@H](Cc2ccccc2)N(CCO)CCO)cc1 ZINC000001668866 440850426 /nfs/dbraw/zinc/85/04/26/440850426.db2.gz CPZGTZLPRZWQTM-FQEVSTJZSA-N 0 3 345.439 1.628 40 0 EDABHN COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000096042643 441991750 /nfs/dbraw/zinc/99/17/50/441991750.db2.gz YUWCHAIFPNLNCB-KURKYZTESA-N 0 3 332.444 1.676 40 0 EDABHN Cn1cc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cn1 ZINC000096048976 441996867 /nfs/dbraw/zinc/99/68/67/441996867.db2.gz YUNVXHMITZZATR-UHFFFAOYSA-N 0 3 347.488 1.744 40 0 EDABHN O=C(NCC1CC1)[C@H]1CN(Cc2ccccn2)CC12CCOCC2 ZINC000096052137 442001041 /nfs/dbraw/zinc/00/10/41/442001041.db2.gz FWKFZIIUPXKJFG-QGZVFWFLSA-N 0 3 329.444 1.836 40 0 EDABHN O=C([C@@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCCC1 ZINC000096052190 442001555 /nfs/dbraw/zinc/00/15/55/442001555.db2.gz DGXIYPBLVMJWCR-KRWDZBQOSA-N 0 3 329.444 1.933 40 0 EDABHN O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096038624 441983804 /nfs/dbraw/zinc/98/38/04/441983804.db2.gz VUJVQSOBBSMSLU-KBAYOESNSA-N 0 3 338.411 1.810 40 0 EDABHN O=C([C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCC(F)CC1 ZINC000096038631 441983939 /nfs/dbraw/zinc/98/39/39/441983939.db2.gz PWPOXAXZKMTVTM-KBAYOESNSA-N 0 3 347.434 1.737 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039529 441985716 /nfs/dbraw/zinc/98/57/16/441985716.db2.gz LTYGDNFTKVJDMB-SJLPKXTDSA-N 0 3 336.432 1.869 40 0 EDABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCN(C)CC4)[C@H]3C2)o1 ZINC000096056258 442002732 /nfs/dbraw/zinc/00/27/32/442002732.db2.gz FYGFYXFWWMEPIK-YTQUADARSA-N 0 3 333.476 1.672 40 0 EDABHN CCCS(=O)(=O)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 ZINC000096107733 442030049 /nfs/dbraw/zinc/03/00/49/442030049.db2.gz NVDCJMGJLQZKCI-CVEARBPZSA-N 0 3 346.493 1.072 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(C)n1)CC[C@H]2OC ZINC000096108546 442033241 /nfs/dbraw/zinc/03/32/41/442033241.db2.gz VWLHPJPLBRLNHT-USXIJHARSA-N 0 3 333.432 1.198 40 0 EDABHN CN(C)CCN1CCOCC12CCN(C(=O)c1cccs1)CC2 ZINC000096226193 442094224 /nfs/dbraw/zinc/09/42/24/442094224.db2.gz PNJVCSOMWGHOMK-UHFFFAOYSA-N 0 3 337.489 1.617 40 0 EDABHN Cc1ccoc1C(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC000096196655 442069126 /nfs/dbraw/zinc/06/91/26/442069126.db2.gz GABQMVTVHGYYOC-UHFFFAOYSA-N 0 3 343.427 1.552 40 0 EDABHN Cc1noc(C)c1CNC[C@H]1Cn2nnc(-c3ccncc3)c2CO1 ZINC000096199252 442072785 /nfs/dbraw/zinc/07/27/85/442072785.db2.gz PKIBWTIJAVKDAS-AWEZNQCLSA-N 0 3 340.387 1.634 40 0 EDABHN COCCNC(=O)C[C@H]1OC[C@H]2CN(Cc3ccc(C)o3)CC[C@H]21 ZINC000096207069 442080578 /nfs/dbraw/zinc/08/05/78/442080578.db2.gz CSJPSXZAZRXFBT-DJIMGWMZSA-N 0 3 336.432 1.578 40 0 EDABHN COc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2nc(C)n[nH]2)C1 ZINC000096209140 442084302 /nfs/dbraw/zinc/08/43/02/442084302.db2.gz WFTAGMIIKPHIJU-OAGGEKHMSA-N 0 3 343.431 1.596 40 0 EDABHN COc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1 ZINC000096209140 442084306 /nfs/dbraw/zinc/08/43/06/442084306.db2.gz WFTAGMIIKPHIJU-OAGGEKHMSA-N 0 3 343.431 1.596 40 0 EDABHN COc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C)[nH]2)C1 ZINC000096209140 442084310 /nfs/dbraw/zinc/08/43/10/442084310.db2.gz WFTAGMIIKPHIJU-OAGGEKHMSA-N 0 3 343.431 1.596 40 0 EDABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257310881 443142502 /nfs/dbraw/zinc/14/25/02/443142502.db2.gz UHAITAIBVYGOMD-BDXSIMOUSA-N 0 3 332.444 1.804 40 0 EDABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 ZINC000242723183 443211949 /nfs/dbraw/zinc/21/19/49/443211949.db2.gz YFJSAXROTFWLGP-SQNIBIBYSA-N 0 3 346.452 1.600 40 0 EDABHN Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(C(C)C)C[C@@H]32)cc1 ZINC000306141942 444287618 /nfs/dbraw/zinc/28/76/18/444287618.db2.gz WKXQPDOAYLVKNW-JKSUJKDBSA-N 0 3 340.427 1.199 40 0 EDABHN Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)n1 ZINC000585098160 448682576 /nfs/dbraw/zinc/68/25/76/448682576.db2.gz VHTNEKGKJDWMBC-INIZCTEOSA-N 0 3 342.447 1.056 40 0 EDABHN Cc1cc(C)nc(Nc2nccnc2C2CCN(CCO)CC2)n1 ZINC000072363461 216169873 /nfs/dbraw/zinc/16/98/73/216169873.db2.gz KHWLRCJZIHVAME-UHFFFAOYSA-N 0 3 328.420 1.799 40 0 EDABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 ZINC000072830362 216312166 /nfs/dbraw/zinc/31/21/66/216312166.db2.gz YOBFFHKRICZZEO-GJZGRUSLSA-N 0 3 345.443 1.876 40 0 EDABHN Cc1nc(CC(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)cs1 ZINC000257241457 244245370 /nfs/dbraw/zinc/24/53/70/244245370.db2.gz HYCDJDGENFYPQN-HNNXBMFYSA-N 0 3 332.429 1.880 40 0 EDABHN Cn1cccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257256325 244280517 /nfs/dbraw/zinc/28/05/17/244280517.db2.gz KKZJOCTZRZNTSN-OAHLLOKOSA-N 0 3 327.375 1.333 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012089002 211288979 /nfs/dbraw/zinc/28/89/79/211288979.db2.gz ZVRMPUDBLPLPRN-INIZCTEOSA-N 0 3 330.432 1.373 40 0 EDABHN Fc1cnc(N2CCOC3(CCN(Cc4cccnc4)CC3)C2)nc1 ZINC000096159072 218634369 /nfs/dbraw/zinc/63/43/69/218634369.db2.gz ZTTZHDQSWDQCEE-UHFFFAOYSA-N 0 3 343.406 1.882 40 0 EDABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096243544 273956343 /nfs/dbraw/zinc/95/63/43/273956343.db2.gz WUOXWBSUYFUIIA-CQSZACIVSA-N 0 3 346.456 1.581 40 0 EDABHN C[C@H](N)C(=O)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391347 298944601 /nfs/dbraw/zinc/94/46/01/298944601.db2.gz NSCULTFJGXIHGV-QWHCGFSZSA-N 0 3 325.453 1.972 40 0 EDABHN CC(C)N1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334494 441230051 /nfs/dbraw/zinc/23/00/51/441230051.db2.gz AUPQIIBJLXGADX-OXJNMPFZSA-N 0 3 343.471 1.966 40 0 EDABHN O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000107191518 441402940 /nfs/dbraw/zinc/40/29/40/441402940.db2.gz UIVVIMRXKUMEGD-QFBILLFUSA-N 0 3 329.444 1.933 40 0 EDABHN CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000113945144 441628684 /nfs/dbraw/zinc/62/86/84/441628684.db2.gz YJEBRZRYQMPMRV-UHFFFAOYSA-N 0 3 339.461 1.297 40 0 EDABHN CCOc1ccc([C@@H](N)c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095534267 441952091 /nfs/dbraw/zinc/95/20/91/441952091.db2.gz PQSNFOLSVDADNZ-OAHLLOKOSA-N 0 3 328.376 1.505 40 0 EDABHN O=C([C@@H]1CN(Cc2ccncc2)CC12CCOCC2)N1CCOCC1 ZINC000096052226 442001229 /nfs/dbraw/zinc/00/12/29/442001229.db2.gz RLOHYVASXFANKC-KRWDZBQOSA-N 0 3 345.443 1.169 40 0 EDABHN O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096040757 441987056 /nfs/dbraw/zinc/98/70/56/441987056.db2.gz KYHMZKCKUOEEGI-NXHRZFHOSA-N 0 3 341.411 1.685 40 0 EDABHN O=c1ccc2c(n1CCn1cccn1)CC[C@@H](NCc1ccco1)C2 ZINC000096067691 442016059 /nfs/dbraw/zinc/01/60/59/442016059.db2.gz WYBRSXUSEYYMLS-MRXNPFEDSA-N 0 3 338.411 1.985 40 0 EDABHN CN1C[C@H](NCc2cccnc2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113411 442037488 /nfs/dbraw/zinc/03/74/88/442037488.db2.gz DTEPWHIQRXQBAQ-NVXWUHKLSA-N 0 3 344.459 1.467 40 0 biogenic,in-vitro EDABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000096224440 442093274 /nfs/dbraw/zinc/09/32/74/442093274.db2.gz ROBXFCUIRVQIGA-IBGZPJMESA-N 0 3 339.443 1.830 40 0 EDABHN Cc1noc(C)c1CN1CCC2(CC1)CN(c1ncccn1)CCO2 ZINC000096159020 442049287 /nfs/dbraw/zinc/04/92/87/442049287.db2.gz IPKCNLFXRWDWEY-UHFFFAOYSA-N 0 3 343.431 1.953 40 0 EDABHN Cc1ccc(CC(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cc1 ZINC000096160235 442050435 /nfs/dbraw/zinc/05/04/35/442050435.db2.gz HRCOIRBEOGWCBG-AZUAARDMSA-N 0 3 346.471 1.876 40 0 EDABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]21 ZINC000096185615 442059701 /nfs/dbraw/zinc/05/97/01/442059701.db2.gz BRHPENCYVKEXOL-ILXRZTDVSA-N 0 3 331.445 1.575 40 0 EDABHN Cc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1 ZINC000096187421 442064421 /nfs/dbraw/zinc/06/44/21/442064421.db2.gz OQRPDVROXGFIBS-UHFFFAOYSA-N 0 3 343.431 1.257 40 0 EDABHN COCCn1c(=O)ccc2c1CC[C@H](NCc1cccnc1OC)C2 ZINC000096189670 442068159 /nfs/dbraw/zinc/06/81/59/442068159.db2.gz XENZBINMXKNBEL-INIZCTEOSA-N 0 3 343.427 1.545 40 0 EDABHN COCCO[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1cnn(C)c1 ZINC000096200219 442073755 /nfs/dbraw/zinc/07/37/55/442073755.db2.gz HUDLOZNMZYNESH-ZWKOTPCHSA-N 0 3 330.432 1.664 40 0 EDABHN Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccsc2)cn1 ZINC000096200953 442075292 /nfs/dbraw/zinc/07/52/92/442075292.db2.gz KBZXKCFXERBKEQ-MSOLQXFVSA-N 0 3 346.500 1.999 40 0 EDABHN CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096216696 442087396 /nfs/dbraw/zinc/08/73/96/442087396.db2.gz MSBPUCNOHHOUPR-OAHLLOKOSA-N 0 3 335.452 1.062 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)C2(CN)CN)cc1 ZINC000218047238 443058039 /nfs/dbraw/zinc/05/80/39/443058039.db2.gz PDCYAMKYUIFTQG-IRXDYDNUSA-N 0 3 330.453 1.839 40 0 EDABHN NCC1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218449058 443058767 /nfs/dbraw/zinc/05/87/67/443058767.db2.gz RHVLHVIVOKPUKP-HOTGVXAUSA-N 0 3 334.416 1.669 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000257309442 443141456 /nfs/dbraw/zinc/14/14/56/443141456.db2.gz UAYOXPCEGUWHGK-SFHVURJKSA-N 0 3 331.460 1.349 40 0 EDABHN CN1CCN(Cc2cccc(Br)c2)C[C@H](C(N)=O)C1 ZINC000257316143 443144705 /nfs/dbraw/zinc/14/47/05/443144705.db2.gz VEIAZQCOQPKODB-GFCCVEGCSA-N 0 3 326.238 1.298 40 0 EDABHN CCN1CCN(C(=O)c2nccnc2C[C@H]2CCCN(C)C2)CC1 ZINC000257331927 443151389 /nfs/dbraw/zinc/15/13/89/443151389.db2.gz XUXKXIVHNRBHDL-OAHLLOKOSA-N 0 3 331.464 1.139 40 0 EDABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC ZINC000242648755 443211965 /nfs/dbraw/zinc/21/19/65/443211965.db2.gz RGFUOFHQFTZYBK-ARFHVFGLSA-N 0 3 341.429 1.297 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306123752 444284781 /nfs/dbraw/zinc/28/47/81/444284781.db2.gz AVSCJEIGXWMWJL-GJZGRUSLSA-N 0 3 340.431 1.116 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306129090 444285791 /nfs/dbraw/zinc/28/57/91/444285791.db2.gz HUCWTQJRKZOIOY-HUUCEWRRSA-N 0 3 340.431 1.116 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306132741 444286257 /nfs/dbraw/zinc/28/62/57/444286257.db2.gz LQSUKKYFXLLQKM-KBPBESRZSA-N 0 3 345.472 1.782 40 0 EDABHN CN(C)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000306140370 444287605 /nfs/dbraw/zinc/28/76/05/444287605.db2.gz URFMTPJUYLZGSB-CYBMUJFWSA-N 0 3 330.407 1.999 40 0 EDABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 ZINC000514288975 448161025 /nfs/dbraw/zinc/16/10/25/448161025.db2.gz HOIHFJAYFSAOAS-WOJBJXKFSA-N 0 3 341.499 1.934 40 0 biogenic,in-vitro EDABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 ZINC000585099795 448684787 /nfs/dbraw/zinc/68/47/87/448684787.db2.gz AWJJHGOEKNGKJV-IEBWSBKVSA-N 0 3 346.475 1.946 40 0 EDABHN CN(C)S(=O)(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C ZINC000257264840 536093551 /nfs/dbraw/zinc/09/35/51/536093551.db2.gz LWFGWZNPEMFRBQ-ULQDDVLXSA-N 0 3 337.489 1.745 40 0 EDABHN CC1(c2n[nH]cc2C(N)=O)CCN(CCOc2ccccc2)CC1 ZINC000257214939 244164731 /nfs/dbraw/zinc/16/47/31/244164731.db2.gz COAISBFOGIXTCS-UHFFFAOYSA-N 0 3 328.416 1.941 40 0 EDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)c1 ZINC000257330157 244546873 /nfs/dbraw/zinc/54/68/73/244546873.db2.gz XNCZKQKRKOWDQT-INIZCTEOSA-N 0 3 344.419 1.404 40 0 EDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]c(=O)c2C1 ZINC000019081277 212000144 /nfs/dbraw/zinc/00/01/44/212000144.db2.gz PXNNRNMFDVPTSM-GFCCVEGCSA-N 0 3 332.448 1.510 40 0 EDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]c(=O)c2C1 ZINC000019081277 212000146 /nfs/dbraw/zinc/00/01/46/212000146.db2.gz PXNNRNMFDVPTSM-GFCCVEGCSA-N 0 3 332.448 1.510 40 0 EDABHN O=C(CNC[C@@H]1CCCO1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261694539 139218223 /nfs/dbraw/zinc/21/82/23/139218223.db2.gz HTLOBVPDPBMQSW-HOTGVXAUSA-N 0 3 337.851 1.582 40 0 EDABHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cn1 ZINC000096064670 218559710 /nfs/dbraw/zinc/55/97/10/218559710.db2.gz YUFHWOHXNOIOCD-HZPDHXFCSA-N 0 3 330.432 1.157 40 0 EDABHN c1nc(N2CCOCC2)nc2c1COC[C@]21CCN(CC2CC2)C1 ZINC000096244180 275075779 /nfs/dbraw/zinc/07/57/79/275075779.db2.gz SPLMBESSPXEOML-GOSISDBHSA-N 0 3 330.432 1.197 40 0 EDABHN CC(C)N(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392954 279274656 /nfs/dbraw/zinc/27/46/56/279274656.db2.gz KTBYPKYWTOUDFF-MRXNPFEDSA-N 0 3 333.432 1.983 40 0 EDABHN CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059731 288973083 /nfs/dbraw/zinc/97/30/83/288973083.db2.gz YBFIWKLDRQHYRH-MRXNPFEDSA-N 0 3 346.406 1.514 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065020 289170872 /nfs/dbraw/zinc/17/08/72/289170872.db2.gz DPBVLBJZRJBCRS-WMZOPIPTSA-N 0 3 348.447 1.066 40 0 EDABHN CCN1CCN(C[C@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690245 441668678 /nfs/dbraw/zinc/66/86/78/441668678.db2.gz TUQOICJMPGBSKU-INIZCTEOSA-N 0 3 326.412 1.220 40 0 EDABHN Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCC4)C[C@H]3O2)cn1 ZINC000096042814 441990934 /nfs/dbraw/zinc/99/09/34/441990934.db2.gz FRHLTZDKKWGODP-IAOVAPTHSA-N 0 3 330.432 1.433 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC000096038637 441985944 /nfs/dbraw/zinc/98/59/44/441985944.db2.gz VCSWAVLOLUBEGP-DJIMGWMZSA-N 0 3 349.431 1.540 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCCCO1 ZINC000096057296 442005320 /nfs/dbraw/zinc/00/53/20/442005320.db2.gz IQAWDWNCUPNUIK-KURKYZTESA-N 0 3 345.443 1.720 40 0 EDABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096076294 442021795 /nfs/dbraw/zinc/02/17/95/442021795.db2.gz AFDOHLKAAPIYJR-SFHVURJKSA-N 0 3 333.432 1.283 40 0 EDABHN CN(C)C(=O)COC[C@@H]1CC2(CO1)CCN(Cc1ccoc1)CC2 ZINC000096105944 442029002 /nfs/dbraw/zinc/02/90/02/442029002.db2.gz CYQCOPUUQLGDHQ-INIZCTEOSA-N 0 3 336.432 1.756 40 0 EDABHN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(CC2CC2)C1 ZINC000096244588 442100546 /nfs/dbraw/zinc/10/05/46/442100546.db2.gz WHSUIGZONDXMSP-LJQANCHMSA-N 0 3 344.459 1.505 40 0 EDABHN Cc1c[nH]c([C@@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 ZINC000257316901 443144355 /nfs/dbraw/zinc/14/43/55/443144355.db2.gz VHMLSOYRTFGAMU-INIZCTEOSA-N 0 3 343.431 1.535 40 0 EDABHN CNCC(=O)N1CCC[C@]1(CCCc1cccnc1)C(=O)N(C)C ZINC000257323003 443147327 /nfs/dbraw/zinc/14/73/27/443147327.db2.gz WIJIASYIUMCFPH-GOSISDBHSA-N 0 3 332.448 1.073 40 0 EDABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccncc2)C1 ZINC000257327267 443149338 /nfs/dbraw/zinc/14/93/38/443149338.db2.gz XASJNUXISIFMAH-LJQANCHMSA-N 0 3 340.427 1.576 40 0 EDABHN O=C1CCCN1C[C@H]1CC[C@@]2(COCCN(C3CCOCC3)C2)O1 ZINC000306132248 444286245 /nfs/dbraw/zinc/28/62/45/444286245.db2.gz LCYGCDWWOWAORR-SJLPKXTDSA-N 0 3 338.448 1.038 40 0 EDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(CC4CC4)C3)N2C1 ZINC000514289473 448160620 /nfs/dbraw/zinc/16/06/20/448160620.db2.gz LVAPAYXTGNFTNK-WOJBJXKFSA-N 0 3 341.499 1.444 40 0 biogenic,in-vitro EDABHN O[C@@]1(CN2CCOCC2)CCN(Cc2ccc(OCCF)cc2)C1 ZINC000585269838 448717912 /nfs/dbraw/zinc/71/79/12/448717912.db2.gz LXNLEDWAJQALEM-GOSISDBHSA-N 0 3 338.423 1.304 40 0 EDABHN CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585282038 448730698 /nfs/dbraw/zinc/73/06/98/448730698.db2.gz WRZFPNUZKZFZGD-LJQANCHMSA-N 0 3 332.444 1.822 40 0 EDABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 ZINC000585283374 448731334 /nfs/dbraw/zinc/73/13/34/448731334.db2.gz NWRMJLHHARUIFF-AZUAARDMSA-N 0 3 346.471 1.429 40 0 EDABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 ZINC000585282804 448731754 /nfs/dbraw/zinc/73/17/54/448731754.db2.gz HYGGYCHDAAINGQ-PKOBYXMFSA-N 0 3 332.444 1.039 40 0 EDABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)CC1 ZINC000100747194 219105615 /nfs/dbraw/zinc/10/56/15/219105615.db2.gz ILHFDWFUDMBMOP-UKPHBRMFSA-N 0 3 344.459 1.991 40 0 EDABHN COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000072363205 216170073 /nfs/dbraw/zinc/17/00/73/216170073.db2.gz RCTLZSHCEFVSTF-ZDUSSCGKSA-N 0 3 342.399 1.942 40 0 EDABHN CN(C)c1cc(C[C@@H]2COCCN(CCc3ccccn3)C2)ncn1 ZINC000072388310 216187733 /nfs/dbraw/zinc/18/77/33/216187733.db2.gz DMTUOJOEDKISBK-INIZCTEOSA-N 0 3 341.459 1.671 40 0 EDABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 ZINC000257200533 244117423 /nfs/dbraw/zinc/11/74/23/244117423.db2.gz ADSCMBWHAUYEGJ-MRXNPFEDSA-N 0 3 329.404 1.963 40 0 EDABHN CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3)ccn2)C1 ZINC000257245939 244255576 /nfs/dbraw/zinc/25/55/76/244255576.db2.gz IRUHAZDOSOKXED-ZDUSSCGKSA-N 0 3 335.433 1.253 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257273500 244386217 /nfs/dbraw/zinc/38/62/17/244386217.db2.gz NGVOEPFKRHCTHV-QGZVFWFLSA-N 0 3 339.443 1.253 40 0 EDABHN CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019451899 212028878 /nfs/dbraw/zinc/02/88/78/212028878.db2.gz XLWQDFFUVNSHGK-CQSZACIVSA-N 0 3 340.431 1.946 40 0 EDABHN C[C@H](N)C(=O)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413024 217221915 /nfs/dbraw/zinc/22/19/15/217221915.db2.gz XECUJGRRHADWMX-BBRMVZONSA-N 0 3 331.416 1.736 40 0 EDABHN Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)N3Cc2cccnc2)n1 ZINC000012133970 211301679 /nfs/dbraw/zinc/30/16/79/211301679.db2.gz WNOAIRTXJHSVBA-JJTKIYQPSA-N 0 3 340.427 1.505 40 0 EDABHN O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000107710378 441427009 /nfs/dbraw/zinc/42/70/09/441427009.db2.gz LPRCOBXZRZCIIR-IEBWSBKVSA-N 0 3 344.411 1.675 40 0 EDABHN Cc1ccc(C(=O)NC2CCN(C)CC2)cc1NS(C)(=O)=O ZINC000113942339 441628189 /nfs/dbraw/zinc/62/81/89/441628189.db2.gz LYKGDBILDAZYGB-UHFFFAOYSA-N 0 3 325.434 1.191 40 0 EDABHN O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054384 442001205 /nfs/dbraw/zinc/00/12/05/442001205.db2.gz QHFJBWHJEGFNFQ-CVEARBPZSA-N 0 3 335.473 1.369 40 0 EDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCC(F)CC1 ZINC000096038630 441983884 /nfs/dbraw/zinc/98/38/84/441983884.db2.gz GWEABCBWZJJOCW-KBRIMQKVSA-N 0 3 336.407 1.935 40 0 EDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 ZINC000096038709 441984921 /nfs/dbraw/zinc/98/49/21/441984921.db2.gz BZRFYHAZWKIPAQ-SJLPKXTDSA-N 0 3 333.432 1.895 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096039773 441987405 /nfs/dbraw/zinc/98/74/05/441987405.db2.gz NMKAMUPDZSGQJE-IEBWSBKVSA-N 0 3 347.459 1.558 40 0 EDABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 ZINC000096058261 442007083 /nfs/dbraw/zinc/00/70/83/442007083.db2.gz WKMMSWASMWSAGL-FGTMMUONSA-N 0 3 329.444 1.835 40 0 EDABHN CN(C)CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060668 442007901 /nfs/dbraw/zinc/00/79/01/442007901.db2.gz QNPLLTSNVHCAQD-OAHLLOKOSA-N 0 3 347.438 1.632 40 0 EDABHN CN(C)CCOC[C@H]1CN(Cc2cccs2)Cc2nnn(C)c21 ZINC000096060654 442008114 /nfs/dbraw/zinc/00/81/14/442008114.db2.gz ZAUKZPUGKAOVIM-CYBMUJFWSA-N 0 3 335.477 1.554 40 0 EDABHN Cc1ccsc1CN1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107703 442030708 /nfs/dbraw/zinc/03/07/08/442030708.db2.gz JIPKXAKLEYEEBN-PBHICJAKSA-N 0 3 338.473 1.895 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)CC[C@H]2OC ZINC000096108537 442033575 /nfs/dbraw/zinc/03/35/75/442033575.db2.gz XPPOAWFFIVZXFI-ARFHVFGLSA-N 0 3 346.427 1.525 40 0 EDABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)N1CCN1CCOCC1 ZINC000096110746 442035815 /nfs/dbraw/zinc/03/58/15/442035815.db2.gz PFELCYRCPSSCNL-IAGOWNOFSA-N 0 3 349.500 1.646 40 0 EDABHN O=C([C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)N1CCCO1 ZINC000096111140 442036267 /nfs/dbraw/zinc/03/62/67/442036267.db2.gz ABIRLWWJYUSUOM-MRXNPFEDSA-N 0 3 331.416 1.759 40 0 EDABHN COc1ncccc1CN1CC[C@H]2[C@H](CNC(=O)C3CC3)OC[C@H]2C1 ZINC000096185303 442059534 /nfs/dbraw/zinc/05/95/34/442059534.db2.gz FUIYRSZKTSADCC-ZACQAIPSSA-N 0 3 345.443 1.453 40 0 EDABHN Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccoc2)cn1 ZINC000096200952 442074863 /nfs/dbraw/zinc/07/48/63/442074863.db2.gz KELPZAJJXSONBT-MSOLQXFVSA-N 0 3 330.432 1.531 40 0 EDABHN Cc1ccc(CN2CC[C@]3(C2)C[C@H](NS(C)(=O)=O)CCO3)cc1 ZINC000096217694 442088536 /nfs/dbraw/zinc/08/85/36/442088536.db2.gz JDJHEVLMUAGTAP-IAGOWNOFSA-N 0 3 338.473 1.668 40 0 EDABHN CN(C)CCN1CCOCC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000096239849 442099696 /nfs/dbraw/zinc/09/96/96/442099696.db2.gz NOFHLSJCLJXONU-UHFFFAOYSA-N 0 3 346.475 1.198 40 0 EDABHN CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2(N)CCCC2)C[C@H]1O ZINC000257303191 443138985 /nfs/dbraw/zinc/13/89/85/443138985.db2.gz SGDZFXNVFKSTEV-HZPDHXFCSA-N 0 3 335.423 1.101 40 0 EDABHN O=C(c1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257313861 443143365 /nfs/dbraw/zinc/14/33/65/443143365.db2.gz UUJWPRSEOPNBGJ-HNNXBMFYSA-N 0 3 325.359 1.390 40 0 EDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306130744 444285502 /nfs/dbraw/zinc/28/55/02/444285502.db2.gz JOHILYODECFVKI-RYUDHWBXSA-N 0 3 327.388 1.068 40 0 EDABHN COCC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CC2)CC[C@@]1(C)O ZINC000514289724 448160271 /nfs/dbraw/zinc/16/02/71/448160271.db2.gz CWYRCTVNVAXBCL-YESZJQIVSA-N 0 3 338.473 1.787 40 0 biogenic,in-vitro EDABHN CCCS(=O)(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585111781 448692558 /nfs/dbraw/zinc/69/25/58/448692558.db2.gz BSIHYCXKXPXOPY-OAHLLOKOSA-N 0 3 326.466 1.466 40 0 EDABHN CC(=O)N1CCC(N2CC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585276985 448723259 /nfs/dbraw/zinc/72/32/59/448723259.db2.gz RAXSARKSQITVHX-LJQANCHMSA-N 0 3 332.444 1.822 40 0 EDABHN CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289049 448734462 /nfs/dbraw/zinc/73/44/62/448734462.db2.gz MTZRUUDGFJZSJC-IPMKNSEASA-N 0 3 332.444 1.948 40 0 EDABHN CN(C)CCOC(=O)C1CC2(C1)CC(C(=O)OCCN(C)C)C2 ZINC000004705969 210255292 /nfs/dbraw/zinc/25/52/92/210255292.db2.gz HRCLOAIQUFEBLK-UHFFFAOYSA-N 0 3 326.437 1.002 40 0 EDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)n1 ZINC000097953379 219064009 /nfs/dbraw/zinc/06/40/09/219064009.db2.gz OUKDCAPMCHXMBF-SJLPKXTDSA-N 0 3 331.416 1.535 40 0 EDABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)CC1 ZINC000100746711 219105783 /nfs/dbraw/zinc/10/57/83/219105783.db2.gz PNKPTMSJBUMVDP-UKPHBRMFSA-N 0 3 344.459 1.991 40 0 EDABHN NC[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218577171 283525728 /nfs/dbraw/zinc/52/57/28/283525728.db2.gz RDDKBKLXRXKVJK-JYJNAYRXSA-N 0 3 336.844 1.936 40 0 EDABHN CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N3CCCC3)c2C1 ZINC000072372169 216177972 /nfs/dbraw/zinc/17/79/72/216177972.db2.gz LGCGBYIVEKUFJW-UHFFFAOYSA-N 0 3 343.475 1.791 40 0 EDABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000072859185 216319350 /nfs/dbraw/zinc/31/93/50/216319350.db2.gz OFHDGVZZOLBNHF-AWEZNQCLSA-N 0 3 331.416 1.439 40 0 EDABHN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022515504 212303294 /nfs/dbraw/zinc/30/32/94/212303294.db2.gz RWRAEAHOYYNVDM-KRWDZBQOSA-N 0 3 337.439 1.737 40 0 EDABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1 ZINC000257226589 244202806 /nfs/dbraw/zinc/20/28/06/244202806.db2.gz FLGWQABOMKRFFG-QGZVFWFLSA-N 0 3 343.431 1.698 40 0 EDABHN CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581873 212047256 /nfs/dbraw/zinc/04/72/56/212047256.db2.gz IQHUNDHZBMQYAA-WBVHZDCISA-N 0 3 344.459 1.373 40 0 EDABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2nccnc21 ZINC000019583026 212046958 /nfs/dbraw/zinc/04/69/58/212046958.db2.gz BPAJVIMMVHOBLH-CYBMUJFWSA-N 0 3 328.420 1.114 40 0 EDABHN CN1CCN([C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000019590083 212049487 /nfs/dbraw/zinc/04/94/87/212049487.db2.gz ADXHFFDSGXLVMH-IAGOWNOFSA-N 0 3 325.403 1.147 40 0 EDABHN COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019575220 212046199 /nfs/dbraw/zinc/04/61/99/212046199.db2.gz YSLQVUOJLZKJEI-VHDGCEQUSA-N 0 3 336.432 1.352 40 0 EDABHN COc1cc(OC)c(OC)cc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019575222 212045558 /nfs/dbraw/zinc/04/55/58/212045558.db2.gz YSLQVUOJLZKJEI-BPLDGKMQSA-N 0 3 336.432 1.352 40 0 EDABHN COc1c(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)nn1C ZINC000019577971 212045139 /nfs/dbraw/zinc/04/51/39/212045139.db2.gz CKPARNXSDXCOFI-INIZCTEOSA-N 0 3 342.447 1.510 40 0 EDABHN Cc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019209303 212004566 /nfs/dbraw/zinc/00/45/66/212004566.db2.gz JINIBJGBOGWVJY-INIZCTEOSA-N 0 3 336.439 1.989 40 0 EDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000252513871 257660094 /nfs/dbraw/zinc/66/00/94/257660094.db2.gz AMPDDUOBEOSGMI-OAGGEKHMSA-N 0 3 336.844 1.936 40 0 EDABHN CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 ZINC000306124898 257917834 /nfs/dbraw/zinc/91/78/34/257917834.db2.gz CBSKUOPGUTYRHN-UHFFFAOYSA-N 0 3 343.431 1.849 40 0 EDABHN CO[C@H]1CCN(c2ncc(F)cn2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096111079 274081419 /nfs/dbraw/zinc/08/14/19/274081419.db2.gz MJFBJVBAFBKINA-XHSDSOJGSA-N 0 3 332.379 1.934 40 0 EDABHN CN1CC[C@@]2(C1)COCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096201936 277159019 /nfs/dbraw/zinc/15/90/19/277159019.db2.gz FOGAWBOYBKHADO-HNNXBMFYSA-N 0 3 328.409 1.169 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCCCO1 ZINC000096057295 442005176 /nfs/dbraw/zinc/00/51/76/442005176.db2.gz NWVKSDACUBMLBI-NUJGCVRESA-N 0 3 345.443 1.720 40 0 EDABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccc(F)cc1)CC2 ZINC000096058868 442006335 /nfs/dbraw/zinc/00/63/35/442006335.db2.gz ZOENBFHCWRPTLV-UHFFFAOYSA-N 0 3 347.438 1.554 40 0 EDABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccncc1)C2 ZINC000096059581 442007956 /nfs/dbraw/zinc/00/79/56/442007956.db2.gz YBEARDFXZARMRC-UHFFFAOYSA-N 0 3 339.443 1.640 40 0 EDABHN C[C@@H]1CN(C(=O)c2ccccc2F)C[C@]12CCN(CCN(C)C)C2=O ZINC000096070286 442016871 /nfs/dbraw/zinc/01/68/71/442016871.db2.gz ZKZNNASWQIQNRR-AUUYWEPGSA-N 0 3 347.434 1.698 40 0 EDABHN Cn1cc(CN2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 ZINC000096074037 442020076 /nfs/dbraw/zinc/02/00/76/442020076.db2.gz WLGAASRNGJNHTN-GOSISDBHSA-N 0 3 325.416 1.834 40 0 EDABHN CCN1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC000096107967 442032634 /nfs/dbraw/zinc/03/26/34/442032634.db2.gz WWAAIJVINQWZGD-RBUKOAKNSA-N 0 3 328.456 1.971 40 0 EDABHN CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 ZINC000096228131 442096285 /nfs/dbraw/zinc/09/62/85/442096285.db2.gz FBWFBKUSIGOQBF-UHFFFAOYSA-N 0 3 336.480 1.657 40 0 EDABHN Cn1cc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096183529 442055595 /nfs/dbraw/zinc/05/55/95/442055595.db2.gz SCWOICNWBNIWND-FUHWJXTLSA-N 0 3 330.407 1.897 40 0 EDABHN CCOCC(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202190 442077557 /nfs/dbraw/zinc/07/75/57/442077557.db2.gz RFFUXJDDOSLWJX-QGZVFWFLSA-N 0 3 338.473 1.836 40 0 EDABHN COCCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249619 442103240 /nfs/dbraw/zinc/10/32/40/442103240.db2.gz FYOWXGQEZIFUHS-RTBURBONSA-N 0 3 346.471 1.815 40 0 EDABHN O=C(CN1Cc2ccnn2[C@H](CN2CCCCC2)C1)N1CCCC1 ZINC000247759864 442867791 /nfs/dbraw/zinc/86/77/91/442867791.db2.gz GPOWLNQVNZLYEY-QGZVFWFLSA-N 0 3 331.464 1.348 40 0 EDABHN COCC(=O)NC[C@@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000247816755 442869549 /nfs/dbraw/zinc/86/95/49/442869549.db2.gz GIDNDUACLFVOMQ-KRWDZBQOSA-N 0 3 342.443 1.320 40 0 EDABHN CCCS(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257299341 443136732 /nfs/dbraw/zinc/13/67/32/443136732.db2.gz RPQLGOWSXOSHQN-INIZCTEOSA-N 0 3 344.452 1.434 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1 ZINC000257307288 443140803 /nfs/dbraw/zinc/14/08/03/443140803.db2.gz SYAQLGIFBOFFCX-GOSISDBHSA-N 0 3 346.406 1.118 40 0 EDABHN CC(=O)N1CCC[C@H]1c1cncc(CN(C)C2CCN(C)CC2)n1 ZINC000257314536 443143688 /nfs/dbraw/zinc/14/36/88/443143688.db2.gz UXKMJZRVHPRWKI-SFHVURJKSA-N 0 3 331.464 1.686 40 0 EDABHN CCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c2ccccc21 ZINC000585182234 448715708 /nfs/dbraw/zinc/71/57/08/448715708.db2.gz DDSMEAWVJMTRGW-QZTJIDSGSA-N 0 3 327.428 1.942 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)o1 ZINC000097953533 219064295 /nfs/dbraw/zinc/06/42/95/219064295.db2.gz PQXSSMUITKSZLU-BMFZPTHFSA-N 0 3 342.399 1.711 40 0 EDABHN Cc1cc(C(=O)N[C@@H]2CN3CCC2CC3)nc(C2CCN(C)CC2)n1 ZINC000072369464 216176329 /nfs/dbraw/zinc/17/63/29/216176329.db2.gz GEMYULLLFIPLFI-QGZVFWFLSA-N 0 3 343.475 1.418 40 0 EDABHN CN1CCN(CCCNC(=O)CSCc2ccc(F)cc2)CC1 ZINC000020454053 212130536 /nfs/dbraw/zinc/13/05/36/212130536.db2.gz RTBDDSFKWLMAMJ-UHFFFAOYSA-N 0 3 339.480 1.813 40 0 EDABHN Cc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)no1 ZINC000257230198 244209367 /nfs/dbraw/zinc/20/93/67/244209367.db2.gz GBGVVEBANNHNAQ-AWEZNQCLSA-N 0 3 329.347 1.291 40 0 EDABHN CNC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc32)CCN(C(C)=O)C1 ZINC000257232986 244218998 /nfs/dbraw/zinc/21/89/98/244218998.db2.gz GNFKSLGJZWVTMI-OAHLLOKOSA-N 0 3 328.416 1.194 40 0 EDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2nccn2C(C)C)c1 ZINC000257246186 244257526 /nfs/dbraw/zinc/25/75/26/244257526.db2.gz ISYBOUHHAXQQKY-QGZVFWFLSA-N 0 3 341.459 1.970 40 0 EDABHN Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CN(C)Cc1cccnc1 ZINC000257260048 244292921 /nfs/dbraw/zinc/29/29/21/244292921.db2.gz LBDAIZCNFAPAHT-HNNXBMFYSA-N 0 3 329.404 1.145 40 0 EDABHN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCN(C)C)n1 ZINC000019457408 212030247 /nfs/dbraw/zinc/03/02/47/212030247.db2.gz INVOWODKCOBSOR-NSHDSACASA-N 0 3 338.843 1.421 40 0 EDABHN CN(C)CCOC[C@H]1CN(C(=O)C2=CCCCC2)Cc2nnn(C)c21 ZINC000096198539 289170856 /nfs/dbraw/zinc/17/08/56/289170856.db2.gz UESSVHBUMHBUIQ-OAHLLOKOSA-N 0 3 347.463 1.320 40 0 EDABHN O=C1CCCN1CCCNCc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013998946 441168735 /nfs/dbraw/zinc/16/87/35/441168735.db2.gz LWGCSTXTXFGJIW-UHFFFAOYSA-N 0 3 343.383 1.359 40 0 EDABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccc(CO)o3)C2)o1 ZINC000049170464 441348531 /nfs/dbraw/zinc/34/85/31/441348531.db2.gz VQRJVOCXKSJNJP-NSHDSACASA-N 0 3 329.360 1.545 40 0 biogenic,in-vitro EDABHN CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096182721 442056293 /nfs/dbraw/zinc/05/62/93/442056293.db2.gz XALDBZGXBCXYMQ-QRVBRYPASA-N 0 3 342.487 1.891 40 0 EDABHN Cc1ccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1F ZINC000096201966 442078373 /nfs/dbraw/zinc/07/83/73/442078373.db2.gz KWLFDKIKRZSFLK-MRXNPFEDSA-N 0 3 342.436 1.477 40 0 EDABHN CCOCC(=O)N1CCOC[C@]2(CN(Cc3ccco3)C[C@H]2C)C1 ZINC000096202398 442078820 /nfs/dbraw/zinc/07/88/20/442078820.db2.gz CEPMMFIHOZSJJY-QAPCUYQASA-N 0 3 336.432 1.613 40 0 EDABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)N1CCCO1 ZINC000096207150 442082527 /nfs/dbraw/zinc/08/25/27/442082527.db2.gz UYXKHVULZRANKG-ZACQAIPSSA-N 0 3 331.416 1.473 40 0 EDABHN Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cn1 ZINC000096208602 442083729 /nfs/dbraw/zinc/08/37/29/442083729.db2.gz ASGVIEUPAIRIMO-OAGGEKHMSA-N 0 3 343.431 1.760 40 0 EDABHN CCCn1ccnc1CN1CCNC[C@@H]1c1cccc(C(=O)NC)c1 ZINC000257286191 443131387 /nfs/dbraw/zinc/13/13/87/443131387.db2.gz PKRKPXYQDNCNAZ-QGZVFWFLSA-N 0 3 341.459 1.799 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1 ZINC000257324663 443148287 /nfs/dbraw/zinc/14/82/87/443148287.db2.gz WPQFQJHDELIQLR-INIZCTEOSA-N 0 3 327.388 1.460 40 0 EDABHN COc1cc(CCC(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)on1 ZINC000257305050 443139797 /nfs/dbraw/zinc/13/97/97/443139797.db2.gz SOFCXUDVJDHFIW-OAHLLOKOSA-N 0 3 346.387 1.502 40 0 EDABHN O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cccc(F)c1 ZINC000257281211 443127919 /nfs/dbraw/zinc/12/79/19/443127919.db2.gz OODJFGBCBBWVHA-RBSFLKMASA-N 0 3 328.409 1.092 40 0 EDABHN CC(C)NC(=O)C1(CCCc2cnccn2)CCN(CCO)CC1 ZINC000257282177 443129583 /nfs/dbraw/zinc/12/95/83/443129583.db2.gz OSROURLNQIVQPY-UHFFFAOYSA-N 0 3 334.464 1.398 40 0 EDABHN CCN(CC)S(=O)(=O)N1CCNC[C@H]1c1ccc(OC)cc1 ZINC000257283832 443130592 /nfs/dbraw/zinc/13/05/92/443130592.db2.gz PAATUIOFCQUGHL-HNNXBMFYSA-N 0 3 327.450 1.228 40 0 EDABHN CCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl ZINC000257327774 443149424 /nfs/dbraw/zinc/14/94/24/443149424.db2.gz XCQKKJJAESUKKQ-CJNGLKHVSA-N 0 3 337.851 1.927 40 0 EDABHN O[C@@H](Cn1cccn1)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000298699681 443842520 /nfs/dbraw/zinc/84/25/20/443842520.db2.gz HNCPFNHYASQUJW-HZPDHXFCSA-N 0 3 344.463 1.442 40 0 EDABHN COc1ccccc1CNc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329045056 444456347 /nfs/dbraw/zinc/45/63/47/444456347.db2.gz TURSAVAPFJYRFA-UHFFFAOYSA-N 0 3 341.459 1.792 40 0 EDABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)CN3C)[nH]n1 ZINC000585094012 448678015 /nfs/dbraw/zinc/67/80/15/448678015.db2.gz ZMQJBVBUTRJZHI-KRWDZBQOSA-N 0 3 341.459 1.836 40 0 EDABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)CN3C)n[nH]1 ZINC000585094012 448678017 /nfs/dbraw/zinc/67/80/17/448678017.db2.gz ZMQJBVBUTRJZHI-KRWDZBQOSA-N 0 3 341.459 1.836 40 0 EDABHN COc1ccccc1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585295103 448737189 /nfs/dbraw/zinc/73/71/89/448737189.db2.gz LVALRAFZQRAIHK-KVPLUYHFSA-N 0 3 343.423 1.205 40 0 EDABHN NCCS(=O)(=O)c1c(Br)cccc1Br ZINC000199552386 485811597 /nfs/dbraw/zinc/81/15/97/485811597.db2.gz LKNPZEGZGQCETA-UHFFFAOYSA-N 0 3 343.040 1.944 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000096039520 282109240 /nfs/dbraw/zinc/10/92/40/282109240.db2.gz BIKOPFBPLLYMBT-RDJZCZTQSA-N 0 3 338.427 1.569 40 0 EDABHN C[NH2+]CC(=O)N1CCCC[C@@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000257247721 290638187 /nfs/dbraw/zinc/63/81/87/290638187.db2.gz JAEATIQKEFFKGH-CYBMUJFWSA-N 0 3 327.392 1.283 40 0 EDABHN CC(C)N1CCN(C(=O)c2cnc(C[C@H]3CCCN(C)C3)cn2)CC1 ZINC000072369347 216176444 /nfs/dbraw/zinc/17/64/44/216176444.db2.gz UFLCHOCDHLJJMP-MRXNPFEDSA-N 0 3 345.491 1.527 40 0 EDABHN Cc1cc(N2CCC[C@@](C)(c3n[nH]cc3C(=O)N(C)C)C2)nc(N)n1 ZINC000072388789 216189037 /nfs/dbraw/zinc/18/90/37/216189037.db2.gz QUTPDDOKDFRDDQ-QGZVFWFLSA-N 0 3 343.435 1.350 40 0 EDABHN CC(C)CC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391625 216191016 /nfs/dbraw/zinc/19/10/16/216191016.db2.gz UBSYZGSHNZCFRG-ZDUSSCGKSA-N 0 3 330.436 1.408 40 0 EDABHN O=C(Cc1ccccn1)N1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000097953439 283880625 /nfs/dbraw/zinc/88/06/25/283880625.db2.gz IUAVCRCQIQGTCN-WDYCEAGBSA-N 0 3 329.444 1.726 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218047432 241293033 /nfs/dbraw/zinc/29/30/33/241293033.db2.gz JPTPFODCTOUOQV-FGTMMUONSA-N 0 3 331.437 1.872 40 0 EDABHN Cc1cc([C@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)nc(C)n1 ZINC000257218624 244174636 /nfs/dbraw/zinc/17/46/36/244174636.db2.gz DDUXOBSVTWLXNB-MRXNPFEDSA-N 0 3 332.448 1.725 40 0 EDABHN O[C@@H]1[C@H](NCc2cccnc2)CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000257223138 244192736 /nfs/dbraw/zinc/19/27/36/244192736.db2.gz DWBKVAARYRMABB-BRSBDYLESA-N 0 3 332.375 1.642 40 0 EDABHN CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccc(F)cc1 ZINC000257256770 244283349 /nfs/dbraw/zinc/28/33/49/244283349.db2.gz KMUVZVUCMGKBHD-BZUAXINKSA-N 0 3 342.436 1.434 40 0 EDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 ZINC000019709349 212055233 /nfs/dbraw/zinc/05/52/33/212055233.db2.gz YYXMEHFKDKSREE-OAHLLOKOSA-N 0 3 331.464 1.662 40 0 EDABHN COc1cc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)nc(OC)n1 ZINC000019496545 212032827 /nfs/dbraw/zinc/03/28/27/212032827.db2.gz QZSUYBZWHUBGHZ-LBPRGKRZSA-N 0 3 336.436 1.734 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079428169 217223890 /nfs/dbraw/zinc/22/38/90/217223890.db2.gz CUCHXCUJNJXXAM-HOTGVXAUSA-N 0 3 333.432 1.887 40 0 EDABHN Cc1cc2cc3c(cc2n2c(=O)n(CCN4CCCC4)nc12)OCO3 ZINC000012181991 211312678 /nfs/dbraw/zinc/31/26/78/211312678.db2.gz UAGNLTYTYFJGSL-UHFFFAOYSA-N 0 3 340.383 1.782 40 0 EDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1C ZINC000010339407 211166974 /nfs/dbraw/zinc/16/69/74/211166974.db2.gz QBSQLDIJHHESLE-CABCVRRESA-N 0 3 345.399 1.033 40 0 EDABHN Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@H]2c1ccccc1 ZINC000009289433 211062354 /nfs/dbraw/zinc/06/23/54/211062354.db2.gz ORICMVGGUBACQP-MRXNPFEDSA-N 0 3 338.415 1.128 40 0 EDABHN CC(=O)NCc1cccc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000257285996 278125059 /nfs/dbraw/zinc/12/50/59/278125059.db2.gz PJSVVGUNGSQEGO-IBGZPJMESA-N 0 3 344.459 1.866 40 0 EDABHN O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 ZINC000003874475 440907448 /nfs/dbraw/zinc/90/74/48/440907448.db2.gz DQCKKXVULJGBQN-QLIIJSOBSA-N 0 3 341.407 1.525 40 0 EDABHN CN(C)CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000013670200 441163658 /nfs/dbraw/zinc/16/36/58/441163658.db2.gz KDMQWJLZWCQQCP-UHFFFAOYSA-N 0 3 345.440 1.050 40 0 EDABHN O=C([O-])[C@@]12C[N@H+](Cc3cccnc3)C[C@@H]1CN([C@H]1CCOC1)CCC2 ZINC000107201589 441403999 /nfs/dbraw/zinc/40/39/99/441403999.db2.gz TWSNTSOZDJTUQN-AOIWGVFYSA-N 0 3 345.443 1.469 40 0 EDABHN O=C([O-])[C@@]12C[N@@H+](Cc3cccnc3)C[C@@H]1CN([C@H]1CCOC1)CCC2 ZINC000107201589 441404001 /nfs/dbraw/zinc/40/40/01/441404001.db2.gz TWSNTSOZDJTUQN-AOIWGVFYSA-N 0 3 345.443 1.469 40 0 EDABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccncc3)CC2)C1 ZINC000108528701 441460869 /nfs/dbraw/zinc/46/08/69/441460869.db2.gz XLYKSLVPTRRXFW-MRXNPFEDSA-N 0 3 332.448 1.866 40 0 EDABHN Cc1ccc(CN2CCC3(C[C@H](N4CCN(C)CC4)CO3)CC2)o1 ZINC000096048842 441996238 /nfs/dbraw/zinc/99/62/38/441996238.db2.gz IDPAZHFJPWPCJR-KRWDZBQOSA-N 0 3 333.476 1.959 40 0 EDABHN O=C(NCC1CC1)[C@@H]1CN(Cc2ccccn2)CC12CCOCC2 ZINC000096052138 442001716 /nfs/dbraw/zinc/00/17/16/442001716.db2.gz FWKFZIIUPXKJFG-KRWDZBQOSA-N 0 3 329.444 1.836 40 0 EDABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1 ZINC000096074093 442019949 /nfs/dbraw/zinc/01/99/49/442019949.db2.gz UFQBNENLFIZBLK-GOSISDBHSA-N 0 3 325.416 1.834 40 0 EDABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 ZINC000096110696 442036190 /nfs/dbraw/zinc/03/61/90/442036190.db2.gz ZPBMFJWMBZOQNU-RBUKOAKNSA-N 0 3 341.459 1.599 40 0 EDABHN CCc1ccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)o1 ZINC000096182300 442056242 /nfs/dbraw/zinc/05/62/42/442056242.db2.gz CIQIZJBZBDTBFJ-OKILXGFUSA-N 0 3 326.400 1.836 40 0 EDABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1 ZINC000096183693 442058414 /nfs/dbraw/zinc/05/84/14/442058414.db2.gz UATUKDMVWPAUQS-OKZBNKHCSA-N 0 3 347.459 1.532 40 0 EDABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)c1ccsc1)CC2 ZINC000096196653 442068995 /nfs/dbraw/zinc/06/89/95/442068995.db2.gz UOGBICFAVNJWEY-UHFFFAOYSA-N 0 3 345.468 1.712 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CC(F)(F)C1 ZINC000096207425 442081826 /nfs/dbraw/zinc/08/18/26/442081826.db2.gz GUJNGLWLLYJWTE-CJNGLKHVSA-N 0 3 337.370 1.398 40 0 EDABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)N1CCCO1 ZINC000096208408 442083237 /nfs/dbraw/zinc/08/32/37/442083237.db2.gz WKBKYPRAXVJKIN-ZACQAIPSSA-N 0 3 331.416 1.473 40 0 EDABHN CC(C)C(=O)N[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096215360 442087655 /nfs/dbraw/zinc/08/76/55/442087655.db2.gz GLBQQOWTZGASPF-INIZCTEOSA-N 0 3 334.464 1.563 40 0 EDABHN O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccoc1)C2 ZINC000096218238 442089201 /nfs/dbraw/zinc/08/92/01/442089201.db2.gz WARBJAWHQSGFHS-CRAIPNDOSA-N 0 3 327.384 1.692 40 0 EDABHN CNC(=O)c1cccc([C@H]2CN(CC3CCOCC3)CCN2C)c1 ZINC000257299968 443137966 /nfs/dbraw/zinc/13/79/66/443137966.db2.gz RSIWFUORFBSUNF-GOSISDBHSA-N 0 3 331.460 1.761 40 0 EDABHN O=C(CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1)N1CCOCC1 ZINC000257335873 443152711 /nfs/dbraw/zinc/15/27/11/443152711.db2.gz YMGQQAYSMUYAFW-HYVNUMGLSA-N 0 3 331.416 1.030 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1cccc(F)c1 ZINC000242554628 443211167 /nfs/dbraw/zinc/21/11/67/443211167.db2.gz MPSWWIWTYUUGEJ-UMVBOHGHSA-N 0 3 329.393 1.234 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC ZINC000242701719 443211819 /nfs/dbraw/zinc/21/18/19/443211819.db2.gz WLUYELGZVMMBFV-SQWLQELKSA-N 0 3 325.430 1.404 40 0 EDABHN COc1ccc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)c2c1 ZINC000299851054 444138155 /nfs/dbraw/zinc/13/81/55/444138155.db2.gz VRZDWTVRLNCZDN-IAGOWNOFSA-N 0 3 329.400 1.458 40 0 EDABHN CCN1CC[C@H](NCC2CC2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306132892 444286091 /nfs/dbraw/zinc/28/60/91/444286091.db2.gz LVJIJMMMLVLWAP-FUHWJXTLSA-N 0 3 334.464 1.122 40 0 EDABHN O=C(NC[C@H]1CC[C@]2(COCCN(CC3CC3)C2)O1)c1ccno1 ZINC000306132567 444286198 /nfs/dbraw/zinc/28/61/98/444286198.db2.gz LMNIQHYJJBGXEL-PBHICJAKSA-N 0 3 335.404 1.064 40 0 EDABHN CN(C)CCNc1nc(NCc2ccco2)cc(-c2cccnc2)n1 ZINC000329012540 444444878 /nfs/dbraw/zinc/44/48/78/444444878.db2.gz MKEAFUZSFNERII-UHFFFAOYSA-N 0 3 338.415 1.561 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218579992 535596579 /nfs/dbraw/zinc/59/65/79/535596579.db2.gz PACMMUHJVBRHGH-YDHLFZDLSA-N 0 3 329.393 1.234 40 0 EDABHN CN(C)CCNc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072365002 216172198 /nfs/dbraw/zinc/17/21/98/216172198.db2.gz GGYZWEYJPWIBCW-ZDUSSCGKSA-N 0 3 326.466 1.194 40 0 EDABHN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3C(=O)CN)n2)n1 ZINC000072382976 216184627 /nfs/dbraw/zinc/18/46/27/216184627.db2.gz FKVFRWUEKIWQGN-ZDUSSCGKSA-N 0 3 327.392 1.249 40 0 EDABHN NC[C@@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218156927 241302182 /nfs/dbraw/zinc/30/21/82/241302182.db2.gz MHPHAHDETPUDMN-IXDOHACOSA-N 0 3 346.408 1.011 40 0 EDABHN CN1CCC(Cc2ccccc2)(C(=O)N[C@H]2CCCNC2=O)CC1 ZINC000257233174 244218679 /nfs/dbraw/zinc/21/86/79/244218679.db2.gz GOCTWJAAJCTPEH-INIZCTEOSA-N 0 3 329.444 1.336 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cncs2)C1 ZINC000257253976 244275707 /nfs/dbraw/zinc/27/57/07/244275707.db2.gz KBBCUCDQZXATMO-QGZVFWFLSA-N 0 3 349.431 1.991 40 0 EDABHN CC(=O)N1CCN(Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 ZINC000257269268 244370256 /nfs/dbraw/zinc/37/02/56/244370256.db2.gz MPGRARNGQDGPPE-CQSZACIVSA-N 0 3 331.441 1.667 40 0 EDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccc3ccccc3n2)C1 ZINC000257276205 244393585 /nfs/dbraw/zinc/39/35/85/244393585.db2.gz NSUBBQJWRWGTBO-MRXNPFEDSA-N 0 3 326.444 1.687 40 0 EDABHN Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000019747896 212061502 /nfs/dbraw/zinc/06/15/02/212061502.db2.gz AGWBOMVPIPHAIG-OAHLLOKOSA-N 0 3 348.447 1.356 40 0 EDABHN Cc1cc(C)n2nc(C(=O)NCC(C)(C)N3CCCCC3)nc2n1 ZINC000019656623 212053562 /nfs/dbraw/zinc/05/35/62/212053562.db2.gz WYQICYRCLHXUII-UHFFFAOYSA-N 0 3 330.436 1.735 40 0 EDABHN CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019451897 212028896 /nfs/dbraw/zinc/02/88/96/212028896.db2.gz XLWQDFFUVNSHGK-AWEZNQCLSA-N 0 3 340.431 1.946 40 0 EDABHN Cc1cccnc1-n1cccc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019237897 212008464 /nfs/dbraw/zinc/00/84/64/212008464.db2.gz QGEACUCABJCNCI-CGTJXYLNSA-N 0 3 326.444 1.820 40 0 EDABHN C[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393200 217219539 /nfs/dbraw/zinc/21/95/39/217219539.db2.gz YIFNTHKOAWQHBC-HOCLYGCPSA-N 0 3 345.443 1.983 40 0 EDABHN C[C@H](N)C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393096 217218281 /nfs/dbraw/zinc/21/82/81/217218281.db2.gz KISYWTHTNKIPMG-AWEZNQCLSA-N 0 3 333.432 1.841 40 0 EDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393122 217218921 /nfs/dbraw/zinc/21/89/21/217218921.db2.gz QWPYQXKKZHBOJI-GOEBONIOSA-N 0 3 333.432 1.983 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427479 217223666 /nfs/dbraw/zinc/22/36/66/217223666.db2.gz ZKEHJKUFKTYOLP-KGLIPLIRSA-N 0 3 325.453 1.970 40 0 EDABHN O=C(c1cscn1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 ZINC000107193110 296298655 /nfs/dbraw/zinc/29/86/55/296298655.db2.gz UOIPRQQVXZXYBT-ZDUSSCGKSA-N 0 3 337.445 1.239 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)C2(CN)CN)cc1 ZINC000218450570 292186667 /nfs/dbraw/zinc/18/66/67/292186667.db2.gz UEQTWIRZQVPUCK-IRXDYDNUSA-N 0 3 348.443 1.978 40 0 EDABHN CNc1cc(C)nc([C@@H]2COCCN2C(=O)CN(C)C2CCCC2)n1 ZINC000257258480 277043037 /nfs/dbraw/zinc/04/30/37/277043037.db2.gz KUESXVBAECYTMT-HNNXBMFYSA-N 0 3 347.463 1.601 40 0 EDABHN CC(C)c1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013672677 441163667 /nfs/dbraw/zinc/16/36/67/441163667.db2.gz QHZQHSXSRCNQBO-UHFFFAOYSA-N 0 3 341.477 1.254 40 0 EDABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3cnn(C)c3)C2)C1 ZINC000108527615 441460271 /nfs/dbraw/zinc/46/02/71/441460271.db2.gz WYXHGDJEQTWLOP-UHFFFAOYSA-N 0 3 339.443 1.908 40 0 EDABHN Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000108532922 441462142 /nfs/dbraw/zinc/46/21/42/441462142.db2.gz CEQCDZXFRURICY-ZBFHGGJFSA-N 0 3 338.402 1.890 40 0 EDABHN CN1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 ZINC000030879047 441506562 /nfs/dbraw/zinc/50/65/62/441506562.db2.gz XOPUMZFLYPVYHA-BZSNNMDCSA-N 0 3 347.459 1.171 40 0 biogenic,in-vitro EDABHN O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096038792 441984991 /nfs/dbraw/zinc/98/49/91/441984991.db2.gz ITAUDTJVAZHBPK-IEBWSBKVSA-N 0 3 341.411 1.972 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC000096057167 442004202 /nfs/dbraw/zinc/00/42/02/442004202.db2.gz KFTRWEPSEKHNKG-NUJGCVRESA-N 0 3 347.459 1.902 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1F)CC[C@H]2OC ZINC000096108527 442033422 /nfs/dbraw/zinc/03/34/22/442033422.db2.gz LHCAHNPKCKGPLK-NWANDNLSSA-N 0 3 342.436 1.555 40 0 EDABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 ZINC000096110695 442036082 /nfs/dbraw/zinc/03/60/82/442036082.db2.gz ZPBMFJWMBZOQNU-MOPGFXCFSA-N 0 3 341.459 1.599 40 0 EDABHN Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cc1 ZINC000096160233 442050861 /nfs/dbraw/zinc/05/08/61/442050861.db2.gz HRCOIRBEOGWCBG-ICSRJNTNSA-N 0 3 346.471 1.876 40 0 EDABHN CN(C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]12 ZINC000096185249 442059509 /nfs/dbraw/zinc/05/95/09/442059509.db2.gz OEBDAHHDGDUSLF-UPJWGTAASA-N 0 3 330.475 1.335 40 0 EDABHN Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186297 442061950 /nfs/dbraw/zinc/06/19/50/442061950.db2.gz KTNDCKFBIONLRV-IRXDYDNUSA-N 0 3 345.443 1.889 40 0 EDABHN CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2cccs2)CC3)CC1 ZINC000096187419 442064037 /nfs/dbraw/zinc/06/40/37/442064037.db2.gz RAGIEXQKJSDMTI-UHFFFAOYSA-N 0 3 345.472 1.417 40 0 EDABHN Cc1ccc(CN2CC[C@H]3[C@@H](CC(=O)N4CCOCC4)OC[C@H]3C2)o1 ZINC000096205933 442079650 /nfs/dbraw/zinc/07/96/50/442079650.db2.gz YCKGVGWGSWOTTI-KBAYOESNSA-N 0 3 348.443 1.674 40 0 EDABHN CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 ZINC000096207663 442081189 /nfs/dbraw/zinc/08/11/89/442081189.db2.gz OEZCWSAIHWUIKL-UKRRQHHQSA-N 0 3 344.502 1.811 40 0 EDABHN CN(C)Cc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1 ZINC000257295325 443135988 /nfs/dbraw/zinc/13/59/88/443135988.db2.gz QXWPQWPKYSZVQL-OAHLLOKOSA-N 0 3 341.459 1.758 40 0 EDABHN Cn1c2ccc(CN3CCC4(CC3)OCCC[C@H]4O)cc2n(C)c1=O ZINC000257344350 443156711 /nfs/dbraw/zinc/15/67/11/443156711.db2.gz ZWVMEAHVZQERKB-QGZVFWFLSA-N 0 3 345.443 1.383 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(C)cc1 ZINC000242701718 443211888 /nfs/dbraw/zinc/21/18/88/443211888.db2.gz WLUYELGZVMMBFV-IIAWOOMASA-N 0 3 325.430 1.404 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306123754 444284521 /nfs/dbraw/zinc/28/45/21/444284521.db2.gz AVSCJEIGXWMWJL-LSDHHAIUSA-N 0 3 340.431 1.116 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306123751 444284541 /nfs/dbraw/zinc/28/45/41/444284541.db2.gz AVSCJEIGXWMWJL-CABCVRRESA-N 0 3 340.431 1.116 40 0 EDABHN CN(C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C)n3ccccc23)C1 ZINC000306131419 444286011 /nfs/dbraw/zinc/28/60/11/444286011.db2.gz KDWOQIDFHNRTGG-HOCLYGCPSA-N 0 3 341.459 1.877 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 ZINC000306132113 444286295 /nfs/dbraw/zinc/28/62/95/444286295.db2.gz KYTAAROAQZKJSM-KBPBESRZSA-N 0 3 340.431 1.116 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccc2)cc(-c2ccncc2)n1 ZINC000329066151 444463067 /nfs/dbraw/zinc/46/30/67/444463067.db2.gz XXQOXLIAUWYYHV-UHFFFAOYSA-N 0 3 348.454 1.968 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 ZINC000072367547 216174991 /nfs/dbraw/zinc/17/49/91/216174991.db2.gz WWXHOORKZXONPF-HNNXBMFYSA-N 0 3 335.433 1.705 40 0 EDABHN CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072383026 216184544 /nfs/dbraw/zinc/18/45/44/216184544.db2.gz SSIVPYAVSRQDJP-CYBMUJFWSA-N 0 3 326.404 1.459 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)CN)cc1 ZINC000218628054 241335681 /nfs/dbraw/zinc/33/56/81/241335681.db2.gz AXBGAARAMWESOR-ULQDDVLXSA-N 0 3 334.416 1.730 40 0 EDABHN CNCC(=O)N1CCC[C@@](CCCc2ccncc2)(C(=O)N(C)C)C1 ZINC000257227492 244203506 /nfs/dbraw/zinc/20/35/06/244203506.db2.gz FPOFLSGOYRLEPN-LJQANCHMSA-N 0 3 346.475 1.321 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(Br)c2)C1 ZINC000257257339 244283689 /nfs/dbraw/zinc/28/36/89/244283689.db2.gz KPCZPTWENZGBRN-CYBMUJFWSA-N 0 3 340.265 1.559 40 0 EDABHN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)C2(N)CCCC2)n1 ZINC000257330924 244549798 /nfs/dbraw/zinc/54/97/98/244549798.db2.gz XQPOGJFPYVZHBW-HNNXBMFYSA-N 0 3 331.420 1.048 40 0 EDABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)CC1 ZINC000019588341 212048358 /nfs/dbraw/zinc/04/83/58/212048358.db2.gz PSFNXNKHQROKDB-UHFFFAOYSA-N 0 3 337.427 1.879 40 0 EDABHN O=c1[n-]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000019401886 212025130 /nfs/dbraw/zinc/02/51/30/212025130.db2.gz ZKMPFNYMFIMWCP-UHFFFAOYSA-N 0 3 333.395 1.828 40 0 EDABHN O=c1[n-]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccccn1)CC2 ZINC000019401886 212025132 /nfs/dbraw/zinc/02/51/32/212025132.db2.gz ZKMPFNYMFIMWCP-UHFFFAOYSA-N 0 3 333.395 1.828 40 0 EDABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079412939 217222329 /nfs/dbraw/zinc/22/23/29/217222329.db2.gz YGIOWVCQSYASDA-GOEBONIOSA-N 0 3 333.432 1.982 40 0 EDABHN Fc1cnc(N2CCOC3(CCN(Cc4ccncc4)CC3)C2)nc1 ZINC000096049010 218539142 /nfs/dbraw/zinc/53/91/42/218539142.db2.gz PFTGWGWGGMICMJ-UHFFFAOYSA-N 0 3 343.406 1.882 40 0 EDABHN CCN1CC[C@@H](NCC2CC2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306132893 257921101 /nfs/dbraw/zinc/92/11/01/257921101.db2.gz LVJIJMMMLVLWAP-SJLPKXTDSA-N 0 3 334.464 1.122 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218514482 285955455 /nfs/dbraw/zinc/95/54/55/285955455.db2.gz SIPVHLNMZGRCOT-KCQAQPDRSA-N 0 3 345.848 1.749 40 0 EDABHN O=C(c1cncnc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257203869 275015469 /nfs/dbraw/zinc/01/54/69/275015469.db2.gz ARZMZZAVXAOFTF-IBGZPJMESA-N 0 3 338.411 1.112 40 0 EDABHN CN(C)[C@H]1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C1 ZINC000096264697 276796091 /nfs/dbraw/zinc/79/60/91/276796091.db2.gz KOVKTZSODOPFPS-LBPRGKRZSA-N 0 3 348.472 1.608 40 0 EDABHN Cc1cccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)n1 ZINC000096188972 281217980 /nfs/dbraw/zinc/21/79/80/281217980.db2.gz GRYTXTMKFQYFOI-QGZVFWFLSA-N 0 3 343.475 1.797 40 0 EDABHN O=S1(=O)CC[C@@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000012739557 441140249 /nfs/dbraw/zinc/14/02/49/441140249.db2.gz FZHKONYHLVEDDV-HLLBOEOZSA-N 0 3 339.457 1.218 40 0 EDABHN CCOc1ccc([C@H](N)c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095534266 441952187 /nfs/dbraw/zinc/95/21/87/441952187.db2.gz PQSNFOLSVDADNZ-HNNXBMFYSA-N 0 3 328.376 1.505 40 0 EDABHN O=C([C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1)N1CCOCC1 ZINC000096042940 441991855 /nfs/dbraw/zinc/99/18/55/441991855.db2.gz BPJPDJWTMLBFOA-GBESFXJTSA-N 0 3 344.455 1.567 40 0 EDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCCO1 ZINC000096040786 441987267 /nfs/dbraw/zinc/98/72/67/441987267.db2.gz YGDBDBAUFDAUJF-ZACQAIPSSA-N 0 3 331.416 1.330 40 0 EDABHN Fc1cnc(N2C[C@H](OCCN3CCCC3)[C@H]3OCCC[C@H]32)nc1 ZINC000096040934 441987878 /nfs/dbraw/zinc/98/78/78/441987878.db2.gz IMPDTYACBJYZHP-PMPSAXMXSA-N 0 3 336.411 1.464 40 0 EDABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000096081000 442023444 /nfs/dbraw/zinc/02/34/44/442023444.db2.gz UOAQMJWQXJKMET-KDURUIRLSA-N 0 3 336.439 2.000 40 0 EDABHN CCCS(=O)(=O)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 ZINC000096110864 442036205 /nfs/dbraw/zinc/03/62/05/442036205.db2.gz NVDCJMGJLQZKCI-HOTGVXAUSA-N 0 3 346.493 1.072 40 0 EDABHN Cn1nc(C(=O)N2CCC[C@@]3(C2)COCCN(C)C3)c2ccccc21 ZINC000096228719 442096334 /nfs/dbraw/zinc/09/63/34/442096334.db2.gz RFWVTSGCPIJNGN-LJQANCHMSA-N 0 3 342.443 1.758 40 0 EDABHN O=C(N1CCCC1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096197573 442072167 /nfs/dbraw/zinc/07/21/67/442072167.db2.gz LRQYSYYWIDKYBH-UHFFFAOYSA-N 0 3 345.447 1.261 40 0 EDABHN CN1[C@@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096208667 442082982 /nfs/dbraw/zinc/08/29/82/442082982.db2.gz JYPBYLSGIRMASO-OAHLLOKOSA-N 0 3 342.505 1.834 40 0 EDABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096245460 442102256 /nfs/dbraw/zinc/10/22/56/442102256.db2.gz RABHZDVKGUUOHM-HUUCEWRRSA-N 0 3 334.391 1.669 40 0 EDABHN Cc1cnc(C(=O)N2Cc3cncn3[C@H](CN3CCCCC3)C2)cn1 ZINC000306126563 444285013 /nfs/dbraw/zinc/28/50/13/444285013.db2.gz DYZAUXZRHVCVIP-MRXNPFEDSA-N 0 3 340.431 1.665 40 0 EDABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(C(=O)c3cnccn3)C2)C1 ZINC000306127035 444285368 /nfs/dbraw/zinc/28/53/68/444285368.db2.gz FMCVDVJWRZOHSI-INIZCTEOSA-N 0 3 344.459 1.830 40 0 EDABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108169 448689022 /nfs/dbraw/zinc/68/90/22/448689022.db2.gz JZCIGRWIWLVFGD-CJNGLKHVSA-N 0 3 326.412 1.612 40 0 EDABHN CC(=O)N1CCC(N2CC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585269498 448718183 /nfs/dbraw/zinc/71/81/83/448718183.db2.gz XCCAAWAOYCUGCI-LJQANCHMSA-N 0 3 332.444 1.822 40 0 EDABHN CS(=O)(=O)NCC[C@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000585095103 448677674 /nfs/dbraw/zinc/67/76/74/448677674.db2.gz FSRHOJFLCUIWKZ-AWEZNQCLSA-N 0 3 341.477 1.038 40 0 EDABHN CO[C@@H]1CCN(Cc2cccc(C)n2)C[C@H]1CC(=O)N1CCOCC1 ZINC000585278639 448726405 /nfs/dbraw/zinc/72/64/05/448726405.db2.gz UVWPDPGETUGESB-SJLPKXTDSA-N 0 3 347.459 1.476 40 0 EDABHN COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193578 536680097 /nfs/dbraw/zinc/68/00/97/536680097.db2.gz KDGARTSPQVYESW-FRRDWIJNSA-N 0 3 348.262 1.551 40 0 EDABHN CNCC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360918 216166834 /nfs/dbraw/zinc/16/68/34/216166834.db2.gz QYAACCMBILSHHZ-AWEZNQCLSA-N 0 3 326.404 1.807 40 0 EDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1 ZINC000257245397 244255743 /nfs/dbraw/zinc/25/57/43/244255743.db2.gz IPHNJBDMYXJNGN-BDXSIMOUSA-N 0 3 341.411 1.322 40 0 EDABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393190 217219341 /nfs/dbraw/zinc/21/93/41/217219341.db2.gz QIUUAXIZZLEWAW-BBRMVZONSA-N 0 3 331.416 1.736 40 0 EDABHN O=C(c1ccco1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059583 218551556 /nfs/dbraw/zinc/55/15/56/218551556.db2.gz FAZBXTHYCMZVLM-UHFFFAOYSA-N 0 3 342.399 1.478 40 0 EDABHN CNc1nccnc1[C@@H]1CN(C(=O)CN(C)C2CCCC2)CCO1 ZINC000257248644 277305978 /nfs/dbraw/zinc/30/59/78/277305978.db2.gz JEPJXALHCUIFSC-AWEZNQCLSA-N 0 3 333.436 1.293 40 0 EDABHN CCn1ncc(Br)c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000002764303 440875623 /nfs/dbraw/zinc/87/56/23/440875623.db2.gz YBCLOCJZXRXDQD-SNVBAGLBSA-N 0 3 327.226 1.586 40 0 EDABHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCC(N)=O ZINC000008326278 441089656 /nfs/dbraw/zinc/08/96/56/441089656.db2.gz LOGHKQAEVCAMSY-NSHDSACASA-N 0 3 330.812 1.463 40 0 EDABHN Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)ccc1Cl ZINC000061523948 441275639 /nfs/dbraw/zinc/27/56/39/441275639.db2.gz MXXDMRMHOQWUSL-UHFFFAOYSA-N 0 3 339.867 1.781 40 0 EDABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 ZINC000096036743 441983367 /nfs/dbraw/zinc/98/33/67/441983367.db2.gz GTWYCSDEUSYZFT-OAHLLOKOSA-N 0 3 344.415 1.421 40 0 EDABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)o1 ZINC000096061013 442007881 /nfs/dbraw/zinc/00/78/81/442007881.db2.gz CYCSETNZKRODQN-AWEZNQCLSA-N 0 3 328.376 1.269 40 0 EDABHN COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3cccs3)C[C@H]2C1 ZINC000096066001 442013593 /nfs/dbraw/zinc/01/35/93/442013593.db2.gz YFXJNYQABPABMF-FMKPAKJESA-N 0 3 338.473 1.738 40 0 EDABHN CN(C)CCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096074656 442019715 /nfs/dbraw/zinc/01/97/15/442019715.db2.gz WXJIQQLMURZWBT-UHFFFAOYSA-N 0 3 349.450 1.694 40 0 EDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1ccno1 ZINC000096108472 442033433 /nfs/dbraw/zinc/03/34/33/442033433.db2.gz GFSUKNXADXHGFU-CJNGLKHVSA-N 0 3 333.413 1.615 40 0 EDABHN Cc1noc([C@]23COC[C@H]2CN(Cc2ccc4c(c2)OCO4)C3)n1 ZINC000096110036 442034657 /nfs/dbraw/zinc/03/46/57/442034657.db2.gz YDRBSLBLGRWOCG-CXAGYDPISA-N 0 3 329.356 1.507 40 0 EDABHN Cn1cc(CN2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)cn1 ZINC000096219425 442090457 /nfs/dbraw/zinc/09/04/57/442090457.db2.gz FVLAHMBLTYWAMX-INIZCTEOSA-N 0 3 332.448 1.317 40 0 EDABHN COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096220291 442092107 /nfs/dbraw/zinc/09/21/07/442092107.db2.gz JNEPLFABZDTVNL-DOTOQJQBSA-N 0 3 338.473 1.584 40 0 EDABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)Cc1ccccc1)C2 ZINC000096201998 442077719 /nfs/dbraw/zinc/07/77/19/442077719.db2.gz VCHGHNRUGASXKE-IBGZPJMESA-N 0 3 332.444 1.426 40 0 EDABHN CC(C)C(=O)N[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096215357 442085548 /nfs/dbraw/zinc/08/55/48/442085548.db2.gz GLBQQOWTZGASPF-MRXNPFEDSA-N 0 3 334.464 1.563 40 0 EDABHN CCc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)no1 ZINC000257286711 443131268 /nfs/dbraw/zinc/13/12/68/443131268.db2.gz PMSBINOARIOJCW-HNNXBMFYSA-N 0 3 343.374 1.545 40 0 EDABHN NC(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2ccccn2)C1 ZINC000257289260 443132125 /nfs/dbraw/zinc/13/21/25/443132125.db2.gz PXUUHUOVLKQVMX-ZDUSSCGKSA-N 0 3 336.399 1.603 40 0 EDABHN Cc1ncoc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291691 443133735 /nfs/dbraw/zinc/13/37/35/443133735.db2.gz QIEVQPAYHPTOQL-HNNXBMFYSA-N 0 3 330.388 1.966 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 ZINC000257297528 443136307 /nfs/dbraw/zinc/13/63/07/443136307.db2.gz RHQXPIJDTCEXHP-QGZVFWFLSA-N 0 3 341.415 1.768 40 0 EDABHN O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000257303975 443139280 /nfs/dbraw/zinc/13/92/80/443139280.db2.gz SJOKHJYVVWVFIF-BZUAXINKSA-N 0 3 342.436 1.482 40 0 EDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306125620 444285323 /nfs/dbraw/zinc/28/53/23/444285323.db2.gz CVZXZEPLYIHNFI-STQMWFEESA-N 0 3 327.388 1.068 40 0 EDABHN Cc1nc(NCCO)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000328987672 444435360 /nfs/dbraw/zinc/43/53/60/444435360.db2.gz IDPMYICVYNJOGP-LBPRGKRZSA-N 0 3 328.416 1.805 40 0 EDABHN Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)n1 ZINC000585097282 448681069 /nfs/dbraw/zinc/68/10/69/448681069.db2.gz JOOUMRJFXKCVCR-CQSZACIVSA-N 0 3 344.419 1.014 40 0 EDABHN C[NH2+]CC(=O)N1CCCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000257247722 290637984 /nfs/dbraw/zinc/63/79/84/290637984.db2.gz JAEATIQKEFFKGH-ZDUSSCGKSA-N 0 3 327.392 1.283 40 0 EDABHN CN(C)CCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000004575537 210225336 /nfs/dbraw/zinc/22/53/36/210225336.db2.gz ZIULEJDBCUVBHS-GHRIWEEISA-N 0 3 338.411 1.530 40 0 EDABHN CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(c2cc(C)nc(N)n2)C1 ZINC000072388787 216189707 /nfs/dbraw/zinc/18/97/07/216189707.db2.gz FCVXTZRMONIRNP-MRXNPFEDSA-N 0 3 329.408 1.008 40 0 EDABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218096128 241297638 /nfs/dbraw/zinc/29/76/38/241297638.db2.gz ZOWPSFGVHIFVRO-IXDOHACOSA-N 0 3 332.425 1.291 40 0 EDABHN Cc1c(CN2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cnn1C ZINC000257209988 244146671 /nfs/dbraw/zinc/14/66/71/244146671.db2.gz BSRDCGFEMSOURR-HYVNUMGLSA-N 0 3 326.448 1.865 40 0 EDABHN CNc1nccnc1[C@H]1CN(C(=O)CN(C)C2CCCC2)CCO1 ZINC000257248645 244264223 /nfs/dbraw/zinc/26/42/23/244264223.db2.gz JEPJXALHCUIFSC-CQSZACIVSA-N 0 3 333.436 1.293 40 0 EDABHN CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCCN(CC(N)=O)C1 ZINC000257251123 244267598 /nfs/dbraw/zinc/26/75/98/244267598.db2.gz JPMAATBOSDPZRH-SFHVURJKSA-N 0 3 332.448 1.060 40 0 EDABHN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257260527 244347546 /nfs/dbraw/zinc/34/75/46/244347546.db2.gz LDGNKIYPWZDHFM-INIZCTEOSA-N 0 3 343.431 1.854 40 0 EDABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286368 212010669 /nfs/dbraw/zinc/01/06/69/212010669.db2.gz XOZKNKSRFKQQPL-KGLIPLIRSA-N 0 3 339.395 1.939 40 0 EDABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286368 212010673 /nfs/dbraw/zinc/01/06/73/212010673.db2.gz XOZKNKSRFKQQPL-KGLIPLIRSA-N 0 3 339.395 1.939 40 0 EDABHN Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)n1 ZINC000012366187 211357373 /nfs/dbraw/zinc/35/73/73/211357373.db2.gz VEFQAJLWMGOIEV-INIZCTEOSA-N 0 3 343.431 1.246 40 0 EDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1O ZINC000514288345 257846374 /nfs/dbraw/zinc/84/63/74/257846374.db2.gz AFJUQIPHKAORCU-YESZJQIVSA-N 0 3 336.432 1.285 40 0 biogenic,in-vitro EDABHN CCCCOCCOCCN(CCO)CCOCCOCCCC ZINC000005420225 440953692 /nfs/dbraw/zinc/95/36/92/440953692.db2.gz IVFPFYXSAOVNHG-UHFFFAOYSA-N 0 3 349.512 1.947 40 0 EDABHN CC(C)N1C[C@]2(CO[C@H](C(=O)NCCN(C)C)C2)c2ccccc21 ZINC000107275433 441406387 /nfs/dbraw/zinc/40/63/87/441406387.db2.gz WMXIOYAYYSNURR-PKOBYXMFSA-N 0 3 331.460 1.620 40 0 EDABHN O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000107191514 441402573 /nfs/dbraw/zinc/40/25/73/441402573.db2.gz UIVVIMRXKUMEGD-LPHOPBHVSA-N 0 3 329.444 1.933 40 0 EDABHN Cn1cc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 ZINC000108524442 441459771 /nfs/dbraw/zinc/45/97/71/441459771.db2.gz HUUAEHLBJVUFJV-UHFFFAOYSA-N 0 3 325.416 1.600 40 0 EDABHN O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 ZINC000096042871 441991812 /nfs/dbraw/zinc/99/18/12/441991812.db2.gz PZQOYWWVXXBUFP-RCCFBDPRSA-N 0 3 329.444 1.630 40 0 EDABHN O=S1(=O)NCC2(CCN(CC3CC3)CC2)COc2ccccc21 ZINC000096037121 441984287 /nfs/dbraw/zinc/98/42/87/441984287.db2.gz GMNLZTCJQMYEPX-UHFFFAOYSA-N 0 3 336.457 1.850 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 ZINC000096039543 441985400 /nfs/dbraw/zinc/98/54/00/441985400.db2.gz PPYXZJWCFPOWDQ-HKUYNNGSSA-N 0 3 349.475 1.615 40 0 EDABHN O=C([C@@H]1CO[C@@H]2CCN(Cc3cccnc3)C[C@@H]2C1)N1CCCO1 ZINC000096058173 442006320 /nfs/dbraw/zinc/00/63/20/442006320.db2.gz FJRSRZIYHNTEBK-YESZJQIVSA-N 0 3 331.416 1.473 40 0 EDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 ZINC000096108866 442033360 /nfs/dbraw/zinc/03/33/60/442033360.db2.gz ASSGWMKXUOVJCO-QZTJIDSGSA-N 0 3 328.416 1.480 40 0 EDABHN CN(C)CCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2 ZINC000096228045 442096250 /nfs/dbraw/zinc/09/62/50/442096250.db2.gz LMXLSIHHNJIVLP-UHFFFAOYSA-N 0 3 330.432 1.240 40 0 EDABHN O=C(NCCN1CCCC1)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096225571 442094080 /nfs/dbraw/zinc/09/40/80/442094080.db2.gz FIUHZTOPLARMTB-GOSISDBHSA-N 0 3 346.431 1.212 40 0 EDABHN Cc1ccccc1C(=O)N1C[C@H](OCCN(C)C)[C@H]2OCCC[C@H]21 ZINC000096187027 442064575 /nfs/dbraw/zinc/06/45/75/442064575.db2.gz WBYOJAMDAKWPHV-SQNIBIBYSA-N 0 3 332.444 1.945 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2)N1CCOCC1 ZINC000096205967 442079595 /nfs/dbraw/zinc/07/95/95/442079595.db2.gz ZDGKRVPFDKVINU-APWZRJJASA-N 0 3 348.418 1.523 40 0 EDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096207461 442081807 /nfs/dbraw/zinc/08/18/07/442081807.db2.gz AUOPSLWWKHKSKL-CQSZACIVSA-N 0 3 332.400 1.390 40 0 EDABHN CC(C)CN1c2ccccc2[C@@]2(C[C@@H]2C(=O)NCCN(C)C)C1=O ZINC000096243463 442099996 /nfs/dbraw/zinc/09/99/96/442099996.db2.gz GBNBIGZWGQKBBX-DNVCBOLYSA-N 0 3 329.444 1.625 40 0 EDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000248039734 442878291 /nfs/dbraw/zinc/87/82/91/442878291.db2.gz NUFJAVPSRDKKEY-WMZOPIPTSA-N 0 3 332.448 1.271 40 0 EDABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 ZINC000242495740 443211391 /nfs/dbraw/zinc/21/13/91/443211391.db2.gz GPAMHLUBMHNDQF-KURKYZTESA-N 0 3 330.453 1.899 40 0 EDABHN Cc1ccc(NC(=S)NCCN[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420848 447857692 /nfs/dbraw/zinc/85/76/92/447857692.db2.gz KOPVXQYFRMXUOA-HNNXBMFYSA-N 0 3 341.502 1.448 40 0 EDABHN Cc1ccnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)c1 ZINC000585094622 448677814 /nfs/dbraw/zinc/67/78/14/448677814.db2.gz FTJRWRIAJQWBGD-OAHLLOKOSA-N 0 3 339.443 1.786 40 0 EDABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 ZINC000585097512 448682921 /nfs/dbraw/zinc/68/29/21/448682921.db2.gz MNUHZKJQRHEJJU-CQSZACIVSA-N 0 3 329.404 1.690 40 0 EDABHN CCOc1ccc(CN2C[C@@H](CC(=O)NC)[C@@H](OC)C2)cc1CO ZINC000585279211 448727937 /nfs/dbraw/zinc/72/79/37/448727937.db2.gz VGKAIORUUDRWTJ-PBHICJAKSA-N 0 3 336.432 1.161 40 0 EDABHN O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@@H]21 ZINC000097953872 219064797 /nfs/dbraw/zinc/06/47/97/219064797.db2.gz URPOFAOORUQQCR-BZUAXINKSA-N 0 3 342.399 1.935 40 0 EDABHN Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072360875 216166801 /nfs/dbraw/zinc/16/68/01/216166801.db2.gz QFJNXGPUYPCMSC-ZDUSSCGKSA-N 0 3 326.404 1.588 40 0 EDABHN CNCC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360901 216167793 /nfs/dbraw/zinc/16/77/93/216167793.db2.gz CIOBILFLYBKSTK-ZDUSSCGKSA-N 0 3 326.404 1.541 40 0 EDABHN COc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC000107746747 219805309 /nfs/dbraw/zinc/80/53/09/219805309.db2.gz ARRYSNRQDNUHPZ-AEFFLSMTSA-N 0 3 340.427 1.823 40 0 EDABHN Cc1cc(N2CCC[C@](C)(c3n[nH]cc3C(=O)N(C)C)C2)nc(N)n1 ZINC000072388790 216189080 /nfs/dbraw/zinc/18/90/80/216189080.db2.gz QUTPDDOKDFRDDQ-KRWDZBQOSA-N 0 3 343.435 1.350 40 0 EDABHN CC(C)CC(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391624 216191208 /nfs/dbraw/zinc/19/12/08/216191208.db2.gz UBSYZGSHNZCFRG-CYBMUJFWSA-N 0 3 330.436 1.408 40 0 EDABHN NC[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218504653 241327749 /nfs/dbraw/zinc/32/77/49/241327749.db2.gz DSLGTRKEFZYQDB-YESZJQIVSA-N 0 3 335.400 1.703 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccnc(C)n2)c1 ZINC000257209668 244146148 /nfs/dbraw/zinc/14/61/48/244146148.db2.gz BRJYKYBATQWVHA-KRWDZBQOSA-N 0 3 325.416 1.291 40 0 EDABHN Cc1noc(C)c1-c1cc(C2CCN(C(=O)CN)CC2)nc(C)n1 ZINC000257240777 244242687 /nfs/dbraw/zinc/24/26/87/244242687.db2.gz HVEDNSFZYWIXNM-UHFFFAOYSA-N 0 3 329.404 1.722 40 0 EDABHN O=C(Cc1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257248618 244263482 /nfs/dbraw/zinc/26/34/82/244263482.db2.gz JEMAGBRZFNUXLV-HNNXBMFYSA-N 0 3 344.427 1.985 40 0 EDABHN O=C(C1CC1)N1CCC(c2nc([C@@H]3CCC[NH2+]C3)cc(=O)[n-]2)CC1 ZINC000019291967 212012128 /nfs/dbraw/zinc/01/21/28/212012128.db2.gz QWJUGBLBBRCXLO-CQSZACIVSA-N 0 3 330.432 1.353 40 0 EDABHN O=C(c1ccoc1)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1 ZINC000096249370 296276367 /nfs/dbraw/zinc/27/63/67/296276367.db2.gz NARFXCAGVUEGMS-ROUUACIJSA-N 0 3 347.459 1.681 40 0 EDABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1 ZINC000019590461 277189047 /nfs/dbraw/zinc/18/90/47/277189047.db2.gz UFMLVQPODXAZTN-AWEZNQCLSA-N 0 3 337.427 1.879 40 0 EDABHN CNCc1cc(NC)nc([C@H]2CCCN2C(=O)Cc2ccccn2)n1 ZINC000019760378 441260072 /nfs/dbraw/zinc/26/00/72/441260072.db2.gz DKSUFDFTWKGGPW-OAHLLOKOSA-N 0 3 340.431 1.539 40 0 EDABHN O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@H]3CCOC3)C2)C1 ZINC000107232077 441404733 /nfs/dbraw/zinc/40/47/33/441404733.db2.gz ZGWPTGIBBKPYNH-CXAGYDPISA-N 0 3 330.388 1.277 40 0 EDABHN Cn1cc(CN2CCC3(CC(NC(=O)c4ccnnc4)C3)CC2)cn1 ZINC000108532385 441460895 /nfs/dbraw/zinc/46/08/95/441460895.db2.gz YXYKHOAEUCBGQE-UHFFFAOYSA-N 0 3 340.431 1.385 40 0 EDABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)CC1 ZINC000067897070 441694104 /nfs/dbraw/zinc/69/41/04/441694104.db2.gz LUEFDERFXSOCNN-MSOLQXFVSA-N 0 3 343.427 1.114 40 0 biogenic,in-vitro EDABHN O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096047080 441995105 /nfs/dbraw/zinc/99/51/05/441995105.db2.gz AEHRIOUSUINCHO-IBGZPJMESA-N 0 3 337.427 2.000 40 0 EDABHN Cn1cc(CN2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)cn1 ZINC000096048698 441997000 /nfs/dbraw/zinc/99/70/00/441997000.db2.gz VLYMXBCAYPVIPG-KRWDZBQOSA-N 0 3 326.404 1.229 40 0 EDABHN c1coc(CN2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)c1 ZINC000096049494 441997744 /nfs/dbraw/zinc/99/77/44/441997744.db2.gz OQHBSEDUPYUPQC-KRWDZBQOSA-N 0 3 331.420 1.512 40 0 EDABHN Cc1cccc(C(=O)N2CCO[C@H]3[C@H](OCCN(C)C)CC[C@@H]32)n1 ZINC000096041491 441987808 /nfs/dbraw/zinc/98/78/08/441987808.db2.gz BOBBTJDPJHAHTI-GVDBMIGSSA-N 0 3 333.432 1.340 40 0 EDABHN CCOCC(=O)N1Cc2nccn2C[C@H](CN(C)Cc2ccco2)C1 ZINC000096067130 442016655 /nfs/dbraw/zinc/01/66/55/442016655.db2.gz BZMZIEBHLREHST-HNNXBMFYSA-N 0 3 346.431 1.603 40 0 EDABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4cccnc4)C3)C2=O)cn1 ZINC000096224631 442092422 /nfs/dbraw/zinc/09/24/22/442092422.db2.gz ULGWZYRDBJIIEE-GOSISDBHSA-N 0 3 325.416 1.834 40 0 EDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21)c1ccno1 ZINC000096185489 442059912 /nfs/dbraw/zinc/05/99/12/442059912.db2.gz IKLJIUKZGYIPQK-DUVNUKRYSA-N 0 3 331.372 1.535 40 0 EDABHN CN(C)CCOCc1cncc2c1CCN(C(=O)[C@H]1CCCO1)C2 ZINC000096189353 442067102 /nfs/dbraw/zinc/06/71/02/442067102.db2.gz XOMTZYAQMRUFME-QGZVFWFLSA-N 0 3 333.432 1.224 40 0 EDABHN Cn1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)cn1 ZINC000096196881 442070623 /nfs/dbraw/zinc/07/06/23/442070623.db2.gz YEQDFOQPTNKBTB-UHFFFAOYSA-N 0 3 328.464 1.661 40 0 EDABHN Cc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)s1 ZINC000096196986 442071083 /nfs/dbraw/zinc/07/10/83/442071083.db2.gz JYFSLEHITXNJRR-UHFFFAOYSA-N 0 3 328.445 1.951 40 0 EDABHN O=C([C@@H]1CCCO1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096202156 442077476 /nfs/dbraw/zinc/07/74/76/442077476.db2.gz QHRFWIMKLXQDEJ-WMZOPIPTSA-N 0 3 334.416 1.510 40 0 EDABHN CN(C)C(=O)CO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000096206978 442080501 /nfs/dbraw/zinc/08/05/01/442080501.db2.gz ZZABWWQJYGXIOK-RDJZCZTQSA-N 0 3 338.473 1.976 40 0 EDABHN O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1ccoc1)C2 ZINC000096215141 442085923 /nfs/dbraw/zinc/08/59/23/442085923.db2.gz HOSWFQOHNKCBRW-CRAIPNDOSA-N 0 3 327.384 1.692 40 0 EDABHN CC(C)(C)OC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C[C@H]1O ZINC000265540632 442816355 /nfs/dbraw/zinc/81/63/55/442816355.db2.gz KPKXBGLKFPRIOJ-QAPCUYQASA-N 0 3 336.432 1.509 40 0 EDABHN c1cc(CN2CCOC[C@]3(CN(C[C@H]4CCOC4)CCO3)C2)ccn1 ZINC000247835795 442869499 /nfs/dbraw/zinc/86/94/99/442869499.db2.gz NIZUIXPMYNVJKN-RTBURBONSA-N 0 3 347.459 1.021 40 0 EDABHN Cc1nc(CO[C@@H]2CO[C@@]3(C2)CCCN(C[C@H](C)O)C3)cs1 ZINC000248032689 442878069 /nfs/dbraw/zinc/87/80/69/442878069.db2.gz MLTMFYUSEWZAMG-VBNZEHGJSA-N 0 3 326.462 1.972 40 0 EDABHN Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257241348 443126117 /nfs/dbraw/zinc/12/61/17/443126117.db2.gz HXSWBGGTKMTNIH-IAGOWNOFSA-N 0 3 328.416 1.012 40 0 EDABHN COCCN1C[C@@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585104424 448687098 /nfs/dbraw/zinc/68/70/98/448687098.db2.gz MZFKRZPBZATHBV-LPHOPBHVSA-N 0 3 332.444 1.945 40 0 EDABHN Cc1ccccc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC000585108505 448688901 /nfs/dbraw/zinc/68/89/01/448688901.db2.gz XZOZWEWQBGQPOW-IAGOWNOFSA-N 0 3 329.444 1.762 40 0 EDABHN CN1CCC(C)(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585276675 448723054 /nfs/dbraw/zinc/72/30/54/448723054.db2.gz OVUGZNYVBHQUBK-IBGZPJMESA-N 0 3 332.444 1.761 40 0 EDABHN COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585097014 448680845 /nfs/dbraw/zinc/68/08/45/448680845.db2.gz GOEOVGHNJPEEFX-ZDUSSCGKSA-N 0 3 329.404 1.263 40 0 EDABHN Cc1ccc(-c2nsc([N-]C(=O)c3cn(CC[NH3+])nn3)n2)s1 ZINC000662546488 453276246 /nfs/dbraw/zinc/27/62/46/453276246.db2.gz KCOJZEFLOZVBQM-UHFFFAOYSA-N 0 3 335.418 1.378 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218579902 486155002 /nfs/dbraw/zinc/15/50/02/486155002.db2.gz PACMMUHJVBRHGH-VNHYZAJKSA-N 0 3 329.393 1.234 40 0 EDABHN c1ccc(-c2cc(CNC[C@@H]3COCCO3)c3nnnn3c2)cc1 ZINC000019374024 534479177 /nfs/dbraw/zinc/47/91/77/534479177.db2.gz LWNQDOGZJPQXDQ-MRXNPFEDSA-N 0 3 325.372 1.296 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218541326 535596545 /nfs/dbraw/zinc/59/65/45/535596545.db2.gz TWOORSUUPMNTET-ZOBUZTSGSA-N 0 3 339.457 1.658 40 0 EDABHN COc1cccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCO3)C2)c1 ZINC000097953654 219065277 /nfs/dbraw/zinc/06/52/77/219065277.db2.gz ZSHBMCLHPZNJLL-OKZBNKHCSA-N 0 3 346.427 1.696 40 0 EDABHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCOCC3)C2=O)cc1 ZINC000100237988 219095190 /nfs/dbraw/zinc/09/51/90/219095190.db2.gz MFMUCENLPBWLGP-HNNXBMFYSA-N 0 3 346.383 1.264 40 0 EDABHN CN(C)CCCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100217134 219095213 /nfs/dbraw/zinc/09/52/13/219095213.db2.gz GHJVQEULJIRVQR-SUNYJGFJSA-N 0 3 329.400 1.142 40 0 EDABHN Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 ZINC000072367549 216175090 /nfs/dbraw/zinc/17/50/90/216175090.db2.gz RMQFGDSKXKFVGW-HNNXBMFYSA-N 0 3 349.460 1.715 40 0 EDABHN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)CN)n2)n1 ZINC000072382977 216183542 /nfs/dbraw/zinc/18/35/42/216183542.db2.gz FKVFRWUEKIWQGN-CYBMUJFWSA-N 0 3 327.392 1.249 40 0 EDABHN Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000072382988 216184396 /nfs/dbraw/zinc/18/43/96/216184396.db2.gz OOGRSIVPSFQHGP-ZDUSSCGKSA-N 0 3 326.404 1.507 40 0 EDABHN CN(C)CCn1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 ZINC000072391684 216190680 /nfs/dbraw/zinc/19/06/80/216190680.db2.gz PPVXZDVVQPUDAT-ZDUSSCGKSA-N 0 3 344.463 1.750 40 0 EDABHN NCC1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218454025 241323468 /nfs/dbraw/zinc/32/34/68/241323468.db2.gz IEPPVTRWAMIYKW-JKSUJKDBSA-N 0 3 334.416 1.669 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cnn(C)c2C)c1 ZINC000257217687 244173977 /nfs/dbraw/zinc/17/39/77/244173977.db2.gz DADDLKVACJYAAS-KRWDZBQOSA-N 0 3 327.432 1.235 40 0 EDABHN Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257231744 244216567 /nfs/dbraw/zinc/21/65/67/244216567.db2.gz GIAJVDMGKPLEAA-KRWDZBQOSA-N 0 3 343.431 1.712 40 0 EDABHN Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cc(CN)cn2)n1 ZINC000257255271 244279216 /nfs/dbraw/zinc/27/92/16/244279216.db2.gz KGVVMYBLPDSFPM-UHFFFAOYSA-N 0 3 338.415 1.574 40 0 EDABHN O=C(Cc1cccnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257256609 244284099 /nfs/dbraw/zinc/28/40/99/244284099.db2.gz KMFGIFIMYWWEDR-MRXNPFEDSA-N 0 3 339.386 1.319 40 0 EDABHN COC[C@@H](O)CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019593045 212050425 /nfs/dbraw/zinc/05/04/25/212050425.db2.gz IZKSTZYVPZSGAC-KRWDZBQOSA-N 0 3 338.879 1.997 40 0 EDABHN O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292205 212011267 /nfs/dbraw/zinc/01/12/67/212011267.db2.gz BCASGFXUQBYAPV-HNNXBMFYSA-N 0 3 339.399 1.965 40 0 EDABHN NCC(=O)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392984 217218329 /nfs/dbraw/zinc/21/83/29/217218329.db2.gz IKPIEFGATXSBOC-INIZCTEOSA-N 0 3 331.416 1.737 40 0 EDABHN O=CN1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000039773561 257854806 /nfs/dbraw/zinc/85/48/06/257854806.db2.gz RCXTUWCJCGNBPJ-UHFFFAOYSA-N 0 3 333.407 1.338 40 0 EDABHN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096243543 273953201 /nfs/dbraw/zinc/95/32/01/273953201.db2.gz WUOXWBSUYFUIIA-AWEZNQCLSA-N 0 3 346.456 1.581 40 0 EDABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccsc3)CC2)C1 ZINC000108525398 277499658 /nfs/dbraw/zinc/49/96/58/277499658.db2.gz ZDXYCYMVMGFRRK-AWEZNQCLSA-N 0 3 344.502 1.811 40 0 EDABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008297973 441088246 /nfs/dbraw/zinc/08/82/46/441088246.db2.gz QXEXZUYMERZOBX-KFWWJZLASA-N 0 3 333.480 1.811 40 0 biogenic,in-vitro EDABHN c1ccc(-c2cc(CNCCc3cnccn3)c3nnnn3c2)cc1 ZINC000019374031 441256807 /nfs/dbraw/zinc/25/68/07/441256807.db2.gz RKCINQKWVOUJAQ-UHFFFAOYSA-N 0 3 331.383 1.914 40 0 EDABHN Cc1ncc(CN2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)[nH]1 ZINC000108524927 441459449 /nfs/dbraw/zinc/45/94/49/441459449.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 0 3 328.420 1.236 40 0 EDABHN CN1CCN([C@H]2COC3(C2)CCN(Cc2ccccn2)CC3)CC1 ZINC000096048850 441996435 /nfs/dbraw/zinc/99/64/35/441996435.db2.gz WPTBVUHIVXIKFW-GOSISDBHSA-N 0 3 330.476 1.453 40 0 EDABHN O=C(c1ccno1)N1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 ZINC000096186706 442063300 /nfs/dbraw/zinc/06/33/00/442063300.db2.gz OSHQIIIQTMFWIU-PMPSAXMXSA-N 0 3 349.431 1.549 40 0 EDABHN Cn1cc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)cn1 ZINC000096202121 442077744 /nfs/dbraw/zinc/07/77/44/442077744.db2.gz DOUOAPKCWLHFMH-SFHVURJKSA-N 0 3 330.432 1.738 40 0 EDABHN CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1cccn1C)CC2 ZINC000096228095 442096464 /nfs/dbraw/zinc/09/64/64/442096464.db2.gz IPYBCBGVVDRXKY-UHFFFAOYSA-N 0 3 332.448 1.070 40 0 EDABHN CC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261551 442108849 /nfs/dbraw/zinc/10/88/49/442108849.db2.gz NUUPGOHYUFHJRU-RVKKMQEKSA-N 0 3 334.464 1.072 40 0 EDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000248038522 442878428 /nfs/dbraw/zinc/87/84/28/442878428.db2.gz NMRSWRZHMXFVHL-AEFFLSMTSA-N 0 3 332.448 1.966 40 0 EDABHN CN(C)C(=O)CO[C@@H]1CSC2(CN(CC3CCOCC3)C2)C1 ZINC000248053465 442879219 /nfs/dbraw/zinc/87/92/19/442879219.db2.gz XWHKSJYQWWJAOA-AWEZNQCLSA-N 0 3 328.478 1.078 40 0 EDABHN Cc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cn1 ZINC000257287525 443132540 /nfs/dbraw/zinc/13/25/40/443132540.db2.gz PQIWPUPKJDMGSS-INIZCTEOSA-N 0 3 339.386 1.698 40 0 EDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)CN ZINC000242548463 443211261 /nfs/dbraw/zinc/21/12/61/443211261.db2.gz LMFHWQNFCAIFMR-IJLUTSLNSA-N 0 3 333.251 1.006 40 0 EDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]21 ZINC000306139013 444287286 /nfs/dbraw/zinc/28/72/86/444287286.db2.gz SNDKCIVLSRPLSL-ZFWWWQNUSA-N 0 3 342.399 1.027 40 0 EDABHN CCNc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1 ZINC000328961013 444424103 /nfs/dbraw/zinc/42/41/03/444424103.db2.gz AZZPWXNITIHJPM-UHFFFAOYSA-N 0 3 340.475 1.079 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 ZINC000514288595 448160097 /nfs/dbraw/zinc/16/00/97/448160097.db2.gz DBAVUADTHZHUSW-LSDHHAIUSA-N 0 3 336.505 1.104 40 0 biogenic,in-vitro EDABHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514288825 448160733 /nfs/dbraw/zinc/16/07/33/448160733.db2.gz FVSCHWJPKFLHNI-VQTJNVASSA-N 0 3 341.499 1.587 40 0 biogenic,in-vitro EDABHN CC(C)CN1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290245 448162338 /nfs/dbraw/zinc/16/23/38/448162338.db2.gz VLZIZAQGPMKOEA-WOJBJXKFSA-N 0 3 343.515 1.690 40 0 biogenic,in-vitro EDABHN CCc1ccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC000585295269 448737551 /nfs/dbraw/zinc/73/75/51/448737551.db2.gz SGLBIWKTQCZPCF-JSXRDJHFSA-N 0 3 341.451 1.759 40 0 EDABHN COc1ccc(F)cc1C(=O)NCc1c[nH]c([C@H]2CCN(C)C2)n1 ZINC000257216472 536616487 /nfs/dbraw/zinc/61/64/87/536616487.db2.gz CUPZNCBJKYQYDG-NSHDSACASA-N 0 3 332.379 1.907 40 0 EDABHN O=C(c1nccc2ccccc21)N1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373971 216177164 /nfs/dbraw/zinc/17/71/64/216177164.db2.gz APXGQQXQUQPBSJ-OAHLLOKOSA-N 0 3 348.410 1.907 40 0 EDABHN CN1CC[C@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 ZINC000072391651 216191337 /nfs/dbraw/zinc/19/13/37/216191337.db2.gz DRCDSYJADBWKSW-ZDUSSCGKSA-N 0 3 344.463 1.798 40 0 EDABHN CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218085450 241296588 /nfs/dbraw/zinc/29/65/88/241296588.db2.gz JRWUAKGYPKIFDE-HRCADAONSA-N 0 3 327.446 1.577 40 0 EDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218096296 241298571 /nfs/dbraw/zinc/29/85/71/241298571.db2.gz ZOWPSFGVHIFVRO-BRWVUGGUSA-N 0 3 332.425 1.291 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218204618 241305460 /nfs/dbraw/zinc/30/54/60/241305460.db2.gz LMFHWQNFCAIFMR-WOPDTQHZSA-N 0 3 333.251 1.006 40 0 EDABHN Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)CN)C2)ccc1CO ZINC000257206167 244134078 /nfs/dbraw/zinc/13/40/78/244134078.db2.gz BCDPSHNYGULYJK-ZDUSSCGKSA-N 0 3 344.415 1.510 40 0 EDABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1F ZINC000020108397 212101405 /nfs/dbraw/zinc/10/14/05/212101405.db2.gz AHLCSOYAWHXSLX-UHFFFAOYSA-N 0 3 330.425 1.989 40 0 EDABHN O=C(c1ccncc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257270615 244377009 /nfs/dbraw/zinc/37/70/09/244377009.db2.gz MUYJBFMLWFVZSQ-FQEVSTJZSA-N 0 3 337.423 1.717 40 0 EDABHN Cc1noc(C)c1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019579822 212046796 /nfs/dbraw/zinc/04/67/96/212046796.db2.gz XQXXTBNKVZCCEQ-CYBMUJFWSA-N 0 3 341.415 1.699 40 0 EDABHN NCC(=O)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393000 217218455 /nfs/dbraw/zinc/21/84/55/217218455.db2.gz WFUMRLFJPYLNPZ-INIZCTEOSA-N 0 3 345.443 1.985 40 0 EDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393089 217218939 /nfs/dbraw/zinc/21/89/39/217218939.db2.gz ICNTTYVCJLHXQJ-GOEBONIOSA-N 0 3 333.432 1.983 40 0 EDABHN CN(C)CCN1CCc2c(nnn2C)[C@@H]1COCc1ccccc1 ZINC000096045324 218530741 /nfs/dbraw/zinc/53/07/41/218530741.db2.gz DLMMIFWPYFLURH-KRWDZBQOSA-N 0 3 329.448 1.493 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466113 285955418 /nfs/dbraw/zinc/95/54/18/285955418.db2.gz VNHCISAJECAVFL-SGMGOOAPSA-N 0 3 331.821 1.359 40 0 EDABHN COCCN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 ZINC000096079596 277227863 /nfs/dbraw/zinc/22/78/63/277227863.db2.gz LGDZCEXADHQZHU-UHFFFAOYSA-N 0 3 345.487 1.570 40 0 EDABHN COCCN1Cc2ccccc2C2(CCN(C(=O)COC)CC2)C1 ZINC000096079531 277227892 /nfs/dbraw/zinc/22/78/92/277227892.db2.gz HXPYCIBDISFXOA-UHFFFAOYSA-N 0 3 332.444 1.655 40 0 EDABHN CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019460469 281399658 /nfs/dbraw/zinc/39/96/58/281399658.db2.gz DMAPTFUBGTZCKK-GXTWGEPZSA-N 0 3 344.415 1.128 40 0 EDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccnc2)C1 ZINC000096044191 289170881 /nfs/dbraw/zinc/17/08/81/289170881.db2.gz STODFCHLRPXYRV-HNNXBMFYSA-N 0 3 343.431 1.129 40 0 EDABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253919 441087140 /nfs/dbraw/zinc/08/71/40/441087140.db2.gz DQPPQAAUUJYYLY-KFWWJZLASA-N 0 3 340.431 1.139 40 0 biogenic,in-vitro EDABHN COc1ccccc1CN1C[C@H](C(=O)NC2CCC2)[C@H]2OCC[C@H]21 ZINC000108529329 441460569 /nfs/dbraw/zinc/46/05/69/441460569.db2.gz QDLISHBPLLVKGO-LZLYRXPVSA-N 0 3 330.428 1.953 40 0 EDABHN COc1c2c(cc3c1CN1C[C@H](O)[C@]34C=C[C@@H](OC)C[C@H]14)OCO2 ZINC000036385211 441607408 /nfs/dbraw/zinc/60/74/08/441607408.db2.gz QAHZAHIPKNLGAS-OEAXYECKSA-N 0 3 331.368 1.195 40 0 EDABHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000096054136 442001097 /nfs/dbraw/zinc/00/10/97/442001097.db2.gz OGQDGDRWXUZTMC-ZIAGYGMSSA-N 0 3 329.491 1.308 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039565 441985488 /nfs/dbraw/zinc/98/54/88/441985488.db2.gz RDAGUBQWWHPTKJ-IEBWSBKVSA-N 0 3 336.476 1.929 40 0 EDABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096038772 441985796 /nfs/dbraw/zinc/98/57/96/441985796.db2.gz OKSRGILEXGCZPA-IEBWSBKVSA-N 0 3 325.412 1.962 40 0 EDABHN O=c1ccc2c(n1Cc1ccncc1)CCN([C@@H]1CCOC1)CC2 ZINC000096067800 442015459 /nfs/dbraw/zinc/01/54/59/442015459.db2.gz XXNWKXYXOKSXGG-QGZVFWFLSA-N 0 3 325.412 1.481 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccsc1)CCC2 ZINC000096084343 442024136 /nfs/dbraw/zinc/02/41/36/442024136.db2.gz FDSRVQYYEOYAKK-UHFFFAOYSA-N 0 3 349.460 1.464 40 0 EDABHN Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)cn1 ZINC000096185312 442059271 /nfs/dbraw/zinc/05/92/71/442059271.db2.gz MVOJKVZZKZJXQW-INMHGKMJSA-N 0 3 344.415 1.280 40 0 EDABHN CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000096185644 442059313 /nfs/dbraw/zinc/05/93/13/442059313.db2.gz IEJXCKBSWAWULG-IKGGRYGDSA-N 0 3 329.404 1.383 40 0 EDABHN CN(C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3cccs3)C[C@@H]21 ZINC000096185398 442059663 /nfs/dbraw/zinc/05/96/63/442059663.db2.gz NTSDECKQZPHGDN-RWMBFGLXSA-N 0 3 330.475 1.335 40 0 EDABHN c1csc(CNC[C@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 ZINC000096199262 442072798 /nfs/dbraw/zinc/07/27/98/442072798.db2.gz USHDFPCFVKGNNJ-LBPRGKRZSA-N 0 3 328.401 1.485 40 0 EDABHN Cc1cccc(CN2CC3(CCN([C@@H]4CCOC4)CC3)OCC2=O)n1 ZINC000096201461 442076530 /nfs/dbraw/zinc/07/65/30/442076530.db2.gz IRVGPVZRPXRZKZ-QGZVFWFLSA-N 0 3 345.443 1.372 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccccc1F)C2)N1CCOCC1 ZINC000096205964 442079601 /nfs/dbraw/zinc/07/96/01/442079601.db2.gz IBNCXARFIYWBSM-APWZRJJASA-N 0 3 348.418 1.523 40 0 EDABHN CC(C)CN1CCN(C)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000096230260 442096985 /nfs/dbraw/zinc/09/69/85/442096985.db2.gz BULCOMGJGBNZNG-UHFFFAOYSA-N 0 3 330.476 1.846 40 0 EDABHN Cc1ccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)o1 ZINC000096255673 442105847 /nfs/dbraw/zinc/10/58/47/442105847.db2.gz XQUYHTZQDXJVHE-UHFFFAOYSA-N 0 3 341.459 1.731 40 0 EDABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C ZINC000223276239 443087240 /nfs/dbraw/zinc/08/72/40/443087240.db2.gz LJHXVVIVDGVPLK-HZPDHXFCSA-N 0 3 329.473 1.954 40 0 EDABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218095067 443057990 /nfs/dbraw/zinc/05/79/90/443057990.db2.gz KSJLTGNDNCCQGM-SJORKVTESA-N 0 3 346.452 1.539 40 0 EDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257301199 443138015 /nfs/dbraw/zinc/13/80/15/443138015.db2.gz RXJUBVMBKVWSKH-QGZVFWFLSA-N 0 3 341.459 1.529 40 0 EDABHN CNc1cc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000257252671 443125445 /nfs/dbraw/zinc/12/54/45/443125445.db2.gz JVQQXPPRENIQBN-OAHLLOKOSA-N 0 3 338.477 1.684 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccncc2)C1 ZINC000257252199 443125945 /nfs/dbraw/zinc/12/59/45/443125945.db2.gz JTWYLHDDZLTOHR-LJQANCHMSA-N 0 3 343.402 1.930 40 0 EDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306133786 444286336 /nfs/dbraw/zinc/28/63/36/444286336.db2.gz MWCHFFIDGHIAAA-UHFFFAOYSA-N 0 3 345.472 1.928 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccc2)cc(-c2cccnc2)n1 ZINC000329021253 444447930 /nfs/dbraw/zinc/44/79/30/444447930.db2.gz OFJGLHNJEMDULB-UHFFFAOYSA-N 0 3 348.454 1.968 40 0 EDABHN Cc1nc(NCCO)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329069999 444464173 /nfs/dbraw/zinc/46/41/73/444464173.db2.gz ZCHFFVUQIRWBIR-UHFFFAOYSA-N 0 3 342.443 1.979 40 0 EDABHN CN1CCC(C)(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585276684 448722970 /nfs/dbraw/zinc/72/29/70/448722970.db2.gz OVUGZNYVBHQUBK-LJQANCHMSA-N 0 3 332.444 1.761 40 0 EDABHN CC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585269142 448716540 /nfs/dbraw/zinc/71/65/40/448716540.db2.gz KLKXZKFERSNXTM-LJQANCHMSA-N 0 3 348.443 1.140 40 0 EDABHN CC(=O)N1CCN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C[C@H](CO)C1 ZINC000585282585 448731383 /nfs/dbraw/zinc/73/13/83/448731383.db2.gz HNBBVCDHGXQODP-JENIJYKNSA-N 0 3 340.508 1.726 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493370 535596295 /nfs/dbraw/zinc/59/62/95/535596295.db2.gz IFRYPRVOFPOTPI-YCPHGPKFSA-N 0 3 325.430 1.268 40 0 EDABHN COc1cc(-c2nsc(N3CCNCC3)n2)cc(OC)c1OC ZINC000216642844 536870390 /nfs/dbraw/zinc/87/03/90/536870390.db2.gz GLCMGVHYNFDSRP-UHFFFAOYSA-N 0 3 336.417 1.641 40 0 EDABHN C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687825 210247312 /nfs/dbraw/zinc/24/73/12/210247312.db2.gz HOIPITSALYMZEM-SOUVJXGZSA-N 0 3 345.509 1.037 40 0 EDABHN CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1 ZINC000038752145 213223312 /nfs/dbraw/zinc/22/33/12/213223312.db2.gz VNTSKZFEQUDBED-QGZVFWFLSA-N 0 3 333.476 1.906 40 0 EDABHN Cc1noc(C)c1-c1cc(CC2CCN(C(=O)CN)CC2)ncn1 ZINC000257238347 244236519 /nfs/dbraw/zinc/23/65/19/244236519.db2.gz HKNWVKRKSCGUMA-UHFFFAOYSA-N 0 3 329.404 1.488 40 0 EDABHN Cc1c(CN2CCC[C@H](NC(=O)c3cnccn3)CC2)cnn1C ZINC000019745556 212060286 /nfs/dbraw/zinc/06/02/86/212060286.db2.gz ATEAFWUYGHWVAS-HNNXBMFYSA-N 0 3 328.420 1.303 40 0 EDABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)c1ccccn1)C2 ZINC000019707347 212055816 /nfs/dbraw/zinc/05/58/16/212055816.db2.gz BBEIOBODNJHHEF-CYBMUJFWSA-N 0 3 338.415 1.536 40 0 EDABHN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)[nH]n1 ZINC000019451833 212028014 /nfs/dbraw/zinc/02/80/14/212028014.db2.gz QFVXUZUDKVUMQP-INIZCTEOSA-N 0 3 340.431 1.946 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079413152 217221487 /nfs/dbraw/zinc/22/14/87/217221487.db2.gz SYTBZIVYEYSNCC-CVEARBPZSA-N 0 3 333.432 1.745 40 0 EDABHN CN(C)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1ccccc1 ZINC000004983516 210348089 /nfs/dbraw/zinc/34/80/89/210348089.db2.gz YCRIKEPOEDFHPF-SAPNQHFASA-N 0 3 340.427 1.474 40 0 EDABHN Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)nn1 ZINC000096039527 292137414 /nfs/dbraw/zinc/13/74/14/292137414.db2.gz OMHCDEXDTBZELL-FUHWJXTLSA-N 0 3 334.464 1.739 40 0 EDABHN COCCNC(=O)C1(N2C[C@@H](CC(C)C)CC2=O)CCN(C)CC1 ZINC000033436030 441595581 /nfs/dbraw/zinc/59/55/81/441595581.db2.gz WPDBHTFDXCJLNJ-HNNXBMFYSA-N 0 3 339.480 1.108 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(Cc1cccs1)CCC2 ZINC000096058820 442006448 /nfs/dbraw/zinc/00/64/48/442006448.db2.gz PPDDKMHTHMLTEL-UHFFFAOYSA-N 0 3 335.477 1.824 40 0 EDABHN Cc1ccc(CN2CCCn3nnc(COCCN(C)C)c3C2)o1 ZINC000096058825 442006866 /nfs/dbraw/zinc/00/68/66/442006866.db2.gz OVRYRPZPISGLNW-UHFFFAOYSA-N 0 3 333.436 1.664 40 0 EDABHN c1csc(CN[C@@H]2CN3CCOC[C@@H]3[C@@H]2OCc2ccccn2)c1 ZINC000096068901 442017100 /nfs/dbraw/zinc/01/71/00/442017100.db2.gz JKSLCDSVADZBPM-KZNAEPCWSA-N 0 3 345.468 1.901 40 0 EDABHN CCN1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000096160699 442050825 /nfs/dbraw/zinc/05/08/25/442050825.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 0 3 335.452 1.224 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096160147 442050928 /nfs/dbraw/zinc/05/09/28/442050928.db2.gz NZRAULAUACTWSK-KRWDZBQOSA-N 0 3 345.443 1.918 40 0 EDABHN Cc1cccc(S(=O)(=O)N2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)c1 ZINC000096185400 442059481 /nfs/dbraw/zinc/05/94/81/442059481.db2.gz VXEMNKWVMXLNCX-BHYGNILZSA-N 0 3 338.473 1.582 40 0 EDABHN CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000096187313 442064675 /nfs/dbraw/zinc/06/46/75/442064675.db2.gz GOMOUKKINMGXSZ-MGPQQGTHSA-N 0 3 330.475 1.134 40 0 EDABHN COCCn1c(=O)ccc2c1CC[C@@H](NCc1cccnc1OC)C2 ZINC000096189671 442068104 /nfs/dbraw/zinc/06/81/04/442068104.db2.gz XENZBINMXKNBEL-MRXNPFEDSA-N 0 3 343.427 1.545 40 0 EDABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21)N1CCCCO1 ZINC000096206595 442080587 /nfs/dbraw/zinc/08/05/87/442080587.db2.gz IDOGBJMUEXVALD-NXHRZFHOSA-N 0 3 345.443 1.863 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)s1)CC[C@@H]2OC ZINC000096217838 442089086 /nfs/dbraw/zinc/08/90/86/442089086.db2.gz OVNTUFPLKBFBAR-ZNMIVQPWSA-N 0 3 338.473 1.864 40 0 EDABHN Cn1ccnc1CN1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102638 /nfs/dbraw/zinc/10/26/38/442102638.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 0 3 341.459 1.538 40 0 EDABHN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CN)c1 ZINC000257279487 443127985 /nfs/dbraw/zinc/12/79/85/443127985.db2.gz OGWVZKLKROXRRH-HNNXBMFYSA-N 0 3 341.415 1.747 40 0 EDABHN CC(C)N1CCOC[C@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 ZINC000306123204 444284719 /nfs/dbraw/zinc/28/47/19/444284719.db2.gz AHFQDTAWPLHKRF-CJNGLKHVSA-N 0 3 339.461 1.531 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514289943 448160604 /nfs/dbraw/zinc/16/06/04/448160604.db2.gz QOBZIIQGGSJBMD-ZWKOTPCHSA-N 0 3 343.471 1.288 40 0 biogenic,in-vitro EDABHN COCCN1C[C@]2(CC1=O)COCCN(Cc1cccc(C)c1)C2 ZINC000585105041 448687702 /nfs/dbraw/zinc/68/77/02/448687702.db2.gz ZGVNERMWIQRYST-LJQANCHMSA-N 0 3 332.444 1.692 40 0 EDABHN O=C(N[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@H]12)c1ccncc1 ZINC000097953486 219063556 /nfs/dbraw/zinc/06/35/56/219063556.db2.gz XPSMJRPFAXWNDY-JQHSSLGASA-N 0 3 345.443 1.470 40 0 EDABHN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335611 216157738 /nfs/dbraw/zinc/15/77/38/216157738.db2.gz JBEDGBCEBIPOIS-KGLIPLIRSA-N 0 3 332.448 1.401 40 0 EDABHN C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CC[N@@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335611 216157741 /nfs/dbraw/zinc/15/77/41/216157741.db2.gz JBEDGBCEBIPOIS-KGLIPLIRSA-N 0 3 332.448 1.401 40 0 EDABHN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCOC2)C3)C1 ZINC000072335611 216157743 /nfs/dbraw/zinc/15/77/43/216157743.db2.gz JBEDGBCEBIPOIS-KGLIPLIRSA-N 0 3 332.448 1.401 40 0 EDABHN COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000072363204 216169889 /nfs/dbraw/zinc/16/98/89/216169889.db2.gz RCTLZSHCEFVSTF-CYBMUJFWSA-N 0 3 342.399 1.942 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 ZINC000257217250 244171892 /nfs/dbraw/zinc/17/18/92/244171892.db2.gz CYFCSCYKPAXOKA-HNNXBMFYSA-N 0 3 334.401 1.129 40 0 EDABHN COc1ccc([C@@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 ZINC000006484435 210639433 /nfs/dbraw/zinc/63/94/33/210639433.db2.gz FKLFRARLPIXFRO-GOSISDBHSA-N 0 3 331.412 1.284 40 0 EDABHN COc1ccc2c3c1O[C@H]1[C@@]34CCN(C)[C@@H](C2)[C@H]4C[C@H](O)[C@@]1(C)O ZINC000004972556 295278582 /nfs/dbraw/zinc/27/85/82/295278582.db2.gz FDQOEXDFLWOOAL-AZOJCORTSA-N 0 3 331.412 1.086 40 0 EDABHN Cn1c2ccccc2n(CC(=O)N2CC[C@@H]3[C@H]2CCCCN3C)c1=O ZINC000019712579 441259929 /nfs/dbraw/zinc/25/99/29/441259929.db2.gz ALTSKSXFFQZEJE-GDBMZVCRSA-N 0 3 342.443 1.425 40 0 EDABHN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)cc1 ZINC000107198499 441404217 /nfs/dbraw/zinc/40/42/17/441404217.db2.gz NVFXCMGGWJWPLU-RBUKOAKNSA-N 0 3 343.471 1.502 40 0 EDABHN O=S(=O)(NC1CC2(C1)CCN(Cc1ccncc1)CC2)C1CC1 ZINC000108526999 441458867 /nfs/dbraw/zinc/45/88/67/441458867.db2.gz QRYZXQAVSVWGRM-UHFFFAOYSA-N 0 3 335.473 1.908 40 0 EDABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 ZINC000108527977 441460911 /nfs/dbraw/zinc/46/09/11/441460911.db2.gz URFOBTOMRFCLKW-HNNXBMFYSA-N 0 3 339.461 1.144 40 0 EDABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096047818 441995574 /nfs/dbraw/zinc/99/55/74/441995574.db2.gz LZPQPBZJWLNIPD-OAHLLOKOSA-N 0 3 338.473 1.976 40 0 EDABHN O=C([C@H]1CN(Cc2ccccn2)CC12CCOCC2)N1CCOCC1 ZINC000096052221 442002203 /nfs/dbraw/zinc/00/22/03/442002203.db2.gz WWJGWNDGNXWYMA-QGZVFWFLSA-N 0 3 345.443 1.169 40 0 EDABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000096048616 441996347 /nfs/dbraw/zinc/99/63/47/441996347.db2.gz MZYQXZZHSHZZBV-IBGZPJMESA-N 0 3 339.443 1.830 40 0 EDABHN CN(C)CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060669 442007812 /nfs/dbraw/zinc/00/78/12/442007812.db2.gz QNPLLTSNVHCAQD-HNNXBMFYSA-N 0 3 347.438 1.632 40 0 EDABHN c1cnc(NCc2cncc3c2CCN(C[C@@H]2CCOC2)C3)nc1 ZINC000096067445 442015667 /nfs/dbraw/zinc/01/56/67/442015667.db2.gz KAEWLTBXFFLALA-AWEZNQCLSA-N 0 3 325.416 1.878 40 0 EDABHN O=C1[C@@H]2CCN(CC3CCC3)C[C@@H]2OCCN1Cc1ccncc1 ZINC000096107108 442030135 /nfs/dbraw/zinc/03/01/35/442030135.db2.gz KNVKCOUBJRCBON-MSOLQXFVSA-N 0 3 329.444 1.931 40 0 EDABHN CN(C)C(=O)C[C@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 ZINC000096219668 442090248 /nfs/dbraw/zinc/09/02/48/442090248.db2.gz XAQWNHDCXXGIDE-RCCFBDPRSA-N 0 3 332.444 1.771 40 0 EDABHN O=C(C[C@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1)NC1CC1 ZINC000096219304 442090737 /nfs/dbraw/zinc/09/07/37/442090737.db2.gz BZVYMXSHPIQAGB-QXAKKESOSA-N 0 3 344.455 1.961 40 0 EDABHN O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccccn1)C2 ZINC000096219198 442090942 /nfs/dbraw/zinc/09/09/42/442090942.db2.gz TXUFNOPADISDAF-DNVCBOLYSA-N 0 3 338.411 1.494 40 0 EDABHN CN(C)CC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2N(C)Cc1ccccn1 ZINC000096183074 442056051 /nfs/dbraw/zinc/05/60/51/442056051.db2.gz NPHDCNGQYQHHCM-BPQIPLTHSA-N 0 3 330.476 1.702 40 0 EDABHN Cc1occc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC000096185614 442060054 /nfs/dbraw/zinc/06/00/54/442060054.db2.gz KMLKUZMZMCUDLB-YCPHGPKFSA-N 0 3 329.404 1.415 40 0 EDABHN O=C(c1cccnc1)N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096187079 442064663 /nfs/dbraw/zinc/06/46/63/442064663.db2.gz ZIJJNFXYLSLTMO-SQNIBIBYSA-N 0 3 345.443 1.566 40 0 EDABHN O=C(NC[C@]12COC[C@H]1CN(CCOCc1ccccc1)C2)C1CC1 ZINC000096206072 442079294 /nfs/dbraw/zinc/07/92/94/442079294.db2.gz WJJPEFCBDORMRH-QUCCMNQESA-N 0 3 344.455 1.678 40 0 EDABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228782 442096419 /nfs/dbraw/zinc/09/64/19/442096419.db2.gz PCDDAXDHBXILIP-QGZVFWFLSA-N 0 3 338.473 1.949 40 0 EDABHN Cc1nc(CN2CCO[C@H]3CN(CC4CCOCC4)C[C@H]32)cs1 ZINC000096248780 442102248 /nfs/dbraw/zinc/10/22/48/442102248.db2.gz CHHFCGNQTZQEEO-SJORKVTESA-N 0 3 337.489 1.763 40 0 EDABHN CN(C)Cc1cnc(CC2CCN(C(=O)C3(N)CCCC3)CC2)cn1 ZINC000257283568 443130611 /nfs/dbraw/zinc/13/06/11/443130611.db2.gz OYVXUGHIHOTGIO-UHFFFAOYSA-N 0 3 345.491 1.591 40 0 EDABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242464013 443211125 /nfs/dbraw/zinc/21/11/25/443211125.db2.gz DSLGTRKEFZYQDB-ZACQAIPSSA-N 0 3 335.400 1.703 40 0 EDABHN O=C(c1ccccc1)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103124 448686087 /nfs/dbraw/zinc/68/60/87/448686087.db2.gz DJOFRACYYHXCQL-QZTJIDSGSA-N 0 3 344.455 1.765 40 0 EDABHN OCCN(CCO)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289295 448735012 /nfs/dbraw/zinc/73/50/12/448735012.db2.gz HQRDRNYHLBUFAR-ARFHVFGLSA-N 0 3 329.824 1.287 40 0 EDABHN CCOCc1cc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC ZINC000585292122 448736086 /nfs/dbraw/zinc/73/60/86/448736086.db2.gz YJWCFZRYVHXIOQ-NUJGCVRESA-N 0 3 339.432 1.032 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC000257218183 536398669 /nfs/dbraw/zinc/39/86/69/536398669.db2.gz DCEDPNZLBDDNQM-HNNXBMFYSA-N 0 3 343.427 1.420 40 0 EDABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008298015 565091541 /nfs/dbraw/zinc/09/15/41/565091541.db2.gz HNKTZCQBYMTUSW-ZNMIVQPWSA-N 0 3 349.479 1.049 40 0 biogenic,in-vitro EDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)cc1 ZINC000096041488 282109276 /nfs/dbraw/zinc/10/92/76/282109276.db2.gz APFLKPZFZMSYCO-GVDBMIGSSA-N 0 3 336.407 1.776 40 0 EDABHN N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12 ZINC000008296677 283638544 /nfs/dbraw/zinc/63/85/44/283638544.db2.gz MOHUJESLEQTSCL-HOCLYGCPSA-N 0 3 325.343 1.987 40 0 biogenic,in-vitro EDABHN Cc1cccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1C ZINC000022517621 212302885 /nfs/dbraw/zinc/30/28/85/212302885.db2.gz XLOUDDWXIRZBMK-QGZVFWFLSA-N 0 3 333.476 1.824 40 0 EDABHN NC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058706 241293703 /nfs/dbraw/zinc/29/37/03/241293703.db2.gz PUTKWDGOBAMMIB-PMPSAXMXSA-N 0 3 336.844 1.936 40 0 EDABHN CCOC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218146081 241301961 /nfs/dbraw/zinc/30/19/61/241301961.db2.gz RGFUOFHQFTZYBK-PMPSAXMXSA-N 0 3 341.429 1.297 40 0 EDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 ZINC000257222094 244187827 /nfs/dbraw/zinc/18/78/27/244187827.db2.gz DRWBLHCOVBFLHI-INIZCTEOSA-N 0 3 339.399 1.853 40 0 EDABHN Cc1ccn(CCC(=O)NCc2nccnc2C2CCN(C)CC2)n1 ZINC000257225543 244196934 /nfs/dbraw/zinc/19/69/34/244196934.db2.gz FGRJAIMPOLTFKA-UHFFFAOYSA-N 0 3 342.447 1.497 40 0 EDABHN CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCN(CC(N)=O)C1 ZINC000257251122 244267505 /nfs/dbraw/zinc/26/75/05/244267505.db2.gz JPMAATBOSDPZRH-GOSISDBHSA-N 0 3 332.448 1.060 40 0 EDABHN C[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412788 217222108 /nfs/dbraw/zinc/22/21/08/217222108.db2.gz OMNWNOIDDVJALA-GOEBONIOSA-N 0 3 333.432 1.841 40 0 EDABHN Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000012366132 211357334 /nfs/dbraw/zinc/35/73/34/211357334.db2.gz VUTSEZXJRNHHCY-CQSZACIVSA-N 0 3 330.388 1.272 40 0 EDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccccc1C ZINC000010339410 211167300 /nfs/dbraw/zinc/16/73/00/211167300.db2.gz QBSQLDIJHHESLE-LSDHHAIUSA-N 0 3 345.399 1.033 40 0 EDABHN CN(C)CCNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1C ZINC000096147568 218625322 /nfs/dbraw/zinc/62/53/22/218625322.db2.gz MNXDLYRMHMBVPN-UHFFFAOYSA-N 0 3 342.447 1.374 40 0 EDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 ZINC000019752319 277055014 /nfs/dbraw/zinc/05/50/14/277055014.db2.gz HMBKYHWRTOEBEZ-OAHLLOKOSA-N 0 3 325.416 1.743 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039563 289170867 /nfs/dbraw/zinc/17/08/67/289170867.db2.gz IUALFUOKFZVZTC-PKOBYXMFSA-N 0 3 347.459 1.671 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039545 441985370 /nfs/dbraw/zinc/98/53/70/441985370.db2.gz VUDCCYSVOXEDQX-IEBWSBKVSA-N 0 3 347.459 1.671 40 0 EDABHN Cn1cc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000096040837 441987210 /nfs/dbraw/zinc/98/72/10/441987210.db2.gz NCJIUOOEWYDYEG-ZACQAIPSSA-N 0 3 332.448 1.127 40 0 EDABHN CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)CC1 ZINC000096057341 442005296 /nfs/dbraw/zinc/00/52/96/442005296.db2.gz UBJAPOAZKAPHIY-ZACQAIPSSA-N 0 3 349.500 1.644 40 0 EDABHN O=C(NCc1cncc2c1CCN(C[C@H]1CCOC1)C2)c1ccno1 ZINC000096067437 442016184 /nfs/dbraw/zinc/01/61/84/442016184.db2.gz XBFGJAADNAJSFG-CYBMUJFWSA-N 0 3 342.399 1.394 40 0 EDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CCCC1 ZINC000096108309 442032653 /nfs/dbraw/zinc/03/26/53/442032653.db2.gz HUKRVECJWAEMAH-AEFFLSMTSA-N 0 3 330.432 1.335 40 0 EDABHN O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158070 442048510 /nfs/dbraw/zinc/04/85/10/442048510.db2.gz UIVVIMRXKUMEGD-APWZRJJASA-N 0 3 329.444 1.933 40 0 EDABHN Cn1cccc1CN1CCC2(CC1)CN(c1ncccn1)CCO2 ZINC000096159016 442049120 /nfs/dbraw/zinc/04/91/20/442049120.db2.gz PVATXRLRBAJRMD-UHFFFAOYSA-N 0 3 327.432 1.687 40 0 EDABHN Cn1ccnc1CN1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1 ZINC000096183426 442055707 /nfs/dbraw/zinc/05/57/07/442055707.db2.gz ATLXGAVPVVHQNV-ZWKOTPCHSA-N 0 3 326.444 1.895 40 0 EDABHN CN(C)CCN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000096184316 442057409 /nfs/dbraw/zinc/05/74/09/442057409.db2.gz BRMNAQXVWFWGNT-STQMWFEESA-N 0 3 329.491 1.147 40 0 EDABHN CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccc(F)cc4)C[C@@H]32)CC1 ZINC000096185435 442059183 /nfs/dbraw/zinc/05/91/83/442059183.db2.gz IMBCDLIQBDFBAY-YSIASYRMSA-N 0 3 347.478 1.910 40 0 EDABHN Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCO3)C2)cn1 ZINC000096206599 442080752 /nfs/dbraw/zinc/08/07/52/442080752.db2.gz XNQGXBOPWSQSLE-ZACQAIPSSA-N 0 3 348.447 1.201 40 0 EDABHN O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1cccnc1)C2 ZINC000096215176 442085997 /nfs/dbraw/zinc/08/59/97/442085997.db2.gz UTDOVSBZOUIQTP-VQIMIIECSA-N 0 3 338.411 1.494 40 0 EDABHN Cc1nnc(C[C@]23COC[C@H]2CN(Cc2ccc4c(c2)OCO4)C3)o1 ZINC000096216209 442087414 /nfs/dbraw/zinc/08/74/14/442087414.db2.gz PYVCMSNNFPCINC-KDOFPFPSSA-N 0 3 343.383 1.798 40 0 EDABHN Cn1cc(N2C[C@@]3(CCN(Cc4ccccc4)C3)N(C)CC2=O)cn1 ZINC000096230535 442097378 /nfs/dbraw/zinc/09/73/78/442097378.db2.gz DHQJASZGVXDVEK-IBGZPJMESA-N 0 3 339.443 1.343 40 0 EDABHN CCn1cc(CN2CCc3nc(C4CC[NH2+]CC4)[n-]c(=O)c3C2)cn1 ZINC000257296935 443135589 /nfs/dbraw/zinc/13/55/89/443135589.db2.gz RFBYEVCLFVOLQI-UHFFFAOYSA-N 0 3 342.447 1.424 40 0 EDABHN CNC(=O)c1cc(C[C@H]2CCCN(Cc3ccccn3)C2)ncn1 ZINC000257306009 443139825 /nfs/dbraw/zinc/13/98/25/443139825.db2.gz SSMMWMGLXQTPBE-CQSZACIVSA-N 0 3 325.416 1.686 40 0 EDABHN O=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257311167 443142234 /nfs/dbraw/zinc/14/22/34/443142234.db2.gz UIGCHHCLVNRHEF-QZTJIDSGSA-N 0 3 329.444 1.107 40 0 EDABHN CN1CCC[C@H](c2cnc(N3CC4(CCOCC4)OC3=O)cn2)C1 ZINC000257218319 443124656 /nfs/dbraw/zinc/12/46/56/443124656.db2.gz DCRMRYVESJIWPY-ZDUSSCGKSA-N 0 3 332.404 1.792 40 0 EDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000257329761 443150076 /nfs/dbraw/zinc/15/00/76/443150076.db2.gz XLLLYRANEDYJPX-OJLVUWQFSA-N 0 3 349.362 1.055 40 0 EDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000298154256 443705791 /nfs/dbraw/zinc/70/57/91/443705791.db2.gz ZACCELQOVPXZAK-HNNXBMFYSA-N 0 3 342.443 1.427 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306132743 444285992 /nfs/dbraw/zinc/28/59/92/444285992.db2.gz LQSUKKYFXLLQKM-UONOGXRCSA-N 0 3 345.472 1.782 40 0 EDABHN O=C(c1cc(F)cc(F)c1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093991 448677252 /nfs/dbraw/zinc/67/72/52/448677252.db2.gz XDJYPXBRMOOJTR-ZDUSSCGKSA-N 0 3 336.382 1.884 40 0 EDABHN OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCC1 ZINC000585288079 485898250 /nfs/dbraw/zinc/89/82/50/485898250.db2.gz VMDRUNSOMLVCQF-GOSISDBHSA-N 0 3 339.407 1.573 40 0 EDABHN CCCn1cc(CN2CC[C@@H](c3nc(CNC(C)=O)c[nH]3)C2)cn1 ZINC000257241491 535610385 /nfs/dbraw/zinc/61/03/85/535610385.db2.gz HYFOZZPQRPYJIL-OAHLLOKOSA-N 0 3 330.436 1.642 40 0 EDABHN CCCn1cc(CN2CC[C@@H](c3ncc(CNC(C)=O)[nH]3)C2)cn1 ZINC000257241491 535610391 /nfs/dbraw/zinc/61/03/91/535610391.db2.gz HYFOZZPQRPYJIL-OAHLLOKOSA-N 0 3 330.436 1.642 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257273499 536398419 /nfs/dbraw/zinc/39/84/19/536398419.db2.gz NGVOEPFKRHCTHV-KRWDZBQOSA-N 0 3 339.443 1.253 40 0 EDABHN COc1c2c(cc3c1CN1C[C@H](O)[C@@]34C=C[C@@H](OC)C[C@H]14)OCO2 ZINC000008674099 563634945 /nfs/dbraw/zinc/63/49/45/563634945.db2.gz QAHZAHIPKNLGAS-RXUCDUSASA-N 0 3 331.368 1.195 40 0 EDABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000096239194 282384549 /nfs/dbraw/zinc/38/45/49/282384549.db2.gz CIIIFVSMZJJERH-QGZVFWFLSA-N 0 3 327.388 1.710 40 0 EDABHN COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000072363183 216169651 /nfs/dbraw/zinc/16/96/51/216169651.db2.gz HBHHMIREYQXWHE-ZDUSSCGKSA-N 0 3 342.399 1.942 40 0 EDABHN O=C([C@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CCOCC1 ZINC000253615442 244039104 /nfs/dbraw/zinc/03/91/04/244039104.db2.gz OJWFSXGKBVUKID-MJGOQNOKSA-N 0 3 329.444 1.933 40 0 EDABHN NCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257294087 244442566 /nfs/dbraw/zinc/44/25/66/244442566.db2.gz QSJFJWYWUBNXLP-WMLDXEAASA-N 0 3 337.370 1.278 40 0 EDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575264 212045883 /nfs/dbraw/zinc/04/58/83/212045883.db2.gz MVIJQFAVAILYQB-MGPQQGTHSA-N 0 3 346.456 1.860 40 0 EDABHN CCN(C[C@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412428 217222502 /nfs/dbraw/zinc/22/25/02/217222502.db2.gz FDNKMRDHGLKBTP-MRXNPFEDSA-N 0 3 333.432 1.985 40 0 EDABHN O=C(c1ccsc1)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000096245058 296279059 /nfs/dbraw/zinc/27/90/59/296279059.db2.gz SRRVCIVRTWMKQB-CABCVRRESA-N 0 3 333.457 1.374 40 0 EDABHN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 ZINC000005000579 210356187 /nfs/dbraw/zinc/35/61/87/210356187.db2.gz SMKVZXNBOVLKBZ-FRQCXROJSA-N 0 3 337.508 1.629 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000072335604 287279009 /nfs/dbraw/zinc/27/90/09/287279009.db2.gz NQHQXPDNBXGVBL-KGLIPLIRSA-N 0 3 332.448 1.543 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000072335604 287279014 /nfs/dbraw/zinc/27/90/14/287279014.db2.gz NQHQXPDNBXGVBL-KGLIPLIRSA-N 0 3 332.448 1.543 40 0 EDABHN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C[C@@H]1CCOC1)C2 ZINC000072335604 287279016 /nfs/dbraw/zinc/27/90/16/287279016.db2.gz NQHQXPDNBXGVBL-KGLIPLIRSA-N 0 3 332.448 1.543 40 0 EDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 ZINC000218360943 274759313 /nfs/dbraw/zinc/75/93/13/274759313.db2.gz ALTLFUHJDWQDSJ-SJORKVTESA-N 0 3 330.453 1.839 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039562 289170963 /nfs/dbraw/zinc/17/09/63/289170963.db2.gz IUALFUOKFZVZTC-HKUYNNGSSA-N 0 3 347.459 1.671 40 0 EDABHN C[C@@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@@H]1O ZINC000012188243 441128524 /nfs/dbraw/zinc/12/85/24/441128524.db2.gz CVZZLBCUNSFKJF-QAPCUYQASA-N 0 3 332.444 1.891 40 0 EDABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 ZINC000108526796 441459681 /nfs/dbraw/zinc/45/96/81/441459681.db2.gz KFVXJWHABVBIFA-CQSZACIVSA-N 0 3 335.452 1.205 40 0 EDABHN Cn1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525882 441459719 /nfs/dbraw/zinc/45/97/19/441459719.db2.gz NDIOSXSUMRLJBH-WMZOPIPTSA-N 0 3 332.448 1.271 40 0 EDABHN O=C([C@@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCOCC1 ZINC000096052204 442000790 /nfs/dbraw/zinc/00/07/90/442000790.db2.gz PVDIXZMUMGCBEP-INIZCTEOSA-N 0 3 334.416 1.367 40 0 EDABHN O=C(c1ccccn1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041629 441989772 /nfs/dbraw/zinc/98/97/72/441989772.db2.gz NFDXRZRNSYSGSC-RCCFBDPRSA-N 0 3 345.443 1.566 40 0 EDABHN COCCO[C@H]1CCN(Cc2ccccn2)[C@H]1Cc1cnn(C)c1 ZINC000096061643 442009325 /nfs/dbraw/zinc/00/93/25/442009325.db2.gz SSVZIQBEFLSIQQ-ROUUACIJSA-N 0 3 330.432 1.664 40 0 EDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccno3)C2)s1 ZINC000096108474 442033622 /nfs/dbraw/zinc/03/36/22/442033622.db2.gz XXRXGWOGNCJXEJ-DYVFJYSZSA-N 0 3 347.440 1.923 40 0 EDABHN CC(C)NC(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224911 442093919 /nfs/dbraw/zinc/09/39/19/442093919.db2.gz NOOPGQQIXAYAOQ-MRXNPFEDSA-N 0 3 334.464 1.706 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2C1 ZINC000096182303 442056074 /nfs/dbraw/zinc/05/60/74/442056074.db2.gz JOKYWDFNXMAIAX-OKILXGFUSA-N 0 3 327.388 1.285 40 0 EDABHN COCCO[C@@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1cnn(C)c1 ZINC000096200217 442073887 /nfs/dbraw/zinc/07/38/87/442073887.db2.gz ASXBOFKXJBORQU-ZWKOTPCHSA-N 0 3 348.447 1.874 40 0 EDABHN C[C@H]1CN(Cc2cccnc2)C[C@@]12COCCN(C(=O)NC1CC1)C2 ZINC000096202390 442079323 /nfs/dbraw/zinc/07/93/23/442079323.db2.gz VVHRYHLISKRVIN-HNAYVOBHSA-N 0 3 344.459 1.724 40 0 EDABHN c1cc(CN2CCOC[C@]3(CN(C[C@@H]4CCOC4)CCO3)C2)ccn1 ZINC000096229434 442095828 /nfs/dbraw/zinc/09/58/28/442095828.db2.gz NIZUIXPMYNVJKN-RBUKOAKNSA-N 0 3 347.459 1.021 40 0 EDABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccccc3)C2)C1 ZINC000096228840 442096407 /nfs/dbraw/zinc/09/64/07/442096407.db2.gz CYZIAULZBSVDCZ-HXUWFJFHSA-N 0 3 345.487 1.803 40 0 EDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cccc(O)c3)C2)O1 ZINC000247949546 442874569 /nfs/dbraw/zinc/87/45/69/442874569.db2.gz BQZUIUKKQYCKOQ-FUHWJXTLSA-N 0 3 334.416 1.344 40 0 EDABHN C[C@@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@H]1O ZINC000253601653 443075080 /nfs/dbraw/zinc/07/50/80/443075080.db2.gz CVZZLBCUNSFKJF-CRAIPNDOSA-N 0 3 332.444 1.891 40 0 EDABHN O=C(c1ncc[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257297489 443136935 /nfs/dbraw/zinc/13/69/35/443136935.db2.gz RHLHEQGGPSSPQQ-OAHLLOKOSA-N 0 3 342.390 1.498 40 0 EDABHN Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000257323911 443147061 /nfs/dbraw/zinc/14/70/61/443147061.db2.gz WMIWDWUZSPPMCJ-AWEZNQCLSA-N 0 3 338.371 1.513 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cncnc2)C1 ZINC000257208812 443124581 /nfs/dbraw/zinc/12/45/81/443124581.db2.gz BNRMTLDDVAJZEE-GOSISDBHSA-N 0 3 344.390 1.325 40 0 EDABHN Cc1nc(C(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cs1 ZINC000306136666 444286675 /nfs/dbraw/zinc/28/66/75/444286675.db2.gz PZMHSZPHHXRCSC-CJNGLKHVSA-N 0 3 339.461 1.403 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccn2)cc(C(F)(F)F)n1 ZINC000328978747 444432647 /nfs/dbraw/zinc/43/26/47/444432647.db2.gz FZZBCGYLEBVIAA-UHFFFAOYSA-N 0 3 340.353 1.320 40 0 EDABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)CC1 ZINC000514289586 448161150 /nfs/dbraw/zinc/16/11/50/448161150.db2.gz LJJHNECFIAOBEI-AEFFLSMTSA-N 0 3 343.427 1.215 40 0 biogenic,in-vitro EDABHN CC(C)CN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290244 448162058 /nfs/dbraw/zinc/16/20/58/448162058.db2.gz VLZIZAQGPMKOEA-VQTJNVASSA-N 0 3 343.515 1.690 40 0 biogenic,in-vitro EDABHN CC(C)C[C@@H](NC(=O)[C@@H](NCCO)C(C)C)C(=O)Nc1ccccc1 ZINC000224553106 486169654 /nfs/dbraw/zinc/16/96/54/486169654.db2.gz HZJRNDZHXMTSIQ-SJORKVTESA-N 0 3 349.475 1.763 40 0 EDABHN CC(C)(C)OC(=O)N[C@]1(CN)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978220 486530936 /nfs/dbraw/zinc/53/09/36/486530936.db2.gz KIAYRNFCCBEVHG-DOMZBBRYSA-N 0 3 326.418 1.455 40 0 EDABHN CN1CCC(c2nccnc2CNC(=O)CCCn2ccnc2)CC1 ZINC000257206345 536345903 /nfs/dbraw/zinc/34/59/03/536345903.db2.gz BCXWQSFFAAWRFP-UHFFFAOYSA-N 0 3 342.447 1.579 40 0 EDABHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000097953305 219063806 /nfs/dbraw/zinc/06/38/06/219063806.db2.gz DZBHIFQAORTTFS-RBSFLKMASA-N 0 3 344.440 1.871 40 0 EDABHN OCCNc1nc(NCCC2=CCCCC2)nc(N2CCOCC2)n1 ZINC000004602596 210230862 /nfs/dbraw/zinc/23/08/62/210230862.db2.gz FYQCVNIZJLRPCX-UHFFFAOYSA-N 0 3 348.451 1.415 40 0 EDABHN c1cc(CN2CCC[C@H](CN3CCOCC3)C2)nc(N2CCCC2)n1 ZINC000036741514 213116110 /nfs/dbraw/zinc/11/61/10/213116110.db2.gz OFRYJYDNBNQRGR-QGZVFWFLSA-N 0 3 345.491 1.621 40 0 EDABHN CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 ZINC000072360914 216167065 /nfs/dbraw/zinc/16/70/65/216167065.db2.gz ZKAZMLWDQDWBQU-CYBMUJFWSA-N 0 3 341.419 1.244 40 0 EDABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072360907 216167578 /nfs/dbraw/zinc/16/75/78/216167578.db2.gz UXFLPEFMCRTJCE-AWEZNQCLSA-N 0 3 340.431 1.849 40 0 EDABHN CCCn1cc(CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)cn1 ZINC000257257877 244287929 /nfs/dbraw/zinc/28/79/29/244287929.db2.gz KRLSEWDBYBOQMB-GOSISDBHSA-N 0 3 341.459 1.799 40 0 EDABHN Cc1cc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)no1 ZINC000257276131 244390820 /nfs/dbraw/zinc/39/08/20/244390820.db2.gz NSLODUSDCBFEFD-LJQANCHMSA-N 0 3 341.411 1.618 40 0 EDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575266 212045696 /nfs/dbraw/zinc/04/56/96/212045696.db2.gz MVIJQFAVAILYQB-HZSPNIEDSA-N 0 3 346.456 1.860 40 0 EDABHN C[C@H](N)C(=O)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393198 217219215 /nfs/dbraw/zinc/21/92/15/217219215.db2.gz YIFNTHKOAWQHBC-GOEBONIOSA-N 0 3 345.443 1.983 40 0 EDABHN NC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000009063591 211037354 /nfs/dbraw/zinc/03/73/54/211037354.db2.gz YIIUSLDFGQUOCA-UHFFFAOYSA-N 0 3 347.434 1.762 40 0 EDABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 ZINC000005000578 210356413 /nfs/dbraw/zinc/35/64/13/210356413.db2.gz SMKVZXNBOVLKBZ-JTDSTZFVSA-N 0 3 337.508 1.629 40 0 EDABHN CN1CCN(c2ncnc3c2CCN(Cc2ccccc2)CC3)CC1 ZINC000096255677 277115317 /nfs/dbraw/zinc/11/53/17/277115317.db2.gz FZGMGUBQIPHQKI-UHFFFAOYSA-N 0 3 337.471 1.829 40 0 EDABHN CN(c1ccncn1)C1CC2(C1)CCN(C(=O)C1(N)CCCC1)C2 ZINC000257314886 289786265 /nfs/dbraw/zinc/78/62/65/289786265.db2.gz UYYRBOADDOGDIS-UHFFFAOYSA-N 0 3 329.448 1.565 40 0 EDABHN CC(=O)NC1(c2ccccc2)CCN(c2cc(C)nc(N)n2)CC1 ZINC000019656927 441258958 /nfs/dbraw/zinc/25/89/58/441258958.db2.gz SOURQTQRIBZYTF-UHFFFAOYSA-N 0 3 325.416 1.999 40 0 EDABHN Cc1ccc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)o1 ZINC000108526113 441459647 /nfs/dbraw/zinc/45/96/47/441459647.db2.gz UUADHUHXSDFCBS-CQSZACIVSA-N 0 3 342.461 1.651 40 0 EDABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108530925 441460199 /nfs/dbraw/zinc/46/01/99/441460199.db2.gz NUFJAVPSRDKKEY-SJLPKXTDSA-N 0 3 332.448 1.271 40 0 EDABHN COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@H]1CNCCO1 ZINC000038307862 441615001 /nfs/dbraw/zinc/61/50/01/441615001.db2.gz CPBHSHYQQLFAPW-QZTJIDSGSA-N 0 3 339.407 1.523 40 0 EDABHN CN(C)C(=O)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046845 441994931 /nfs/dbraw/zinc/99/49/31/441994931.db2.gz GSPYEOLGUXWRKM-UHFFFAOYSA-N 0 3 335.473 1.651 40 0 EDABHN O=c1ccc2c(n1Cc1ccncc1)CCN([C@H]1CCOC1)CC2 ZINC000096067801 442016533 /nfs/dbraw/zinc/01/65/33/442016533.db2.gz XXNWKXYXOKSXGG-KRWDZBQOSA-N 0 3 325.412 1.481 40 0 EDABHN O=C(COC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CCCC1 ZINC000096108810 442033615 /nfs/dbraw/zinc/03/36/15/442033615.db2.gz NNGZAUCZGSIYDD-MJGOQNOKSA-N 0 3 345.443 1.169 40 0 EDABHN Cn1ccnc1CN1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224250 442092446 /nfs/dbraw/zinc/09/24/46/442092446.db2.gz ATDMDDOPHKPLTQ-LJQANCHMSA-N 0 3 345.491 1.330 40 0 EDABHN CCc1ccc(CN2CC[C@H]3[C@H](CNC(=O)N(C)C)OC[C@H]3C2)o1 ZINC000096185273 442059169 /nfs/dbraw/zinc/05/91/69/442059169.db2.gz XEWFXQLMBLLFIH-XYPHTWIQSA-N 0 3 335.448 1.950 40 0 EDABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1ccncc1F)C2 ZINC000096202012 442077318 /nfs/dbraw/zinc/07/73/18/442077318.db2.gz HOGFXWXYVYAPRL-KRWDZBQOSA-N 0 3 337.395 1.032 40 0 EDABHN Cn1cc(CN2CCOC[C@@]3(CCN(Cc4ccco4)C3)C2)cn1 ZINC000096202122 442077788 /nfs/dbraw/zinc/07/77/88/442077788.db2.gz DOUOAPKCWLHFMH-GOSISDBHSA-N 0 3 330.432 1.738 40 0 EDABHN COCCN1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096202388 442079703 /nfs/dbraw/zinc/07/97/03/442079703.db2.gz REDNKGPFYCBOLW-PBHICJAKSA-N 0 3 338.473 1.805 40 0 EDABHN CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1 ZINC000096208956 442084450 /nfs/dbraw/zinc/08/44/50/442084450.db2.gz VROXISMHOMLJKR-JKSUJKDBSA-N 0 3 339.461 1.144 40 0 EDABHN CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096218652 442089026 /nfs/dbraw/zinc/08/90/26/442089026.db2.gz NUVHRHCTQKMAIX-QFBILLFUSA-N 0 3 339.443 1.847 40 0 EDABHN O=C1NCCN(Cc2ccccc2)C12CCN([C@H]1CCOC1)CC2 ZINC000096230236 442097531 /nfs/dbraw/zinc/09/75/31/442097531.db2.gz WQSAXAKGHWUVDD-KRWDZBQOSA-N 0 3 329.444 1.242 40 0 EDABHN CN(C)CCN1CCOCC2(CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000096239854 442099574 /nfs/dbraw/zinc/09/95/74/442099574.db2.gz LENFMIRDJHKXEQ-UHFFFAOYSA-N 0 3 335.492 1.455 40 0 EDABHN Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12 ZINC000248010469 442877401 /nfs/dbraw/zinc/87/74/01/442877401.db2.gz DRSXUXDPCOCTEW-XNRPHZJLSA-N 0 3 346.456 1.358 40 0 EDABHN O=C(c1ccccc1C(F)(F)F)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257278367 443126571 /nfs/dbraw/zinc/12/65/71/443126571.db2.gz OBYWKQVLUFFXKL-ZIAGYGMSSA-N 0 3 328.334 1.987 40 0 EDABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cnco2)C1 ZINC000257338353 443154275 /nfs/dbraw/zinc/15/42/75/443154275.db2.gz YWZUUBLKFRUTPF-KRWDZBQOSA-N 0 3 330.388 1.169 40 0 EDABHN CCOC[C@@H]1CCN(C)C2(CN(c3cc(C)nc4ncnn43)C2)C1 ZINC000306144030 444288168 /nfs/dbraw/zinc/28/81/68/444288168.db2.gz YTWQHIADPWGLTB-CQSZACIVSA-N 0 3 330.436 1.370 40 0 EDABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O ZINC000514288373 448160834 /nfs/dbraw/zinc/16/08/34/448160834.db2.gz BLWIXRSHGRATLN-OWCLPIDISA-N 0 3 337.420 1.287 40 0 biogenic,in-vitro EDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514288830 448160866 /nfs/dbraw/zinc/16/08/66/448160866.db2.gz FVSCHWJPKFLHNI-WOJBJXKFSA-N 0 3 341.499 1.587 40 0 biogenic,in-vitro EDABHN COc1cccc(C(=O)N2CC3(C2)C[C@@H](CO)CN3CC2CC2)c1 ZINC000585093789 448676273 /nfs/dbraw/zinc/67/62/73/448676273.db2.gz GCKVJBLUYCRGAA-OAHLLOKOSA-N 0 3 330.428 1.614 40 0 EDABHN CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281762 448730478 /nfs/dbraw/zinc/73/04/78/448730478.db2.gz QWTDSVGHHQDUTQ-LJQANCHMSA-N 0 3 332.444 1.903 40 0 EDABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H]1OC ZINC000585291719 448735742 /nfs/dbraw/zinc/73/57/42/448735742.db2.gz SIKWDLWCKSLDFC-KURKYZTESA-N 0 3 331.416 1.733 40 0 EDABHN CSCC(=O)N1CC2(C1)CC[C@H](CN(C)Cc1cccnc1)CO2 ZINC000575403799 449091608 /nfs/dbraw/zinc/09/16/08/449091608.db2.gz JUMACAVJGAPISV-MRXNPFEDSA-N 0 3 349.500 1.884 40 0 EDABHN CCCS(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000575404752 449092401 /nfs/dbraw/zinc/09/24/01/449092401.db2.gz DGUDONGQQZUUPF-OAHLLOKOSA-N 0 3 326.466 1.466 40 0 EDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514289682 500644487 /nfs/dbraw/zinc/64/44/87/500644487.db2.gz YFAMOKGXANSVKM-YESZJQIVSA-N 0 3 336.407 1.416 40 0 biogenic,in-vitro EDABHN Nc1nccc([C@@H]2CCCN(C(=O)[C@@H](N)Cc3ccc(F)cc3)C2)n1 ZINC000072355913 216164757 /nfs/dbraw/zinc/16/47/57/216164757.db2.gz IRERDQVPLDZDCY-HIFRSBDPSA-N 0 3 343.406 1.474 40 0 EDABHN Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@H]2CCCN2)n1 ZINC000072366879 216173551 /nfs/dbraw/zinc/17/35/51/216173551.db2.gz GEYZWNPYHFRBDL-OAHLLOKOSA-N 0 3 328.420 1.192 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218511528 241329310 /nfs/dbraw/zinc/32/93/10/241329310.db2.gz DZPXMTWLOUKYEI-KCQAQPDRSA-N 0 3 345.848 1.749 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC000257218184 244175436 /nfs/dbraw/zinc/17/54/36/244175436.db2.gz DCEDPNZLBDDNQM-OAHLLOKOSA-N 0 3 343.427 1.420 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2c(C)n(C)c3ccccc32)C1 ZINC000257224107 244193771 /nfs/dbraw/zinc/19/37/71/244193771.db2.gz FAIRAQRXDMFRKE-CQSZACIVSA-N 0 3 342.443 1.237 40 0 EDABHN NC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1 ZINC000257221588 244183850 /nfs/dbraw/zinc/18/38/50/244183850.db2.gz DPTDHZWMBYZRLX-ZDUSSCGKSA-N 0 3 331.441 1.933 40 0 EDABHN Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019238288 212009062 /nfs/dbraw/zinc/00/90/62/212009062.db2.gz ITKMDYGAVAMXGU-CZUORRHYSA-N 0 3 340.431 1.552 40 0 EDABHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C ZINC000079420016 217223518 /nfs/dbraw/zinc/22/35/18/217223518.db2.gz YAJYAQFQXGKZGN-ZBFHGGJFSA-N 0 3 333.432 1.839 40 0 EDABHN CC[C@H](CN1CCCCC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000012362929 211355834 /nfs/dbraw/zinc/35/58/34/211355834.db2.gz UAKPYRQPXYEEHT-OWCLPIDISA-N 0 3 344.459 1.601 40 0 EDABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC ZINC000012362738 211355664 /nfs/dbraw/zinc/35/56/64/211355664.db2.gz KGHVUHNHOMEUIX-ZDUSSCGKSA-N 0 3 336.436 1.335 40 0 EDABHN CCN1c2ccccc2[C@@]2(N=C(Nc3ccccc3)NC(=N)N2)C1=O ZINC000019332704 441256426 /nfs/dbraw/zinc/25/64/26/441256426.db2.gz OPSSHXQCYBULMC-GOSISDBHSA-N 0 3 334.383 1.592 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@@H]21 ZINC000096043430 441992887 /nfs/dbraw/zinc/99/28/87/441992887.db2.gz WJKHRFOHWXJLGK-KZNAEPCWSA-N 0 3 347.459 1.380 40 0 EDABHN Cc1ccc(CN2CCO[C@@]3(C2)COCCN(CCN(C)C)C3)o1 ZINC000096049778 441998632 /nfs/dbraw/zinc/99/86/32/441998632.db2.gz GPEAAVQVFPERII-SFHVURJKSA-N 0 3 337.464 1.053 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096040801 441986668 /nfs/dbraw/zinc/98/66/68/441986668.db2.gz LSXNLSHVHOZLEH-BMFZPTHFSA-N 0 3 335.404 1.150 40 0 EDABHN O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096041031 441988017 /nfs/dbraw/zinc/98/80/17/441988017.db2.gz CLEUBIFMGKXNCA-SZMVWBNQSA-N 0 3 345.443 1.356 40 0 EDABHN COCCN1CCC[C@]2(C(=O)[O-])C[N@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096064292 442012225 /nfs/dbraw/zinc/01/22/25/442012225.db2.gz IKMRKWFZPPAASD-LPHOPBHVSA-N 0 3 347.459 1.635 40 0 EDABHN COCCN1CCC[C@]2(C(=O)[O-])C[N@@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096064292 442012231 /nfs/dbraw/zinc/01/22/31/442012231.db2.gz IKMRKWFZPPAASD-LPHOPBHVSA-N 0 3 347.459 1.635 40 0 EDABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 ZINC000096111597 442035732 /nfs/dbraw/zinc/03/57/32/442035732.db2.gz HYAVPNNCBIQMNQ-QRVBRYPASA-N 0 3 340.423 1.643 40 0 biogenic,in-vitro EDABHN Cc1ccsc1C(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC000096197544 442072348 /nfs/dbraw/zinc/07/23/48/442072348.db2.gz IKWCDJJCVCHZFI-UHFFFAOYSA-N 0 3 346.456 1.721 40 0 EDABHN CN(C)C(=O)CO[C@H]1CO[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000096206190 442079444 /nfs/dbraw/zinc/07/94/44/442079444.db2.gz ZZABWWQJYGXIOK-WBVHZDCISA-N 0 3 338.473 1.976 40 0 EDABHN O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1ccco1)C2 ZINC000096215151 442085698 /nfs/dbraw/zinc/08/56/98/442085698.db2.gz TZXCRJIQQAYRFK-RDTXWAMCSA-N 0 3 327.384 1.692 40 0 EDABHN Cc1ccc(CN2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102996 /nfs/dbraw/zinc/10/29/96/442102996.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 0 3 345.487 1.606 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)cn1 ZINC000096249435 442103248 /nfs/dbraw/zinc/10/32/48/442103248.db2.gz OVWWKDRAUJBMEU-QZTJIDSGSA-N 0 3 327.432 1.685 40 0 EDABHN Cc1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249713 442103648 /nfs/dbraw/zinc/10/36/48/442103648.db2.gz HKENGHZILWNRBF-QZTJIDSGSA-N 0 3 339.443 1.907 40 0 EDABHN NC[C@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058834 443058187 /nfs/dbraw/zinc/05/81/87/443058187.db2.gz PUTKWDGOBAMMIB-JYJNAYRXSA-N 0 3 336.844 1.936 40 0 EDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cccnc1 ZINC000257285446 443131719 /nfs/dbraw/zinc/13/17/19/443131719.db2.gz PHCIDKBEAQAEMR-BDXSIMOUSA-N 0 3 341.411 1.322 40 0 EDABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000242473305 443211213 /nfs/dbraw/zinc/21/12/13/443211213.db2.gz FFTOTBKRELNJLK-ZACQAIPSSA-N 0 3 335.400 1.703 40 0 EDABHN O[C@H](COCc1ccccc1F)CN1CCC(n2cncn2)CC1 ZINC000303257187 444236088 /nfs/dbraw/zinc/23/60/88/444236088.db2.gz IXNLODCTZZTLKO-INIZCTEOSA-N 0 3 334.395 1.632 40 0 EDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306123224 444284667 /nfs/dbraw/zinc/28/46/67/444284667.db2.gz AHQRVCNCJGDETO-UHFFFAOYSA-N 0 3 345.472 1.928 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306135106 444286757 /nfs/dbraw/zinc/28/67/57/444286757.db2.gz OHZIIQMCPVAGPQ-STQMWFEESA-N 0 3 329.404 1.314 40 0 EDABHN Cc1nc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)c[nH]1 ZINC000585097809 448682642 /nfs/dbraw/zinc/68/26/42/448682642.db2.gz QPDCJCAJVCTSAB-CQSZACIVSA-N 0 3 328.420 1.425 40 0 EDABHN O=C1CCCN1C[C@H]1CCn2nccc2CN1CC1CCOCC1 ZINC000585097460 448683041 /nfs/dbraw/zinc/68/30/41/448683041.db2.gz LWEVHHLBITUOAD-MRXNPFEDSA-N 0 3 332.448 1.506 40 0 EDABHN CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100730 448684741 /nfs/dbraw/zinc/68/47/41/448684741.db2.gz UXAXLPUBSLEUFS-GDBMZVCRSA-N 0 3 330.494 1.677 40 0 EDABHN CNC(=O)C[C@]1(OC)COCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000585279504 448727825 /nfs/dbraw/zinc/72/78/25/448727825.db2.gz NHXTWXQOCGHPKF-GOSISDBHSA-N 0 3 331.416 1.521 40 0 EDABHN CCCn1cc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)c2ccccc21 ZINC000585291160 448735263 /nfs/dbraw/zinc/73/52/63/448735263.db2.gz LZBHEFXFJKBGBH-LZQZEXGQSA-N 0 3 332.444 1.851 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218460165 535595931 /nfs/dbraw/zinc/59/59/31/535595931.db2.gz WLUYELGZVMMBFV-DZKIICNBSA-N 0 3 325.430 1.404 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000257235318 536398977 /nfs/dbraw/zinc/39/89/77/536398977.db2.gz GXIFTUZGORNZPO-HNNXBMFYSA-N 0 3 342.443 1.237 40 0 EDABHN CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCCOC)nn1 ZINC000008298020 560208324 /nfs/dbraw/zinc/20/83/24/560208324.db2.gz NPWAXSURFWQNOS-OIISXLGYSA-N 0 3 349.479 1.094 40 0 biogenic,in-vitro EDABHN CNc1cc(Nc2nccc([C@@H]3CCCN(CCOC)C3)n2)ncn1 ZINC000072377555 216179665 /nfs/dbraw/zinc/17/96/65/216179665.db2.gz TTWGTQNMRMMGEN-CYBMUJFWSA-N 0 3 343.435 1.878 40 0 EDABHN CCC(CC)C(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391643 216191428 /nfs/dbraw/zinc/19/14/28/216191428.db2.gz GWUXBLJFMXQTBT-AWEZNQCLSA-N 0 3 344.463 1.798 40 0 EDABHN O=c1cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394665 216192864 /nfs/dbraw/zinc/19/28/64/216192864.db2.gz ODMMFOBTKVRYEB-OAHLLOKOSA-N 0 3 325.416 1.755 40 0 EDABHN O=c1cc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394665 216192866 /nfs/dbraw/zinc/19/28/66/216192866.db2.gz ODMMFOBTKVRYEB-OAHLLOKOSA-N 0 3 325.416 1.755 40 0 EDABHN COC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193647 241305057 /nfs/dbraw/zinc/30/50/57/241305057.db2.gz KDGARTSPQVYESW-AVGNSLFASA-N 0 3 348.262 1.551 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CN ZINC000218204762 241306826 /nfs/dbraw/zinc/30/68/26/241306826.db2.gz LMFHWQNFCAIFMR-SRVKXCTJSA-N 0 3 333.251 1.006 40 0 EDABHN COc1cccc(OC)c1CN1CCN(C)C[C@H](C(=O)N(C)C)C1 ZINC000257207904 244141249 /nfs/dbraw/zinc/14/12/49/244141249.db2.gz BJWMEMUOTVPTPZ-AWEZNQCLSA-N 0 3 335.448 1.156 40 0 EDABHN CC(C)(N)C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257209430 244145238 /nfs/dbraw/zinc/14/52/38/244145238.db2.gz BQIJXTKWZMXMEU-KKUMJFAQSA-N 0 3 346.431 1.147 40 0 EDABHN CN(C)C(=O)CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257212846 244156159 /nfs/dbraw/zinc/15/61/59/244156159.db2.gz CFEVJZGTTUEBBC-BXWFABGCSA-N 0 3 329.444 1.949 40 0 EDABHN O=C(Cc1ccsc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257270384 244376925 /nfs/dbraw/zinc/37/69/25/244376925.db2.gz MUANDQNLNHRFJB-HNNXBMFYSA-N 0 3 344.427 1.985 40 0 EDABHN CS(=O)(=O)N1CCC(N2CCC[C@@H](Cc3cccnc3)C2)CC1 ZINC000257265026 244359030 /nfs/dbraw/zinc/35/90/30/244359030.db2.gz LWZDBNYGPAQRPN-INIZCTEOSA-N 0 3 337.489 1.760 40 0 EDABHN CCN(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412872 217222418 /nfs/dbraw/zinc/22/24/18/217222418.db2.gz HKVZWUWLLAEFQS-GOEBONIOSA-N 0 3 333.432 1.841 40 0 EDABHN Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000012366133 211357104 /nfs/dbraw/zinc/35/71/04/211357104.db2.gz VUTSEZXJRNHHCY-AWEZNQCLSA-N 0 3 330.388 1.272 40 0 EDABHN O=C(c1cscn1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257282883 284762562 /nfs/dbraw/zinc/76/25/62/284762562.db2.gz OVQUPDGZHBOWRU-ZDUSSCGKSA-N 0 3 331.388 1.451 40 0 EDABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl ZINC000013632777 441162529 /nfs/dbraw/zinc/16/25/29/441162529.db2.gz LMAFJUVGVQFTIL-UHFFFAOYSA-N 0 3 347.868 1.092 40 0 EDABHN CCCN(CCC)S(=O)(=O)c1cnccc1N1CCNCC1 ZINC000072210641 441206596 /nfs/dbraw/zinc/20/65/96/441206596.db2.gz APLLAEAHRAYLGK-UHFFFAOYSA-N 0 3 326.466 1.302 40 0 EDABHN c1ccc(CN2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 ZINC000107790462 441430695 /nfs/dbraw/zinc/43/06/95/441430695.db2.gz BPLOUSSOLLXXLJ-HKUYNNGSSA-N 0 3 331.460 1.785 40 0 EDABHN Cc1cccc(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)c1 ZINC000039749151 441619452 /nfs/dbraw/zinc/61/94/52/441619452.db2.gz MTGJFASAFJLLGZ-UHFFFAOYSA-N 0 3 329.444 1.508 40 0 EDABHN COc1ccc([C@@H](CN[C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177477 441620320 /nfs/dbraw/zinc/62/03/20/441620320.db2.gz XOGBJUAIHYRMBL-NVXWUHKLSA-N 0 3 338.473 1.609 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21 ZINC000096043317 441991647 /nfs/dbraw/zinc/99/16/47/441991647.db2.gz HCPFFEYLODTQSQ-IXDOHACOSA-N 0 3 333.432 1.071 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096039769 441987256 /nfs/dbraw/zinc/98/72/56/441987256.db2.gz ACFILNLZVNGTLO-IEBWSBKVSA-N 0 3 347.459 1.558 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 ZINC000096039771 441987412 /nfs/dbraw/zinc/98/74/12/441987412.db2.gz ACFILNLZVNGTLO-PKOBYXMFSA-N 0 3 347.459 1.558 40 0 EDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccsc1 ZINC000096041496 441987892 /nfs/dbraw/zinc/98/78/92/441987892.db2.gz OZODHIRVABQMQQ-ZMSDIMECSA-N 0 3 338.473 1.627 40 0 EDABHN COc1cc(N2C[C@H]3[C@@H](C2)CCC[C@H]3CN2CCOCC2)ncn1 ZINC000096081891 442023282 /nfs/dbraw/zinc/02/32/82/442023282.db2.gz YXISEBFDKKIXAE-ARFHVFGLSA-N 0 3 332.448 1.670 40 0 EDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096110654 442036126 /nfs/dbraw/zinc/03/61/26/442036126.db2.gz RNVPWLOUXVSQCI-GASCZTMLSA-N 0 3 326.375 1.820 40 0 EDABHN Cc1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nc(C)n[nH]3)C2)n1 ZINC000096220014 442092012 /nfs/dbraw/zinc/09/20/12/442092012.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 0 3 333.461 1.958 40 0 EDABHN Cc1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3n[nH]c(C)n3)C2)n1 ZINC000096220014 442092015 /nfs/dbraw/zinc/09/20/15/442092015.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 0 3 333.461 1.958 40 0 EDABHN Cc1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C)[nH]3)C2)n1 ZINC000096220014 442092018 /nfs/dbraw/zinc/09/20/18/442092018.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 0 3 333.461 1.958 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)cn1 ZINC000096224924 442094278 /nfs/dbraw/zinc/09/42/78/442094278.db2.gz JDLMPKMCJSIIOC-QGZVFWFLSA-N 0 3 346.475 1.804 40 0 EDABHN Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21 ZINC000096185330 442059650 /nfs/dbraw/zinc/05/96/50/442059650.db2.gz UVCHFIBKXBRUTR-OAGGEKHMSA-N 0 3 344.415 1.280 40 0 EDABHN c1csc(CNC[C@@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 ZINC000096199261 442073237 /nfs/dbraw/zinc/07/32/37/442073237.db2.gz USHDFPCFVKGNNJ-GFCCVEGCSA-N 0 3 328.401 1.485 40 0 EDABHN CN(C)CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OCC1=O ZINC000096201354 442076672 /nfs/dbraw/zinc/07/66/72/442076672.db2.gz RODLDTAVDALSGU-UHFFFAOYSA-N 0 3 349.450 1.581 40 0 EDABHN Cc1ccc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3CC2)s1 ZINC000096249466 442103611 /nfs/dbraw/zinc/10/36/11/442103611.db2.gz HNOSPUVJKZNDIZ-GJZGRUSLSA-N 0 3 344.502 1.681 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O ZINC000252515292 443038869 /nfs/dbraw/zinc/03/88/69/443038869.db2.gz IFRYPRVOFPOTPI-SQWLQELKSA-N 0 3 325.430 1.268 40 0 EDABHN CC(=O)N(C)[C@H]1CC2(CCN(Cc3ccncc3)CC2)OC[C@]1(C)O ZINC000257304423 443139566 /nfs/dbraw/zinc/13/95/66/443139566.db2.gz SLOULFRSDSKPLE-ROUUACIJSA-N 0 3 347.459 1.434 40 0 EDABHN CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1F ZINC000257313561 443143197 /nfs/dbraw/zinc/14/31/97/443143197.db2.gz UTESBURCFXIFOR-IIAWOOMASA-N 0 3 342.436 1.434 40 0 EDABHN CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CCN(Cc3ccco3)C[C@H]21 ZINC000306126826 444285314 /nfs/dbraw/zinc/28/53/14/444285314.db2.gz FGGDICVUHDZZKD-ZFWWWQNUSA-N 0 3 344.415 1.273 40 0 EDABHN Cn1cccc1C(=O)NC[C@@H]1Cn2nccc2CN(CC2CCC2)C1 ZINC000306127756 444285811 /nfs/dbraw/zinc/28/58/11/444285811.db2.gz GGKXQXHWGFGROK-INIZCTEOSA-N 0 3 341.459 1.884 40 0 EDABHN CC(=O)N1CCN(CCc2ccc(F)cc2)C[C@@H](C(=O)N(C)C)C1 ZINC000257227211 244204956 /nfs/dbraw/zinc/20/49/56/244204956.db2.gz FODDAUDCKNFJGI-MRXNPFEDSA-N 0 3 335.423 1.237 40 0 EDABHN COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CC[NH2+]C4)nc3C2)cc1 ZINC000257261112 244347355 /nfs/dbraw/zinc/34/73/55/244347355.db2.gz LFTHNAQUUOAKLC-CQSZACIVSA-N 0 3 340.427 1.826 40 0 EDABHN COCCN1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1 ZINC000019752921 212062393 /nfs/dbraw/zinc/06/23/93/212062393.db2.gz NAAVCJJRERGAHB-UHFFFAOYSA-N 0 3 348.447 1.083 40 0 EDABHN NCC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392994 217218167 /nfs/dbraw/zinc/21/81/67/217218167.db2.gz OACLNGNZPIKWSX-MRXNPFEDSA-N 0 3 331.416 1.737 40 0 EDABHN NCC(=O)N1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079412550 217222097 /nfs/dbraw/zinc/22/20/97/217222097.db2.gz DGTKVPKUZLKWSP-MRXNPFEDSA-N 0 3 331.416 1.737 40 0 EDABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000019339596 285195976 /nfs/dbraw/zinc/19/59/76/285195976.db2.gz HTFRUOIEOZVPMS-UHFFFAOYSA-N 0 3 325.416 1.366 40 0 EDABHN O=c1[n-]c(N2CCCC2)nc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000019339596 285195978 /nfs/dbraw/zinc/19/59/78/285195978.db2.gz HTFRUOIEOZVPMS-UHFFFAOYSA-N 0 3 325.416 1.366 40 0 EDABHN c1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(CC2CC2)C1 ZINC000096244181 275075831 /nfs/dbraw/zinc/07/58/31/275075831.db2.gz SPLMBESSPXEOML-SFHVURJKSA-N 0 3 330.432 1.197 40 0 EDABHN CC(C)C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 ZINC000072391683 275558734 /nfs/dbraw/zinc/55/87/34/275558734.db2.gz RJXXEWWUTPXZDS-CYBMUJFWSA-N 0 3 330.436 1.360 40 0 EDABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 ZINC000108534580 441461731 /nfs/dbraw/zinc/46/17/31/441461731.db2.gz INCKVZFYQKEJDL-MRXNPFEDSA-N 0 3 332.448 1.866 40 0 EDABHN Cn1cc(C(=O)NC2CC3(C2)CCN(Cc2ccccn2)CC3)cn1 ZINC000108534339 441462062 /nfs/dbraw/zinc/46/20/62/441462062.db2.gz HPWQYLGSIJVIEQ-UHFFFAOYSA-N 0 3 339.443 1.990 40 0 EDABHN COc1ccc([C@H](CN[C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177478 441619952 /nfs/dbraw/zinc/61/99/52/441619952.db2.gz XOGBJUAIHYRMBL-WBVHZDCISA-N 0 3 338.473 1.609 40 0 EDABHN O=C([C@@H]1CN(Cc2ccoc2)CC12CCOCC2)N1CCOCC1 ZINC000096052208 442000807 /nfs/dbraw/zinc/00/08/07/442000807.db2.gz KJHXZBSATKQOGJ-INIZCTEOSA-N 0 3 334.416 1.367 40 0 EDABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096036740 441983928 /nfs/dbraw/zinc/98/39/28/441983928.db2.gz YPJGWPFLTUIFRZ-CQSZACIVSA-N 0 3 346.456 1.581 40 0 EDABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076369 442021860 /nfs/dbraw/zinc/02/18/60/442021860.db2.gz FFMIJGCAFIQBMP-LJQANCHMSA-N 0 3 346.475 1.198 40 0 EDABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 ZINC000096110697 442036619 /nfs/dbraw/zinc/03/66/19/442036619.db2.gz ZPBMFJWMBZOQNU-OALUTQOASA-N 0 3 341.459 1.599 40 0 EDABHN Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 ZINC000096183941 442057217 /nfs/dbraw/zinc/05/72/17/442057217.db2.gz IIAZVGQMLJCTNK-CABCVRRESA-N 0 3 347.484 1.968 40 0 EDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)N1CCOCC1 ZINC000096205974 442078627 /nfs/dbraw/zinc/07/86/27/442078627.db2.gz BRVJWRRNQPTJAS-WBVHZDCISA-N 0 3 336.457 1.445 40 0 EDABHN O=C(NCC1CCOCC1)[C@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000096216809 442087706 /nfs/dbraw/zinc/08/77/06/442087706.db2.gz KLYJFVJDVDNAAO-CEXWTWQISA-N 0 3 344.455 1.676 40 0 EDABHN COCCN1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260351 442108384 /nfs/dbraw/zinc/10/83/84/442108384.db2.gz YJROAJUXIQTKIL-UHFFFAOYSA-N 0 3 334.464 1.333 40 0 EDABHN Cc1cccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)n1 ZINC000257314659 443143662 /nfs/dbraw/zinc/14/36/62/443143662.db2.gz UXYKRBYGWDPEAW-INIZCTEOSA-N 0 3 339.386 1.698 40 0 EDABHN CC(=O)N1CCC(O)(CN2CCC(C)(c3nccs3)CC2)CC1 ZINC000257324229 443147790 /nfs/dbraw/zinc/14/77/90/443147790.db2.gz WNTHZFALEDGKAN-UHFFFAOYSA-N 0 3 337.489 1.870 40 0 EDABHN Cc1nn(C)cc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257228600 443125956 /nfs/dbraw/zinc/12/59/56/443125956.db2.gz FUNMHMNNWDZCPH-HNNXBMFYSA-N 0 3 342.390 1.037 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccn2)cc(-c2cccnc2)n1 ZINC000328986398 444434559 /nfs/dbraw/zinc/43/45/59/444434559.db2.gz HYFGMKAABQTQFG-UHFFFAOYSA-N 0 3 349.442 1.363 40 0 EDABHN Cc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093873 448677704 /nfs/dbraw/zinc/67/77/04/448677704.db2.gz LUOXUWPFXFGCBD-MRXNPFEDSA-N 0 3 346.446 1.982 40 0 EDABHN CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)cn1 ZINC000585278585 448727149 /nfs/dbraw/zinc/72/71/49/448727149.db2.gz UIQNTRZSKVRUOU-ROUUACIJSA-N 0 3 326.444 2.395 40 0 EDABHN CCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291193 448735769 /nfs/dbraw/zinc/73/57/69/448735769.db2.gz MYORWVHZTZRBNV-NXHRZFHOSA-N 0 3 331.416 1.062 40 0 EDABHN CCn1nc(C)c(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1C ZINC000585292892 448736253 /nfs/dbraw/zinc/73/62/53/448736253.db2.gz PMMHLSPBZIGSDN-GUDVDZBRSA-N 0 3 347.434 1.980 40 0 EDABHN COc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc(OC)c1 ZINC000019286421 202002199 /nfs/dbraw/zinc/00/21/99/202002199.db2.gz AZEFWMBWPOYMQV-UHFFFAOYSA-N 0 3 329.400 1.696 40 0 EDABHN COCCC(=O)N1CCC(c2nc([C@H]3CCC[NH2+]C3)cc(=O)[n-]2)CC1 ZINC000019593110 202015256 /nfs/dbraw/zinc/01/52/56/202015256.db2.gz RMOVZMBFPGBPKJ-AWEZNQCLSA-N 0 3 348.447 1.392 40 0 EDABHN NC[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218500136 241326800 /nfs/dbraw/zinc/32/68/00/241326800.db2.gz FFTOTBKRELNJLK-IXDOHACOSA-N 0 3 335.400 1.703 40 0 EDABHN CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 ZINC000257213762 244159490 /nfs/dbraw/zinc/15/94/90/244159490.db2.gz CIZLCFAZMVXYCE-INIZCTEOSA-N 0 3 326.400 1.000 40 0 EDABHN Cn1nc(C2CN(C(=O)[C@@]3(C)CCCCN3C)C2)c2nccnc21 ZINC000072367336 203207055 /nfs/dbraw/zinc/20/70/55/203207055.db2.gz CPASHOLSDFEXLJ-QGZVFWFLSA-N 0 3 328.420 1.164 40 0 EDABHN Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O ZINC000257249778 244266977 /nfs/dbraw/zinc/26/69/77/244266977.db2.gz JJSHOGNMPPCVTN-BFYDXBDKSA-N 0 3 338.473 1.603 40 0 EDABHN CC(=O)NCc1cnc(CC2CCN(Cc3ccccn3)CC2)cn1 ZINC000257266889 244364313 /nfs/dbraw/zinc/36/43/13/244364313.db2.gz MEZVCAPQPGNYTD-UHFFFAOYSA-N 0 3 339.443 1.962 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2C(=O)N(c3cnn(C)c3)CC[C@@H]2C1 ZINC000107802934 204248780 /nfs/dbraw/zinc/24/87/80/204248780.db2.gz CBHZPXCVQQMGKM-CJNGLKHVSA-N 0 3 329.404 1.510 40 0 EDABHN c1ncn2c1CN(C1CCOCC1)C[C@H](COc1ccccn1)C2 ZINC000096218572 275077513 /nfs/dbraw/zinc/07/75/13/275077513.db2.gz OZZFQBOLWQGNTG-HNNXBMFYSA-N 0 3 328.416 1.968 40 0 EDABHN CC(=O)NCc1cccc([C@H]2CCCN2C(=O)C2CCN(C)CC2)n1 ZINC000257300680 277037953 /nfs/dbraw/zinc/03/79/53/277037953.db2.gz RVHHQFGJBWDHOE-GOSISDBHSA-N 0 3 344.459 1.723 40 0 EDABHN CNC(=S)N(CCN(C)C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004133445 277262511 /nfs/dbraw/zinc/26/25/11/277262511.db2.gz NWVZUFIJFOQSKK-UHFFFAOYSA-N 0 3 332.473 1.704 40 0 EDABHN CCN1CCC(N2CCC[C@@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222800 279258586 /nfs/dbraw/zinc/25/85/86/279258586.db2.gz DUSOQJOJDIFIEA-GOSISDBHSA-N 0 3 331.464 1.734 40 0 EDABHN O=C(c1ccco1)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096073995 304575905 /nfs/dbraw/zinc/57/59/05/304575905.db2.gz MMACZZCUUJEXHJ-LJQANCHMSA-N 0 3 345.443 1.830 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218047355 301699438 /nfs/dbraw/zinc/69/94/38/301699438.db2.gz JPTPFODCTOUOQV-KZNAEPCWSA-N 0 3 331.437 1.872 40 0 EDABHN CC(=O)N[C@]12CN(C)C[C@H]1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711672 441259504 /nfs/dbraw/zinc/25/95/04/441259504.db2.gz SZXQIPMCBVPMPX-MAUKXSAKSA-N 0 3 333.407 1.037 40 0 EDABHN CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000107711589 441427120 /nfs/dbraw/zinc/42/71/20/441427120.db2.gz FTYKWMFKAYQFIB-HOTGVXAUSA-N 0 3 348.509 1.176 40 0 EDABHN Cc1ccc(CN2CCC3(CCN(CC(=O)N(C)C)C3=O)CC2)o1 ZINC000096046847 441995601 /nfs/dbraw/zinc/99/56/01/441995601.db2.gz YRVGVXBTFQSQQQ-UHFFFAOYSA-N 0 3 333.432 1.491 40 0 EDABHN O=C([C@H]1CN(Cc2ccncc2)CC12CCOCC2)N1CCOCC1 ZINC000096052225 442001087 /nfs/dbraw/zinc/00/10/87/442001087.db2.gz RLOHYVASXFANKC-QGZVFWFLSA-N 0 3 345.443 1.169 40 0 EDABHN COCCNC(=O)[C@@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096038859 441984969 /nfs/dbraw/zinc/98/49/69/441984969.db2.gz YDMDDXIVPFMXQN-RCCFBDPRSA-N 0 3 332.444 1.329 40 0 EDABHN O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 ZINC000096038831 441985505 /nfs/dbraw/zinc/98/55/05/441985505.db2.gz XXWOPLMIAZJPHF-IEBWSBKVSA-N 0 3 329.444 1.774 40 0 EDABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096038718 441985935 /nfs/dbraw/zinc/98/59/35/441985935.db2.gz XITKZLSIWCMWTJ-IEBWSBKVSA-N 0 3 348.418 1.666 40 0 EDABHN O=C(NCc1cccnc1)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096038787 441986058 /nfs/dbraw/zinc/98/60/58/441986058.db2.gz UOOXGBNVVRXGCU-IEBWSBKVSA-N 0 3 341.411 1.972 40 0 EDABHN O=C([C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1)N1CCOCC1 ZINC000096040998 441988615 /nfs/dbraw/zinc/98/86/15/441988615.db2.gz BPJPDJWTMLBFOA-FHWLQOOXSA-N 0 3 344.455 1.567 40 0 EDABHN Cc1cnc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)cn1 ZINC000096070082 442016987 /nfs/dbraw/zinc/01/69/87/442016987.db2.gz KIFGTSGGZQXQGU-SJORKVTESA-N 0 3 325.416 1.567 40 0 EDABHN Cc1cnc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)cn1 ZINC000096082224 442022577 /nfs/dbraw/zinc/02/25/77/442022577.db2.gz TUOOIXZTDSTIFW-IRXDYDNUSA-N 0 3 330.432 1.500 40 0 EDABHN Cc1cnc(C(=O)N2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)cn1 ZINC000096082223 442023266 /nfs/dbraw/zinc/02/32/66/442023266.db2.gz TUOOIXZTDSTIFW-SJORKVTESA-N 0 3 330.432 1.500 40 0 EDABHN Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)c3nccn3C)C[C@H]2C1 ZINC000096081452 442023428 /nfs/dbraw/zinc/02/34/28/442023428.db2.gz SITHOROSHJPMCC-LSDHHAIUSA-N 0 3 343.431 1.619 40 0 EDABHN CC(C)N(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412455 442045249 /nfs/dbraw/zinc/04/52/49/442045249.db2.gz XAQGHXVYRUHYOP-INIZCTEOSA-N 0 3 333.432 1.983 40 0 EDABHN CN1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3cccs3)O2)CC1 ZINC000096183654 442057633 /nfs/dbraw/zinc/05/76/33/442057633.db2.gz ROHQMFDGEIAMOS-HRCADAONSA-N 0 3 335.473 1.254 40 0 EDABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)c1cnccn1 ZINC000096185350 442059327 /nfs/dbraw/zinc/05/93/27/442059327.db2.gz DVJICFRSOXMRLX-INMHGKMJSA-N 0 3 342.399 1.337 40 0 EDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@@H]3C)o1 ZINC000096201529 442076787 /nfs/dbraw/zinc/07/67/87/442076787.db2.gz OMERJBIKIJOLHP-MRXNPFEDSA-N 0 3 349.475 1.732 40 0 EDABHN C[C@H]1CN(Cc2ccco2)C[C@@]12COCCN(Cc1nccn1C)C2 ZINC000096202392 442078893 /nfs/dbraw/zinc/07/88/93/442078893.db2.gz FCVPWAOMKBXHFF-LPHOPBHVSA-N 0 3 344.459 1.984 40 0 EDABHN CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096208177 442083093 /nfs/dbraw/zinc/08/30/93/442083093.db2.gz MBAYCLYXSCFFTD-YESZJQIVSA-N 0 3 349.500 1.502 40 0 EDABHN Cn1cc(CN2CC[C@H]3[C@@H](CC(=O)N4CCCCO4)OC[C@H]3C2)cn1 ZINC000096208439 442083520 /nfs/dbraw/zinc/08/35/20/442083520.db2.gz XNQGXBOPWSQSLE-BRWVUGGUSA-N 0 3 348.447 1.201 40 0 EDABHN O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1cccnc1)C2 ZINC000096217584 442087845 /nfs/dbraw/zinc/08/78/45/442087845.db2.gz CISZDVJZBZYPCA-VQIMIIECSA-N 0 3 338.411 1.494 40 0 EDABHN Fc1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249712 442102849 /nfs/dbraw/zinc/10/28/49/442102849.db2.gz YMLQCEWEKAGXTR-NVXWUHKLSA-N 0 3 343.406 1.738 40 0 EDABHN NC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252513872 443038921 /nfs/dbraw/zinc/03/89/21/443038921.db2.gz AMPDDUOBEOSGMI-XHSDSOJGSA-N 0 3 336.844 1.936 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1cccc(Cl)c1 ZINC000252514826 443039614 /nfs/dbraw/zinc/03/96/14/443039614.db2.gz DZPXMTWLOUKYEI-UMVBOHGHSA-N 0 3 345.848 1.749 40 0 EDABHN CCc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1 ZINC000257286712 443131491 /nfs/dbraw/zinc/13/14/91/443131491.db2.gz PMSBINOARIOJCW-OAHLLOKOSA-N 0 3 343.374 1.545 40 0 EDABHN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CNC)CCO2)n1 ZINC000257342662 443155993 /nfs/dbraw/zinc/15/59/93/443155993.db2.gz ZPQAHRLAIIHGHW-MRXNPFEDSA-N 0 3 344.415 1.727 40 0 EDABHN CO[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000585270767 448717960 /nfs/dbraw/zinc/71/79/60/448717960.db2.gz ALUJCFMLBFGNRR-MSOLQXFVSA-N 0 3 332.444 1.425 40 0 EDABHN COC[C@]1(CC(N)=O)CCCN1Cc1cnn2c1nc(C)cc2C ZINC000585279790 448728912 /nfs/dbraw/zinc/72/89/12/448728912.db2.gz YKAVARQFDTZVMJ-QGZVFWFLSA-N 0 3 331.420 1.203 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218579837 535595946 /nfs/dbraw/zinc/59/59/46/535595946.db2.gz PACMMUHJVBRHGH-IPYPFGDCSA-N 0 3 329.393 1.234 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218465888 535596914 /nfs/dbraw/zinc/59/69/14/535596914.db2.gz VNHCISAJECAVFL-DYEKYZERSA-N 0 3 331.821 1.359 40 0 EDABHN COc1cc(OC)c(OC)cc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575862 202014154 /nfs/dbraw/zinc/01/41/54/202014154.db2.gz YSLQVUOJLZKJEI-NWANDNLSSA-N 0 3 336.432 1.352 40 0 EDABHN CN(C)CCn1nc([C@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 ZINC000019583111 202014374 /nfs/dbraw/zinc/01/43/74/202014374.db2.gz MGSPTJUWOHZQAN-AWEZNQCLSA-N 0 3 327.432 1.719 40 0 EDABHN c1csc(CN[C@@H]2CN3CCOC[C@H]3[C@@H]2OCc2ccccn2)c1 ZINC000253595829 244027810 /nfs/dbraw/zinc/02/78/10/244027810.db2.gz JKSLCDSVADZBPM-FGTMMUONSA-N 0 3 345.468 1.901 40 0 EDABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 ZINC000257204041 244127414 /nfs/dbraw/zinc/12/74/14/244127414.db2.gz ASUHDHVEODOZSD-MRXNPFEDSA-N 0 3 329.404 1.549 40 0 EDABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CN)C3)n2)n1 ZINC000072382986 203210153 /nfs/dbraw/zinc/21/01/53/203210153.db2.gz OZKYMRZHWPTNJX-ZDUSSCGKSA-N 0 3 326.404 1.507 40 0 EDABHN COCCN1CCC[C@H](c2cc(CCC(=O)N(C)C)nc(C)n2)C1 ZINC000072366997 203208186 /nfs/dbraw/zinc/20/81/86/203208186.db2.gz SDKCITCZLGPXHG-HNNXBMFYSA-N 0 3 334.464 1.632 40 0 EDABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096047835 203805087 /nfs/dbraw/zinc/80/50/87/203805087.db2.gz JYLFCCDEUQRJFC-INIZCTEOSA-N 0 3 333.432 1.310 40 0 EDABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCCCC3)[C@H]2O)cc1 ZINC000012529597 207164225 /nfs/dbraw/zinc/16/42/25/207164225.db2.gz FTLRJGLINDBUQU-IEWDOMPSSA-N 0 3 348.443 1.124 40 0 biogenic,in-vitro EDABHN O=C(CNCCN1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311443 132389612 /nfs/dbraw/zinc/38/96/12/132389612.db2.gz YTTAYEWBGWLIJU-UHFFFAOYSA-N 0 3 346.475 1.537 40 0 EDABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@@H](C)O)o2)c1 ZINC000007540606 441055937 /nfs/dbraw/zinc/05/59/37/441055937.db2.gz RUUIJIFKDCYZNS-LLVKDONJSA-N 0 3 347.367 1.990 40 0 EDABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CN1CCOCC1 ZINC000032251876 441548324 /nfs/dbraw/zinc/54/83/24/441548324.db2.gz YZRQMPQBKRVBBJ-FUHWJXTLSA-N 0 3 329.444 1.462 40 0 EDABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1cccs1)CCC2 ZINC000096058834 442006225 /nfs/dbraw/zinc/00/62/25/442006225.db2.gz GHIVLEICOCIZSG-UHFFFAOYSA-N 0 3 349.460 1.464 40 0 EDABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCCC1 ZINC000096100664 442027993 /nfs/dbraw/zinc/02/79/93/442027993.db2.gz LOTGLMTYEWZZRP-ARFHVFGLSA-N 0 3 342.505 1.390 40 0 EDABHN Cn1cc(CN2CCO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC000096108111 442032336 /nfs/dbraw/zinc/03/23/36/442032336.db2.gz KTXIYDHFYOEULE-PKOBYXMFSA-N 0 3 344.434 1.892 40 0 EDABHN c1nc2n(c1CNc1ccccn1)CCN(C[C@@H]1CCOC1)CC2 ZINC000096197122 442069971 /nfs/dbraw/zinc/06/99/71/442069971.db2.gz OBLWTXJPCLQMBD-HNNXBMFYSA-N 0 3 327.432 1.785 40 0 EDABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccccc1OC)C2 ZINC000096206243 442079086 /nfs/dbraw/zinc/07/90/86/442079086.db2.gz KXAZDKKHNCZKMS-APWZRJJASA-N 0 3 348.443 1.296 40 0 EDABHN COC[C@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C ZINC000096208043 442083291 /nfs/dbraw/zinc/08/32/91/442083291.db2.gz WJQUWERFRNYOOE-OAHLLOKOSA-N 0 3 338.473 1.951 40 0 EDABHN Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2 ZINC000096209385 442084678 /nfs/dbraw/zinc/08/46/78/442084678.db2.gz WXPFVBCWNSXHTN-APWZRJJASA-N 0 3 340.427 1.299 40 0 EDABHN COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@@H](CN(C)C)C1 ZINC000248146030 442884030 /nfs/dbraw/zinc/88/40/30/442884030.db2.gz VWHUDDLLEPPADY-INIZCTEOSA-N 0 3 346.406 1.718 40 0 EDABHN O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 ZINC000257204491 443124704 /nfs/dbraw/zinc/12/47/04/443124704.db2.gz AUWGTDHHPOUGRV-KZNAEPCWSA-N 0 3 348.443 1.165 40 0 EDABHN O=C(c1cscn1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257282882 443128899 /nfs/dbraw/zinc/12/88/99/443128899.db2.gz OVQUPDGZHBOWRU-CYBMUJFWSA-N 0 3 331.388 1.451 40 0 EDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257282127 443129627 /nfs/dbraw/zinc/12/96/27/443129627.db2.gz OSKHJDMGSPUVKY-QGZVFWFLSA-N 0 3 332.448 1.452 40 0 EDABHN CNC(=O)[C@H]1CN(Cc2cc3ccccc3s2)CCN(C(C)=O)C1 ZINC000257330076 443150225 /nfs/dbraw/zinc/15/02/25/443150225.db2.gz XMRIWFWYQPPSMI-HNNXBMFYSA-N 0 3 345.468 1.928 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 ZINC000257332738 443151351 /nfs/dbraw/zinc/15/13/51/443151351.db2.gz XYLXAAGXYHDAEI-SFHVURJKSA-N 0 3 346.406 1.268 40 0 EDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)c1 ZINC000257334444 443152119 /nfs/dbraw/zinc/15/21/19/443152119.db2.gz YFXGCWLFXWUUTO-HNNXBMFYSA-N 0 3 344.419 1.358 40 0 EDABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(C2CC2)n1 ZINC000328967294 444426595 /nfs/dbraw/zinc/42/65/95/444426595.db2.gz CTIPATLGRORDFL-UHFFFAOYSA-N 0 3 329.423 1.923 40 0 EDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O ZINC000514288808 448160706 /nfs/dbraw/zinc/16/07/06/448160706.db2.gz DSCHUJGCDVXTKH-GBESFXJTSA-N 0 3 346.471 1.596 40 0 biogenic,in-vitro EDABHN CN1C[C@@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093856 448675436 /nfs/dbraw/zinc/67/54/36/448675436.db2.gz KCYUKIRVGDHIQI-HNNXBMFYSA-N 0 3 327.432 1.528 40 0 EDABHN Cc1cc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)ccc1F ZINC000585284550 448731483 /nfs/dbraw/zinc/73/14/83/448731483.db2.gz YAIYSWSBYWMIIT-ROUUACIJSA-N 0 3 339.407 1.490 40 0 EDABHN CN(C)CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2nnn(C)c21 ZINC000096045448 282109221 /nfs/dbraw/zinc/10/92/21/282109221.db2.gz XPSHLFLOAABODT-CYBMUJFWSA-N 0 3 349.460 1.194 40 0 EDABHN CCOc1cc2c(cc1CN1C[C@@H]3C[C@@H](O)CN3C[C@@H]1C)OCO2 ZINC000019532426 202009796 /nfs/dbraw/zinc/00/97/96/202009796.db2.gz QQOYLYKRYYEXNW-AEGPPILISA-N 0 3 334.416 1.453 40 0 EDABHN CN(CCN1CCCCC1)C(=O)Cn1ncc2ccccc2c1=O ZINC000019656487 202014556 /nfs/dbraw/zinc/01/45/56/202014556.db2.gz YCDZXXXNPBUCLN-UHFFFAOYSA-N 0 3 328.416 1.341 40 0 EDABHN CN(CCN1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000019657473 202015267 /nfs/dbraw/zinc/01/52/67/202015267.db2.gz XVYLJSBTBLQUTB-UHFFFAOYSA-N 0 3 328.420 1.284 40 0 EDABHN CN(C)c1cc(C[C@H]2COCCN(CCc3ccccn3)C2)ncn1 ZINC000072388309 203211878 /nfs/dbraw/zinc/21/18/78/203211878.db2.gz DMTUOJOEDKISBK-MRXNPFEDSA-N 0 3 341.459 1.671 40 0 EDABHN c1cc(CN2CCCC3(CC2)OCCO3)nc(N2CCOCC2)n1 ZINC000072348191 203203813 /nfs/dbraw/zinc/20/38/13/203203813.db2.gz RBDVVBSYYIPVAT-UHFFFAOYSA-N 0 3 334.420 1.042 40 0 EDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 ZINC000072394824 203213669 /nfs/dbraw/zinc/21/36/69/203213669.db2.gz RKJWBTBHIXKZQT-QGZVFWFLSA-N 0 3 325.412 1.976 40 0 EDABHN CS(=O)(=O)N1CCC(N2CCC[C@H](Cc3cccnc3)C2)CC1 ZINC000257265027 244358572 /nfs/dbraw/zinc/35/85/72/244358572.db2.gz LWZDBNYGPAQRPN-MRXNPFEDSA-N 0 3 337.489 1.760 40 0 EDABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096056949 203813243 /nfs/dbraw/zinc/81/32/43/203813243.db2.gz GKVYSHUJPUYLLG-AEFFLSMTSA-N 0 3 336.432 1.756 40 0 EDABHN O=C1CO[C@@H]2CN(CC3CCOCC3)C[C@H]2N1Cc1cccc(F)c1 ZINC000096081656 275019061 /nfs/dbraw/zinc/01/90/61/275019061.db2.gz AHQPCKSPEOGNBT-QZTJIDSGSA-N 0 3 348.418 1.664 40 0 EDABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1C ZINC000257211984 276356309 /nfs/dbraw/zinc/35/63/09/276356309.db2.gz CBKNXCOBNGERKB-AEFFLSMTSA-N 0 3 331.460 1.972 40 0 EDABHN OCCN[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001667445 440850176 /nfs/dbraw/zinc/85/01/76/440850176.db2.gz CMMXVKMSBWRYTM-MSOLQXFVSA-N 0 3 345.351 1.501 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](CC(=O)N3CCCO3)[C@@H]2C1 ZINC000097953567 441147204 /nfs/dbraw/zinc/14/72/04/441147204.db2.gz URSFRIJVXKJHIP-INMHGKMJSA-N 0 3 349.431 1.540 40 0 EDABHN C[C@H]1Cc2cc([C@@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497864 441257704 /nfs/dbraw/zinc/25/77/04/441257704.db2.gz VGCPWXJXJIRKQZ-GUYCJALGSA-N 0 3 338.473 1.917 40 0 EDABHN O=C(CCOC1CCOCC1)N1CCN([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000084559428 441407516 /nfs/dbraw/zinc/40/75/16/441407516.db2.gz COSXFBHPPHZKTI-RYRKJORJSA-N 0 3 336.476 1.905 40 0 EDABHN Cn1cc(CN2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)cn1 ZINC000096046980 441995086 /nfs/dbraw/zinc/99/50/86/441995086.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 0 3 328.464 1.642 40 0 EDABHN CN1CCN([C@@H]2COC3(C2)CCN(Cc2ccccn2)CC3)CC1 ZINC000096048851 441997055 /nfs/dbraw/zinc/99/70/55/441997055.db2.gz WPTBVUHIVXIKFW-SFHVURJKSA-N 0 3 330.476 1.453 40 0 EDABHN Cn1cc(CN2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cn1 ZINC000096038488 441984116 /nfs/dbraw/zinc/98/41/16/441984116.db2.gz MORZTYDUPRSVRM-MRXNPFEDSA-N 0 3 330.432 1.047 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039544 441985160 /nfs/dbraw/zinc/98/51/60/441985160.db2.gz VUDCCYSVOXEDQX-MJGOQNOKSA-N 0 3 347.459 1.671 40 0 EDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 ZINC000096038777 441985641 /nfs/dbraw/zinc/98/56/41/441985641.db2.gz PNZRPLLZHPDYMS-SJLPKXTDSA-N 0 3 333.432 1.941 40 0 EDABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000096058265 442006707 /nfs/dbraw/zinc/00/67/07/442006707.db2.gz BZRUUOHTWGHRHK-IXDOHACOSA-N 0 3 332.448 1.270 40 0 EDABHN Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)s1 ZINC000096060667 442007857 /nfs/dbraw/zinc/00/78/57/442007857.db2.gz FIKZXSJNBRLOSL-CQSZACIVSA-N 0 3 349.504 1.863 40 0 EDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108457 442033729 /nfs/dbraw/zinc/03/37/29/442033729.db2.gz XPIZNIPUTJVOJO-DYVFJYSZSA-N 0 3 347.440 1.923 40 0 EDABHN O=C([C@H]1C[C@@]2(CO1)CCCN(Cc1ccccc1)C2)N1CCOCC1 ZINC000096224854 442092701 /nfs/dbraw/zinc/09/27/01/442092701.db2.gz FWTFEXKGWPOBRQ-QUCCMNQESA-N 0 3 344.455 1.917 40 0 EDABHN Cn1ccnc1CN1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224248 442092923 /nfs/dbraw/zinc/09/29/23/442092923.db2.gz ATDMDDOPHKPLTQ-IBGZPJMESA-N 0 3 345.491 1.330 40 0 EDABHN CN(C)CCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000096157749 442047803 /nfs/dbraw/zinc/04/78/03/442047803.db2.gz FCAJMHBNJMWZOD-UHFFFAOYSA-N 0 3 347.434 1.842 40 0 EDABHN COCCN1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@H]2C ZINC000096201617 442076355 /nfs/dbraw/zinc/07/63/55/442076355.db2.gz XUDZMDYWTYSVLE-INIZCTEOSA-N 0 3 347.459 1.618 40 0 EDABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1cccnc1)CC2 ZINC000096208567 442082818 /nfs/dbraw/zinc/08/28/18/442082818.db2.gz MNABQBPFVBNTTG-QGZVFWFLSA-N 0 3 347.459 1.558 40 0 EDABHN Cc1ccc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nn1 ZINC000096249715 442103488 /nfs/dbraw/zinc/10/34/88/442103488.db2.gz HWHLQUJIAQGDBA-QZTJIDSGSA-N 0 3 339.443 1.907 40 0 EDABHN CCCS(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257299342 443136743 /nfs/dbraw/zinc/13/67/43/443136743.db2.gz RPQLGOWSXOSHQN-MRXNPFEDSA-N 0 3 344.452 1.434 40 0 EDABHN OC1(c2csc(CN3CCC3)n2)CCN(C2CCOCC2)CC1 ZINC000225421885 443101712 /nfs/dbraw/zinc/10/17/12/443101712.db2.gz KIWZRQXOOCMNSZ-UHFFFAOYSA-N 0 3 337.489 1.811 40 0 biogenic,in-vitro EDABHN COCCN1CCC(Cc2cnc(N3C[C@H](C)OC3=O)cn2)CC1 ZINC000257229087 443125974 /nfs/dbraw/zinc/12/59/74/443125974.db2.gz FWQKGZSMCGHALH-ZDUSSCGKSA-N 0 3 334.420 1.723 40 0 EDABHN CNc1cc(C)nc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)c1 ZINC000257334445 443152032 /nfs/dbraw/zinc/15/20/32/443152032.db2.gz YFXGCWLFXWUUTO-OAHLLOKOSA-N 0 3 344.419 1.358 40 0 EDABHN c1c([C@H]2CNCCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306127880 444285676 /nfs/dbraw/zinc/28/56/76/444285676.db2.gz GJSVOESVSMGGQW-QGZVFWFLSA-N 0 3 341.459 1.527 40 0 EDABHN CC[C@@H](C)Nc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1 ZINC000329041227 444454840 /nfs/dbraw/zinc/45/48/40/444454840.db2.gz SGLYPNHARYVSQA-CQSZACIVSA-N 0 3 332.496 1.068 40 0 EDABHN CNC(=O)[C@@]1(C)CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585284932 448731311 /nfs/dbraw/zinc/73/13/11/448731311.db2.gz KJYKLIFYJKNCGA-RLLQIKCJSA-N 0 3 346.471 1.912 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493523 535596257 /nfs/dbraw/zinc/59/62/57/535596257.db2.gz IFRYPRVOFPOTPI-DZKIICNBSA-N 0 3 325.430 1.268 40 0 EDABHN CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000054360902 214232902 /nfs/dbraw/zinc/23/29/02/214232902.db2.gz FFXOYYSKGIJNIM-RAXLEYEMSA-N 0 3 333.413 1.401 40 0 EDABHN CCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCN(C)CC1 ZINC000019657643 202014854 /nfs/dbraw/zinc/01/48/54/202014854.db2.gz XOQADAMFJIUGHQ-UHFFFAOYSA-N 0 3 328.420 1.283 40 0 EDABHN CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 ZINC000257204434 244130158 /nfs/dbraw/zinc/13/01/58/244130158.db2.gz AUPKSQSJJGHJSW-INIZCTEOSA-N 0 3 348.428 1.589 40 0 EDABHN CNc1cc([C@H]2CCCN2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 ZINC000257245293 244256256 /nfs/dbraw/zinc/25/62/56/244256256.db2.gz IOWGDKKGRGACDN-MRXNPFEDSA-N 0 3 347.463 1.337 40 0 EDABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072360879 203205800 /nfs/dbraw/zinc/20/58/00/203205800.db2.gz QJRZMWANPNDQKW-CQSZACIVSA-N 0 3 340.431 1.897 40 0 EDABHN O=C(NCc1ccco1)C1=NO[C@]2(CCN(CCN3CCCC3)C2)C1 ZINC000096225884 203875628 /nfs/dbraw/zinc/87/56/28/203875628.db2.gz MMAREJGFNDWQFH-GOSISDBHSA-N 0 3 346.431 1.212 40 0 EDABHN O=C(c1cscn1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 ZINC000107193114 204226557 /nfs/dbraw/zinc/22/65/57/204226557.db2.gz UOIPRQQVXZXYBT-CYBMUJFWSA-N 0 3 337.445 1.239 40 0 EDABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 ZINC000108526799 204265585 /nfs/dbraw/zinc/26/55/85/204265585.db2.gz KFVXJWHABVBIFA-AWEZNQCLSA-N 0 3 335.452 1.205 40 0 EDABHN Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108527192 204265901 /nfs/dbraw/zinc/26/59/01/204265901.db2.gz KURBIPBTYKVACL-INIZCTEOSA-N 0 3 349.479 1.513 40 0 EDABHN CN(CC(N)=O)C[C@@H]1CN([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000276270847 273157136 /nfs/dbraw/zinc/15/71/36/273157136.db2.gz QULCQCPWLNULGV-NSHGMRRFSA-N 0 3 345.487 1.615 40 0 EDABHN O=C(Nc1ccccc1)[C@H]1CC(=O)N=C(N2CCc3ccccc32)N1 ZINC000002355265 440862332 /nfs/dbraw/zinc/86/23/32/440862332.db2.gz HTXTYXHXNBIXIF-OAHLLOKOSA-N 0 3 334.379 1.932 40 0 EDABHN CCn1cc(Br)c(C(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000002775173 440875441 /nfs/dbraw/zinc/87/54/41/440875441.db2.gz UMYSYTVSDANJMR-SNVBAGLBSA-N 0 3 327.226 1.586 40 0 EDABHN Cc1nn(C)cc1C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000012366128 441132302 /nfs/dbraw/zinc/13/23/02/441132302.db2.gz HYPFALCXWYDYBX-OAHLLOKOSA-N 0 3 328.416 1.694 40 0 EDABHN O=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000097953536 441147844 /nfs/dbraw/zinc/14/78/44/441147844.db2.gz VUJVQSOBBSMSLU-NXHRZFHOSA-N 0 3 338.411 1.810 40 0 EDABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497863 441257753 /nfs/dbraw/zinc/25/77/53/441257753.db2.gz VGCPWXJXJIRKQZ-DYVFJYSZSA-N 0 3 338.473 1.917 40 0 EDABHN c1cnc(N2CCC[C@@]3(CN(CC4CCOCC4)CCO3)C2)cn1 ZINC000096049174 441997492 /nfs/dbraw/zinc/99/74/92/441997492.db2.gz ADIGDUAVZNVRDR-GOSISDBHSA-N 0 3 332.448 1.574 40 0 EDABHN Cc1cccc(CN2CCO[C@H]3CN(CC4CC4)CC[C@H]3C2=O)n1 ZINC000096107173 442030728 /nfs/dbraw/zinc/03/07/28/442030728.db2.gz DIWPGSJZCPEGGP-MSOLQXFVSA-N 0 3 329.444 1.849 40 0 EDABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158234 442048224 /nfs/dbraw/zinc/04/82/24/442048224.db2.gz ZWHQRVWQUIRWGC-MJGOQNOKSA-N 0 3 329.444 1.728 40 0 EDABHN CN(C)C(=O)COCc1cncc2c1CCN(C[C@H]1CCOC1)C2 ZINC000096189390 442067905 /nfs/dbraw/zinc/06/79/05/442067905.db2.gz GISQCAPUOAKJJJ-CQSZACIVSA-N 0 3 333.432 1.081 40 0 EDABHN CN1CCN(Cc2cnc3n2CCN(Cc2cccnc2)CC3)CC1 ZINC000096196926 442070491 /nfs/dbraw/zinc/07/04/91/442070491.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 0 3 340.475 1.084 40 0 EDABHN COCCN1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202387 442079415 /nfs/dbraw/zinc/07/94/15/442079415.db2.gz BOLGGTMMNLLCDZ-QAPCUYQASA-N 0 3 333.432 1.139 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@@H]2OC ZINC000096206847 442080758 /nfs/dbraw/zinc/08/07/58/442080758.db2.gz BQKVRDIQERJHLS-XHSDSOJGSA-N 0 3 342.436 1.555 40 0 EDABHN COCCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228780 442095900 /nfs/dbraw/zinc/09/59/00/442095900.db2.gz FJHQJJFXCSKMDO-HXUWFJFHSA-N 0 3 346.471 1.817 40 0 EDABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228784 442095914 /nfs/dbraw/zinc/09/59/14/442095914.db2.gz OTQMDMPZBGJLSE-QGZVFWFLSA-N 0 3 338.473 1.949 40 0 EDABHN O=C1NCCN(Cc2ccccc2)C12CCN([C@@H]1CCOC1)CC2 ZINC000096230235 442096818 /nfs/dbraw/zinc/09/68/18/442096818.db2.gz WQSAXAKGHWUVDD-QGZVFWFLSA-N 0 3 329.444 1.242 40 0 EDABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CCO)CCN3C)s1 ZINC000096230096 442097557 /nfs/dbraw/zinc/09/75/57/442097557.db2.gz WNDRTDZFPFNKNN-UHFFFAOYSA-N 0 3 337.489 1.157 40 0 EDABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000257280901 443128215 /nfs/dbraw/zinc/12/82/15/443128215.db2.gz OMWAKZLMTJVHIH-AWEZNQCLSA-N 0 3 337.851 1.409 40 0 EDABHN CN(C)CCN1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102425 448686500 /nfs/dbraw/zinc/68/65/00/448686500.db2.gz FWRRRVKGAPYYDC-UHFFFAOYSA-N 0 3 341.471 1.381 40 0 EDABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)cc1 ZINC000585283162 448731860 /nfs/dbraw/zinc/73/18/60/448731860.db2.gz QMRPVIBVISTABN-HKUYNNGSSA-N 0 3 335.444 1.477 40 0 EDABHN CN(C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 ZINC000257256736 535995448 /nfs/dbraw/zinc/99/54/48/535995448.db2.gz KMROJRQSDBDWIX-ROUUACIJSA-N 0 3 342.443 1.783 40 0 EDABHN Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1C ZINC000022517626 202086233 /nfs/dbraw/zinc/08/62/33/202086233.db2.gz XLOUDDWXIRZBMK-KRWDZBQOSA-N 0 3 333.476 1.824 40 0 EDABHN NCC1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218453778 241324477 /nfs/dbraw/zinc/32/44/77/241324477.db2.gz IEPPVTRWAMIYKW-CVEARBPZSA-N 0 3 334.416 1.669 40 0 EDABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000257235319 244226013 /nfs/dbraw/zinc/22/60/13/244226013.db2.gz GXIFTUZGORNZPO-OAHLLOKOSA-N 0 3 342.443 1.237 40 0 EDABHN COc1ncccc1CNC[C@H]1COCc2nc3cccnc3n21 ZINC000096112802 274170455 /nfs/dbraw/zinc/17/04/55/274170455.db2.gz RRXUBFVNFLDWKN-ZDUSSCGKSA-N 0 3 325.372 1.696 40 0 biogenic,in-vitro EDABHN CCN(CC)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040587 276114993 /nfs/dbraw/zinc/11/49/93/276114993.db2.gz USNHCSKGUBMVKF-WDYCEAGBSA-N 0 3 331.460 1.972 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000096039521 276763006 /nfs/dbraw/zinc/76/30/06/276763006.db2.gz BIKOPFBPLLYMBT-DOTOQJQBSA-N 0 3 338.427 1.569 40 0 EDABHN CN(C)CCOC[C@@H]1CN(C(=O)c2cccs2)Cc2nnn(C)c21 ZINC000096045457 289171083 /nfs/dbraw/zinc/17/10/83/289171083.db2.gz RDNDGMZKAXSABJ-LBPRGKRZSA-N 0 3 349.460 1.194 40 0 EDABHN O[C@@H](Cn1cccn1)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609647 441665712 /nfs/dbraw/zinc/66/57/12/441665712.db2.gz HNCPFNHYASQUJW-JKSUJKDBSA-N 0 3 344.463 1.442 40 0 EDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC000096043316 441991512 /nfs/dbraw/zinc/99/15/12/441991512.db2.gz ISJQCIMBBCITOP-CEXWTWQISA-N 0 3 346.471 1.985 40 0 EDABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096047834 441995592 /nfs/dbraw/zinc/99/55/92/441995592.db2.gz JYLFCCDEUQRJFC-MRXNPFEDSA-N 0 3 333.432 1.310 40 0 EDABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000096049488 441998435 /nfs/dbraw/zinc/99/84/35/441998435.db2.gz TXVICUOIIWFDHU-LJQANCHMSA-N 0 3 349.450 1.486 40 0 EDABHN c1cncc(CO[C@@H]2CN(CCN3CCCC3)[C@@H]3CCCO[C@H]23)c1 ZINC000096065935 442013820 /nfs/dbraw/zinc/01/38/20/442013820.db2.gz GMZVZYOMNYKXCV-QRVBRYPASA-N 0 3 331.460 1.926 40 0 EDABHN Cn1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cn1 ZINC000096061685 442009804 /nfs/dbraw/zinc/00/98/04/442009804.db2.gz NLDSHTLXPICTDZ-UXHICEINSA-N 0 3 340.471 1.938 40 0 EDABHN Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)cn1 ZINC000096066224 442014818 /nfs/dbraw/zinc/01/48/18/442014818.db2.gz IZNKWJFBVLVJJQ-BHYGNILZSA-N 0 3 330.432 1.291 40 0 EDABHN Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096108438 442031536 /nfs/dbraw/zinc/03/15/36/442031536.db2.gz HJXZZAPNOREADC-APWZRJJASA-N 0 3 340.427 1.299 40 0 EDABHN O=C(Cc1ccccc1F)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107994 442032345 /nfs/dbraw/zinc/03/23/45/442032345.db2.gz NYFZJAOYZUHMLY-FUHWJXTLSA-N 0 3 332.419 1.937 40 0 EDABHN COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cccc(C)n3)CC2)O1 ZINC000096111125 442036029 /nfs/dbraw/zinc/03/60/29/442036029.db2.gz ZWSJOEVELYYVIV-KRWDZBQOSA-N 0 3 347.459 1.666 40 0 EDABHN CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000096185647 442059264 /nfs/dbraw/zinc/05/92/64/442059264.db2.gz PUJSWKMAORKMHL-SQNIBIBYSA-N 0 3 340.431 1.185 40 0 EDABHN Cc1ccc(CN2Cc3ccnn3C[C@@H](C(=O)NCCN(C)C)C2)o1 ZINC000096188837 442067318 /nfs/dbraw/zinc/06/73/18/442067318.db2.gz WENSYPLULXFFQP-HNNXBMFYSA-N 0 3 345.447 1.094 40 0 EDABHN Cc1ccc(NCc2cnc3n2CCN(C[C@H]2CCOC2)CC3)nn1 ZINC000096197136 442070039 /nfs/dbraw/zinc/07/00/39/442070039.db2.gz UABXYRDJIBIDEQ-OAHLLOKOSA-N 0 3 342.447 1.488 40 0 EDABHN CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4ccncc4)C3)O2)CC1 ZINC000096207005 442080662 /nfs/dbraw/zinc/08/06/62/442080662.db2.gz CPRWCSOGWNJJGP-WOJBJXKFSA-N 0 3 344.503 1.843 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)nc1)CC[C@@H]2OC ZINC000096209378 442084964 /nfs/dbraw/zinc/08/49/64/442084964.db2.gz RDDFOIJJFSDLQR-BBWFWOEESA-N 0 3 333.432 1.198 40 0 EDABHN COc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC000247865292 442870452 /nfs/dbraw/zinc/87/04/52/442870452.db2.gz ARRYSNRQDNUHPZ-WMZOPIPTSA-N 0 3 340.427 1.823 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(F)cc1 ZINC000252515977 443039988 /nfs/dbraw/zinc/03/99/88/443039988.db2.gz PACMMUHJVBRHGH-UMVBOHGHSA-N 0 3 329.393 1.234 40 0 EDABHN CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306133315 444285959 /nfs/dbraw/zinc/28/59/59/444285959.db2.gz MIDYZRUWCLDEEV-UHFFFAOYSA-N 0 3 343.431 1.849 40 0 EDABHN CC(C)CN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289144 448160303 /nfs/dbraw/zinc/16/03/03/448160303.db2.gz IPWCQPOQFDGYEH-RTBURBONSA-N 0 3 329.488 1.648 40 0 biogenic,in-vitro EDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O ZINC000514288943 448160461 /nfs/dbraw/zinc/16/04/61/448160461.db2.gz LNOBAJFLNGNMFF-OFQRWUPVSA-N 0 3 326.462 1.267 40 0 biogenic,in-vitro EDABHN CC(=O)NC[C@]1(O)CCN(Cc2cc3ccccc3s2)C[C@H]1O ZINC000585261359 448715520 /nfs/dbraw/zinc/71/55/20/448715520.db2.gz CPWCTWHSDHXAMR-IAGOWNOFSA-N 0 3 334.441 1.335 40 0 EDABHN CSCC(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1cccnc1)CO2 ZINC000575403796 449091393 /nfs/dbraw/zinc/09/13/93/449091393.db2.gz JUMACAVJGAPISV-INIZCTEOSA-N 0 3 349.500 1.884 40 0 EDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218601748 486156657 /nfs/dbraw/zinc/15/66/57/486156657.db2.gz GYOCTJNJWBUSNI-FGTMMUONSA-N 0 3 330.453 1.845 40 0 EDABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1 ZINC000225915563 535906560 /nfs/dbraw/zinc/90/65/60/535906560.db2.gz XGHGRHUUMLIBOY-UHFFFAOYSA-N 0 3 337.420 1.750 40 0 EDABHN COc1ccc([C@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1 ZINC000257203682 536944467 /nfs/dbraw/zinc/94/44/67/536944467.db2.gz ARCIPUJNCGCIBB-GOSISDBHSA-N 0 3 347.459 1.015 40 0 EDABHN COCCC(=O)N1CCC(c2nc([C@@H]3CCC[NH2+]C3)cc(=O)[n-]2)CC1 ZINC000019593109 202015577 /nfs/dbraw/zinc/01/55/77/202015577.db2.gz RMOVZMBFPGBPKJ-CQSZACIVSA-N 0 3 348.447 1.392 40 0 EDABHN CN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096208666 283261840 /nfs/dbraw/zinc/26/18/40/283261840.db2.gz JYPBYLSGIRMASO-HNNXBMFYSA-N 0 3 342.505 1.834 40 0 EDABHN CNc1cc(Nc2nccc([C@H]3CCCN(CCOC)C3)n2)ncn1 ZINC000072377556 203208470 /nfs/dbraw/zinc/20/84/70/203208470.db2.gz TTWGTQNMRMMGEN-ZDUSSCGKSA-N 0 3 343.435 1.878 40 0 EDABHN O=c1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394663 203213486 /nfs/dbraw/zinc/21/34/86/203213486.db2.gz BAYIBDOCVIXFOD-OAHLLOKOSA-N 0 3 325.416 1.755 40 0 EDABHN O=c1cc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394663 203213490 /nfs/dbraw/zinc/21/34/90/203213490.db2.gz BAYIBDOCVIXFOD-OAHLLOKOSA-N 0 3 325.416 1.755 40 0 EDABHN O=c1cc([C@H]2CC[N@H+](Cc3ccncc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394664 203214108 /nfs/dbraw/zinc/21/41/08/203214108.db2.gz ODMMFOBTKVRYEB-HNNXBMFYSA-N 0 3 325.416 1.755 40 0 EDABHN O=c1cc([C@H]2CC[N@@H+](Cc3ccncc3)C2)nc(N2CCCC2)[n-]1 ZINC000072394664 203214111 /nfs/dbraw/zinc/21/41/11/203214111.db2.gz ODMMFOBTKVRYEB-HNNXBMFYSA-N 0 3 325.416 1.755 40 0 EDABHN Cc1ccc(CN2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)cc1 ZINC000096107868 203836180 /nfs/dbraw/zinc/83/61/80/203836180.db2.gz JDJHEVLMUAGTAP-DLBZAZTESA-N 0 3 338.473 1.668 40 0 EDABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108529885 204264925 /nfs/dbraw/zinc/26/49/25/204264925.db2.gz CFLOKSBTWRUUSU-IEBWSBKVSA-N 0 3 344.459 1.636 40 0 EDABHN CN(C)CCO[C@H]1CN(C(=O)c2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096187024 276762937 /nfs/dbraw/zinc/76/29/37/276762937.db2.gz RWWGNMKDFVAUDS-IKGGRYGDSA-N 0 3 336.407 1.776 40 0 EDABHN CC(C)(C)OC(=O)N[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978134 277203553 /nfs/dbraw/zinc/20/35/53/277203553.db2.gz KIAYRNFCCBEVHG-IUODEOHRSA-N 0 3 326.418 1.455 40 0 EDABHN COc1ccc(CN2CC[C@@]3(NC(C)=O)CN(C(C)=O)C[C@H]3C2)cc1 ZINC000019713044 441259917 /nfs/dbraw/zinc/25/99/17/441259917.db2.gz OLDNWKFDLIUBRQ-IEBWSBKVSA-N 0 3 345.443 1.254 40 0 EDABHN CN1CCC(N2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 ZINC000035426017 441604345 /nfs/dbraw/zinc/60/43/45/441604345.db2.gz WIIKVXTTXORRMM-ZDUSSCGKSA-N 0 3 329.408 1.340 40 0 biogenic,in-vitro EDABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096039768 441987190 /nfs/dbraw/zinc/98/71/90/441987190.db2.gz ACFILNLZVNGTLO-MJGOQNOKSA-N 0 3 347.459 1.558 40 0 EDABHN Cc1cccc(S(=O)(=O)N2CCC3(C[C@H](N(C)C)CO3)CC2)c1 ZINC000096063055 442010753 /nfs/dbraw/zinc/01/07/53/442010753.db2.gz SMCUEYWVMRUULD-HNNXBMFYSA-N 0 3 338.473 1.869 40 0 EDABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1 ZINC000096111593 442035777 /nfs/dbraw/zinc/03/57/77/442035777.db2.gz HCQPCNZZHRLRSU-NUJGCVRESA-N 0 3 334.460 1.765 40 0 biogenic,in-vitro EDABHN CCN(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 ZINC000079412865 442045501 /nfs/dbraw/zinc/04/55/01/442045501.db2.gz HKVZWUWLLAEFQS-HOCLYGCPSA-N 0 3 333.432 1.841 40 0 EDABHN Cc1ccc(CC(=O)N2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cc1 ZINC000096160230 442050682 /nfs/dbraw/zinc/05/06/82/442050682.db2.gz HRCOIRBEOGWCBG-UYAOXDASSA-N 0 3 346.471 1.876 40 0 EDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1 ZINC000096186215 442061119 /nfs/dbraw/zinc/06/11/19/442061119.db2.gz WWGOXDYISZBHKF-IAGOWNOFSA-N 0 3 347.434 1.522 40 0 EDABHN O=C(CC1CC1)NCc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 ZINC000096197049 442069818 /nfs/dbraw/zinc/06/98/18/442069818.db2.gz BOYLRYSAVFOVFN-HNNXBMFYSA-N 0 3 332.448 1.194 40 0 EDABHN CN1CC[C@@]2(C1)COCCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096201962 442077420 /nfs/dbraw/zinc/07/74/20/442077420.db2.gz CFOFFHYBVCRBMI-HNNXBMFYSA-N 0 3 328.409 1.169 40 0 EDABHN CCOCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202189 442078269 /nfs/dbraw/zinc/07/82/69/442078269.db2.gz RFFUXJDDOSLWJX-KRWDZBQOSA-N 0 3 338.473 1.836 40 0 EDABHN Cn1cc(N2C[C@]3(CCN(Cc4ccccc4)C3)N(C)CC2=O)cn1 ZINC000096230536 442097310 /nfs/dbraw/zinc/09/73/10/442097310.db2.gz DHQJASZGVXDVEK-LJQANCHMSA-N 0 3 339.443 1.343 40 0 EDABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000096245461 442102036 /nfs/dbraw/zinc/10/20/36/442102036.db2.gz RABHZDVKGUUOHM-GJZGRUSLSA-N 0 3 334.391 1.669 40 0 EDABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)CC1 ZINC000257244433 443125544 /nfs/dbraw/zinc/12/55/44/443125544.db2.gz ILHFDWFUDMBMOP-FRFSOERESA-N 0 3 344.459 1.991 40 0 EDABHN c1cc2n(n1)C[C@H](CNc1ncccn1)CN(CC1CCOCC1)C2 ZINC000306136744 444287244 /nfs/dbraw/zinc/28/72/44/444287244.db2.gz QBTWCWPWPHEZBG-MRXNPFEDSA-N 0 3 342.447 1.644 40 0 EDABHN CC(C)CN(Cc1cccn1-c1ccccn1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292302 448735692 /nfs/dbraw/zinc/73/56/92/448735692.db2.gz ZWZBIUVJCQPPLV-LMMKCTJWSA-N 0 3 345.443 1.451 40 0 EDABHN c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)nc(N2CCCC2)n1 ZINC000036741515 202330936 /nfs/dbraw/zinc/33/09/36/202330936.db2.gz OFRYJYDNBNQRGR-KRWDZBQOSA-N 0 3 345.491 1.621 40 0 EDABHN Cc1cnc(C(=O)NCc2nccnc2C2CCN(C)CC2)cn1 ZINC000257229736 244210023 /nfs/dbraw/zinc/21/00/23/244210023.db2.gz FZHMLHQRGJIGCL-UHFFFAOYSA-N 0 3 326.404 1.314 40 0 EDABHN Cc1cc(CCC(=O)NCC2(C)COC2)nc(C2CCN(C)CC2)n1 ZINC000072366861 203208158 /nfs/dbraw/zinc/20/81/58/203208158.db2.gz WVFJKUYBRGJPMC-UHFFFAOYSA-N 0 3 346.475 1.680 40 0 EDABHN CCn1cc(CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)cn1 ZINC000257248999 244262459 /nfs/dbraw/zinc/26/24/59/244262459.db2.gz JGFZDCWXLAWVIA-QGZVFWFLSA-N 0 3 327.432 1.409 40 0 EDABHN CNC(=O)c1cccc([C@@H]2CN(C3CCN(C)CC3)CCN2C)c1 ZINC000257254016 244274859 /nfs/dbraw/zinc/27/48/59/244274859.db2.gz KBGABUOGFVBGJK-SFHVURJKSA-N 0 3 330.476 1.429 40 0 EDABHN NC(=O)c1cc(C[C@H]2CCCN(Cc3ccccn3)CC2)ncn1 ZINC000257266771 244364382 /nfs/dbraw/zinc/36/43/82/244364382.db2.gz MEMJJBNORHLYFZ-AWEZNQCLSA-N 0 3 325.416 1.815 40 0 EDABHN CNCC(=O)N1CC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000257274040 244385255 /nfs/dbraw/zinc/38/52/55/244385255.db2.gz NJHJSRSTGGEUOB-ZDUSSCGKSA-N 0 3 326.404 1.459 40 0 EDABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1CCN1CCOCC1 ZINC000107198504 204226884 /nfs/dbraw/zinc/22/68/84/204226884.db2.gz DZSQHQJCMDKEMK-ZWKOTPCHSA-N 0 3 347.434 1.333 40 0 EDABHN Cn1nccc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108534937 204266713 /nfs/dbraw/zinc/26/67/13/204266713.db2.gz PNAMMCLSYFLJBK-AEFFLSMTSA-N 0 3 332.448 1.271 40 0 EDABHN CN1CCN(c2ncnc3c2CCN(Cc2ccccn2)CC3)CC1 ZINC000096255679 277115367 /nfs/dbraw/zinc/11/53/67/277115367.db2.gz JKWGVLQVECAMRA-UHFFFAOYSA-N 0 3 338.459 1.224 40 0 EDABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108525507 441459212 /nfs/dbraw/zinc/45/92/12/441459212.db2.gz MGADSNVINHDKGA-GDBMZVCRSA-N 0 3 338.402 1.890 40 0 EDABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096039764 441984816 /nfs/dbraw/zinc/98/48/16/441984816.db2.gz IFWKTTDIVZIONC-MJGOQNOKSA-N 0 3 347.459 1.558 40 0 EDABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1)N1CCCO1 ZINC000096041266 441988486 /nfs/dbraw/zinc/98/84/86/441988486.db2.gz RIWJSDZYEVSLON-RCCFBDPRSA-N 0 3 330.428 1.872 40 0 EDABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)o1 ZINC000096056400 442003420 /nfs/dbraw/zinc/00/34/20/442003420.db2.gz NCWUZGHIRGPCOX-BRWVUGGUSA-N 0 3 336.432 1.815 40 0 EDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3cccs3)C2)O1 ZINC000096063338 442011126 /nfs/dbraw/zinc/01/11/26/442011126.db2.gz YYJCYROHAKEEQE-YOEHRIQHSA-N 0 3 338.473 1.629 40 0 EDABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)c1cccs1)CC2 ZINC000096067736 442016595 /nfs/dbraw/zinc/01/65/95/442016595.db2.gz FZSGZXPAJOZPEP-UHFFFAOYSA-N 0 3 345.468 1.712 40 0 EDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccccn3)C[C@@H]21)c1ccno1 ZINC000096185495 442059215 /nfs/dbraw/zinc/05/92/15/442059215.db2.gz DUKCYBFWDUYUPW-JLJPHGGASA-N 0 3 342.399 1.337 40 0 EDABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 ZINC000096185574 442060126 /nfs/dbraw/zinc/06/01/26/442060126.db2.gz JHLFGERMRDIERR-VYDXJSESSA-N 0 3 349.500 1.690 40 0 EDABHN CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096217017 442087772 /nfs/dbraw/zinc/08/77/72/442087772.db2.gz YKLXSWAQGBZCOV-CQSZACIVSA-N 0 3 344.502 1.668 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)CN)cc1 ZINC000252513927 443039439 /nfs/dbraw/zinc/03/94/39/443039439.db2.gz AXBGAARAMWESOR-GVDBMIGSSA-N 0 3 334.416 1.730 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cccn2C)C1 ZINC000257316494 443144199 /nfs/dbraw/zinc/14/41/99/443144199.db2.gz VFWJWNORKYPASS-IBGZPJMESA-N 0 3 345.418 1.873 40 0 EDABHN NC(=O)CCN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257317362 443144626 /nfs/dbraw/zinc/14/46/26/443144626.db2.gz VJLXCORKXLUNJV-PMPSAXMXSA-N 0 3 333.407 1.875 40 0 EDABHN CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585111780 448692163 /nfs/dbraw/zinc/69/21/63/448692163.db2.gz BSIHYCXKXPXOPY-HNNXBMFYSA-N 0 3 326.466 1.466 40 0 EDABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1 ZINC000585097507 448682665 /nfs/dbraw/zinc/68/26/65/448682665.db2.gz MNUHZKJQRHEJJU-AWEZNQCLSA-N 0 3 329.404 1.690 40 0 EDABHN CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(CC1CC1)CC2 ZINC000585100738 448684877 /nfs/dbraw/zinc/68/48/77/448684877.db2.gz VAVGYSLBCILOCC-INIZCTEOSA-N 0 3 328.478 1.288 40 0 EDABHN Cc1ccc(C)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1C ZINC000585287189 448732446 /nfs/dbraw/zinc/73/24/46/448732446.db2.gz KIXLFFBEHVSRPU-ICSRJNTNSA-N 0 3 349.471 1.967 40 0 EDABHN CC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000257254989 534780492 /nfs/dbraw/zinc/78/04/92/534780492.db2.gz KFQXNCYFVHMGCR-GOSISDBHSA-N 0 3 329.444 1.760 40 0 EDABHN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218096371 536947923 /nfs/dbraw/zinc/94/79/23/536947923.db2.gz ZOWPSFGVHIFVRO-GVDBMIGSSA-N 0 3 332.425 1.291 40 0 EDABHN C[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497865 202009268 /nfs/dbraw/zinc/00/92/68/202009268.db2.gz VGCPWXJXJIRKQZ-CXAGYDPISA-N 0 3 338.473 1.917 40 0 EDABHN Cc1c[nH]nc1C[C@H]1CCCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257217737 244175546 /nfs/dbraw/zinc/17/55/46/244175546.db2.gz DAJQDWKPDZRRJL-CQSZACIVSA-N 0 3 340.493 1.397 40 0 EDABHN Cn1cncc1CN1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000257208012 244141315 /nfs/dbraw/zinc/14/13/15/244141315.db2.gz BKHLXZXVOWOCPB-QGZVFWFLSA-N 0 3 327.432 1.824 40 0 EDABHN O=C(Cc1ccsc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257270385 244376759 /nfs/dbraw/zinc/37/67/59/244376759.db2.gz MUANDQNLNHRFJB-OAHLLOKOSA-N 0 3 344.427 1.985 40 0 EDABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 ZINC000108534581 204266990 /nfs/dbraw/zinc/26/69/90/204266990.db2.gz INCKVZFYQKEJDL-INIZCTEOSA-N 0 3 332.448 1.866 40 0 EDABHN CC[C@@H](Oc1ccccc1F)C(=O)NCCCN1CCN(C)CC1 ZINC000177479208 207342419 /nfs/dbraw/zinc/34/24/19/207342419.db2.gz SOSNDCPPPPWUKG-MRXNPFEDSA-N 0 3 337.439 1.737 40 0 EDABHN C[C@@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 ZINC000096201535 278044417 /nfs/dbraw/zinc/04/44/17/278044417.db2.gz APNDJRRRQDZEEG-AWEZNQCLSA-N 0 3 349.431 1.063 40 0 EDABHN C[C@H]1CCc2c(sc3ncn4c(nn(CCN(C)C)c4=O)c23)C1 ZINC000012240219 441129449 /nfs/dbraw/zinc/12/94/49/441129449.db2.gz TZGNQHGUZRZPAP-JTQLQIEISA-N 0 3 331.445 1.792 40 0 EDABHN COCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000097953674 441147603 /nfs/dbraw/zinc/14/76/03/441147603.db2.gz UFCFNDOKPOVEOI-NUEKZKHPSA-N 0 3 338.473 1.533 40 0 EDABHN Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013672146 441163306 /nfs/dbraw/zinc/16/33/06/441163306.db2.gz PVJHKMJDRAUJGS-UHFFFAOYSA-N 0 3 339.461 1.071 40 0 EDABHN Cn1cc(CN2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)cn1 ZINC000096052177 442002284 /nfs/dbraw/zinc/00/22/84/442002284.db2.gz MCODFEBBTWJXOH-MRXNPFEDSA-N 0 3 332.448 1.271 40 0 EDABHN Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054383 442001153 /nfs/dbraw/zinc/00/11/53/442001153.db2.gz ISHCBBCRWNCQOU-SJORKVTESA-N 0 3 333.432 1.209 40 0 EDABHN NCC(=O)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392983 442044783 /nfs/dbraw/zinc/04/47/83/442044783.db2.gz IKPIEFGATXSBOC-MRXNPFEDSA-N 0 3 331.416 1.737 40 0 EDABHN CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3cccs3)C[C@@H]21 ZINC000096185443 442059238 /nfs/dbraw/zinc/05/92/38/442059238.db2.gz PUEQYGNKTSGNAA-FPMFFAJLSA-N 0 3 330.475 1.134 40 0 EDABHN O=c1ccc2c(n1Cc1cccnc1)CCN([C@H]1CCOC1)CC2 ZINC000096196715 442069609 /nfs/dbraw/zinc/06/96/09/442069609.db2.gz CLFQYICBICSSLP-KRWDZBQOSA-N 0 3 325.412 1.481 40 0 EDABHN CCS(=O)(=O)N1CC[C@@H](N(C)C(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200948 442075799 /nfs/dbraw/zinc/07/57/99/442075799.db2.gz XNVSSWQRQFFUOQ-CABCVRRESA-N 0 3 328.482 1.095 40 0 EDABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)o1 ZINC000096206801 442080428 /nfs/dbraw/zinc/08/04/28/442080428.db2.gz VGYHXYNTRVQWOE-AEFFLSMTSA-N 0 3 336.432 1.816 40 0 EDABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096207518 442081589 /nfs/dbraw/zinc/08/15/89/442081589.db2.gz YBVJINRBZGNMHS-OAHLLOKOSA-N 0 3 338.473 1.808 40 0 EDABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@H]2OC ZINC000096208962 442084175 /nfs/dbraw/zinc/08/41/75/442084175.db2.gz BQKVRDIQERJHLS-ARFHVFGLSA-N 0 3 342.436 1.555 40 0 EDABHN CC(C)n1cnc2c1C[C@H](C(=O)NCCN(C)C)C(=O)N2CC1CC1 ZINC000096264840 442109608 /nfs/dbraw/zinc/10/96/08/442109608.db2.gz HFGRUXXFKFYESA-CQSZACIVSA-N 0 3 347.463 1.057 40 0 EDABHN Cc1nc(N2CCCC2)nc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096254729 442105730 /nfs/dbraw/zinc/10/57/30/442105730.db2.gz VWZFPAYEHUWUKU-UHFFFAOYSA-N 0 3 326.448 1.720 40 0 EDABHN O=C([C@H]1CCCO1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000247943151 442874479 /nfs/dbraw/zinc/87/44/79/442874479.db2.gz QHRFWIMKLXQDEJ-AEFFLSMTSA-N 0 3 334.416 1.510 40 0 EDABHN Cc1nc(CO[C@@H]2CO[C@]3(C2)CCCN(C[C@H](C)O)C3)cs1 ZINC000248032686 442878514 /nfs/dbraw/zinc/87/85/14/442878514.db2.gz MLTMFYUSEWZAMG-RCBQFDQVSA-N 0 3 326.462 1.972 40 0 EDABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 ZINC000223288827 443086947 /nfs/dbraw/zinc/08/69/47/443086947.db2.gz LATCFVIRTYSLTD-HZPDHXFCSA-N 0 3 329.473 1.954 40 0 EDABHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCCCC2)c1 ZINC000224265026 443098159 /nfs/dbraw/zinc/09/81/59/443098159.db2.gz UCVBCBPLAOKAAW-UHFFFAOYSA-N 0 3 340.445 1.628 40 0 EDABHN Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257306035 443139260 /nfs/dbraw/zinc/13/92/60/443139260.db2.gz SSQAHSGAOFVOOE-MRXNPFEDSA-N 0 3 328.416 1.993 40 0 EDABHN CN(C)Cc1cnc(CC2CCN(Cc3cncnc3)CC2)cn1 ZINC000257315218 443143762 /nfs/dbraw/zinc/14/37/62/443143762.db2.gz VAKQUOYZBVAXKP-UHFFFAOYSA-N 0 3 326.448 1.783 40 0 EDABHN CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257318629 443145140 /nfs/dbraw/zinc/14/51/40/443145140.db2.gz VOTWMJKKBDCUMJ-BDXSIMOUSA-N 0 3 336.407 1.697 40 0 EDABHN CN(C)CCN1CC[C@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 ZINC000306124492 444284517 /nfs/dbraw/zinc/28/45/17/444284517.db2.gz BRMNAQXVWFWGNT-OLZOCXBDSA-N 0 3 329.491 1.147 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306127550 444285847 /nfs/dbraw/zinc/28/58/47/444285847.db2.gz GBNHLNNBTXDALT-ZIAGYGMSSA-N 0 3 329.404 1.314 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 ZINC000514290315 448162284 /nfs/dbraw/zinc/16/22/84/448162284.db2.gz XDZIHGLYZPWHJT-ZWKOTPCHSA-N 0 3 330.476 1.043 40 0 biogenic,in-vitro EDABHN CN(C)C[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 ZINC000585098585 448683713 /nfs/dbraw/zinc/68/37/13/448683713.db2.gz ZLVVXPVILTZKIR-OAHLLOKOSA-N 0 3 346.406 1.764 40 0 EDABHN O=C(c1cncs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257200712 244117668 /nfs/dbraw/zinc/11/76/68/244117668.db2.gz AEOWMTXQBMRWSZ-ZDUSSCGKSA-N 0 3 331.388 1.451 40 0 EDABHN Cc1c[nH]nc1C[C@@H]1CCCN(C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257217736 244173035 /nfs/dbraw/zinc/17/30/35/244173035.db2.gz DAJQDWKPDZRRJL-AWEZNQCLSA-N 0 3 340.493 1.397 40 0 EDABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccncc2)C1 ZINC000257252198 244273587 /nfs/dbraw/zinc/27/35/87/244273587.db2.gz JTWYLHDDZLTOHR-IBGZPJMESA-N 0 3 343.402 1.930 40 0 EDABHN Cc1ccc2oc(=O)n(CC(=O)N(C)CCN3CCCCC3)c2c1 ZINC000012206161 211320355 /nfs/dbraw/zinc/32/03/55/211320355.db2.gz KIVMRKFLUQRESU-UHFFFAOYSA-N 0 3 331.416 1.847 40 0 EDABHN O=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccco1)C2 ZINC000096067692 218565306 /nfs/dbraw/zinc/56/53/06/218565306.db2.gz WYBRSXUSEYYMLS-INIZCTEOSA-N 0 3 338.411 1.985 40 0 EDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cscn2)C1 ZINC000096188976 218657500 /nfs/dbraw/zinc/65/75/00/218657500.db2.gz YCYXMYUHDLKEOJ-ZDUSSCGKSA-N 0 3 349.460 1.190 40 0 EDABHN Cc1cnc(C(=O)N2Cc3ccccc3O[C@H](CN(C)C)C2)cn1 ZINC000012235112 279008869 /nfs/dbraw/zinc/00/88/69/279008869.db2.gz ZQMXFKUGLHIPAS-OAHLLOKOSA-N 0 3 326.400 1.750 40 0 EDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 ZINC000019752321 441259845 /nfs/dbraw/zinc/25/98/45/441259845.db2.gz HMBKYHWRTOEBEZ-HNNXBMFYSA-N 0 3 325.416 1.743 40 0 EDABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 ZINC000107191953 441402763 /nfs/dbraw/zinc/40/27/63/441402763.db2.gz ZWHQRVWQUIRWGC-PKOBYXMFSA-N 0 3 329.444 1.728 40 0 EDABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3cccs3)CC2)C1 ZINC000108527109 441458996 /nfs/dbraw/zinc/45/89/96/441458996.db2.gz RTJKXBQTJRZNLT-ZDUSSCGKSA-N 0 3 344.502 1.811 40 0 EDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536526 441461574 /nfs/dbraw/zinc/46/15/74/441461574.db2.gz MGADSNVINHDKGA-ZBFHGGJFSA-N 0 3 338.402 1.890 40 0 EDABHN O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096040770 441987166 /nfs/dbraw/zinc/98/71/66/441987166.db2.gz HOXILZGUQRTINF-NXHRZFHOSA-N 0 3 341.411 1.685 40 0 EDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21)N1CCCC1 ZINC000096057213 442005542 /nfs/dbraw/zinc/00/55/42/442005542.db2.gz QVNLKOPCZWCBAT-KURKYZTESA-N 0 3 329.444 1.789 40 0 EDABHN Cc1noc(C)c1CN1C[C@@H]2CCN(c3cnn(C)c3)C(=O)[C@@H]2C1 ZINC000096082120 442023722 /nfs/dbraw/zinc/02/37/22/442023722.db2.gz CBHZPXCVQQMGKM-XJKSGUPXSA-N 0 3 329.404 1.510 40 0 EDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(C)n1)CC[C@@H]2OC ZINC000096109426 442035287 /nfs/dbraw/zinc/03/52/87/442035287.db2.gz VWLHPJPLBRLNHT-UAGQMJEPSA-N 0 3 333.432 1.198 40 0 EDABHN CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(Cc3cncn3C)C2)C1 ZINC000096219871 442092129 /nfs/dbraw/zinc/09/21/29/442092129.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 0 3 341.459 1.681 40 0 EDABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157413 442048639 /nfs/dbraw/zinc/04/86/39/442048639.db2.gz JLAKJVLUNAJQOV-UHFFFAOYSA-N 0 3 337.427 2.000 40 0 EDABHN Cc1nc(CN2CCOC[C@@]3(CCCN(CCO)C3)C2)cs1 ZINC000096229367 442096327 /nfs/dbraw/zinc/09/63/27/442096327.db2.gz MWXRMNHHFDNOFY-MRXNPFEDSA-N 0 3 325.478 1.358 40 0 EDABHN Cc1noc(C)c1CNC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC000096199229 442072628 /nfs/dbraw/zinc/07/26/28/442072628.db2.gz SJGXTNIQRXSDRB-CQSZACIVSA-N 0 3 340.387 1.634 40 0 EDABHN COc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCO3)C2)cc1 ZINC000096208544 442083828 /nfs/dbraw/zinc/08/38/28/442083828.db2.gz YLOAUBKYKDGYPD-APWZRJJASA-N 0 3 346.427 1.698 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cn1 ZINC000096209912 442085967 /nfs/dbraw/zinc/08/59/67/442085967.db2.gz WLMCZMLOLSBTDU-HNNXBMFYSA-N 0 3 334.420 1.098 40 0 EDABHN COCC(=O)N1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC000096240371 442099759 /nfs/dbraw/zinc/09/97/59/442099759.db2.gz WWLVRCUUBJBFFF-KRWDZBQOSA-N 0 3 347.459 1.558 40 0 EDABHN CCc1nc(C)c(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)[nH]1 ZINC000257200212 443124540 /nfs/dbraw/zinc/12/45/40/443124540.db2.gz ACKSPULEEBOSMC-QILLFSRXSA-N 0 3 334.464 1.474 40 0 EDABHN Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12 ZINC000306126291 444285337 /nfs/dbraw/zinc/28/53/37/444285337.db2.gz DRSXUXDPCOCTEW-JGGQBBKZSA-N 0 3 346.456 1.358 40 0 EDABHN CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000298117953 444420981 /nfs/dbraw/zinc/42/09/81/444420981.db2.gz SMJLIZBWEYHWID-HNNXBMFYSA-N 0 3 333.432 1.302 40 0 EDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000298131334 444424509 /nfs/dbraw/zinc/42/45/09/444424509.db2.gz HORVRAYTLFDCPX-HNNXBMFYSA-N 0 3 337.851 1.599 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccc2)cc(-c2ccccn2)n1 ZINC000329041960 444455483 /nfs/dbraw/zinc/45/54/83/444455483.db2.gz SLQLQQYVUMTQON-UHFFFAOYSA-N 0 3 348.454 1.968 40 0 EDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289247 448160253 /nfs/dbraw/zinc/16/02/53/448160253.db2.gz KEDLPAINEUOVJI-RBUKOAKNSA-N 0 3 329.488 1.648 40 0 biogenic,in-vitro EDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCC2)[C@H]1O ZINC000514288827 448161161 /nfs/dbraw/zinc/16/11/61/448161161.db2.gz FQDBGLXPHGLBJX-OKZBNKHCSA-N 0 3 332.444 1.206 40 0 biogenic,in-vitro EDABHN CC(C)CN1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100618 448685528 /nfs/dbraw/zinc/68/55/28/448685528.db2.gz QGJQULHZGFFOKU-INIZCTEOSA-N 0 3 330.494 1.534 40 0 EDABHN CNC(=O)C[C@@]1(COC)CCCN1Cc1cnn2c1nc(C)cc2C ZINC000585279026 448727897 /nfs/dbraw/zinc/72/78/97/448727897.db2.gz RZGARMXNFFPXML-GOSISDBHSA-N 0 3 345.447 1.463 40 0 EDABHN CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585282037 448730425 /nfs/dbraw/zinc/73/04/25/448730425.db2.gz WRZFPNUZKZFZGD-IBGZPJMESA-N 0 3 332.444 1.822 40 0 EDABHN COc1ccc([C@@H]2N=C(SCC(=O)NC(C)(C)C)NC(=N)N2)cc1 ZINC000261526832 486018993 /nfs/dbraw/zinc/01/89/93/486018993.db2.gz MSLQMUWVDCGAKI-ZDUSSCGKSA-N 0 3 349.460 1.616 40 0 EDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218461887 535596358 /nfs/dbraw/zinc/59/63/58/535596358.db2.gz LMTPREMMWVSIDW-OBJOEFQTSA-N 0 3 331.821 1.359 40 0 EDABHN CN(C)c1cccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257245269 536151773 /nfs/dbraw/zinc/15/17/73/536151773.db2.gz IOSLZHZKLFFARU-QGZVFWFLSA-N 0 3 346.475 1.922 40 0 EDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cscn2)CC3)C1 ZINC000072368624 216176463 /nfs/dbraw/zinc/17/64/63/216176463.db2.gz LDKYONWRRFTEPD-LBPRGKRZSA-N 0 3 346.460 1.242 40 0 EDABHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000073460688 216387764 /nfs/dbraw/zinc/38/77/64/216387764.db2.gz OFNKOMNZSQVFDF-UHFFFAOYSA-N 0 3 326.418 1.237 40 0 EDABHN C[C@H]1[C@H](CCN2CCCCC2)COCCN1S(=O)(=O)N(C)C ZINC000247952027 291303297 /nfs/dbraw/zinc/30/32/97/291303297.db2.gz MNLQSUXDYMBGJV-LSDHHAIUSA-N 0 3 333.498 1.006 40 0 EDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)C2(CN)CN)cc1 ZINC000218455310 241324401 /nfs/dbraw/zinc/32/44/01/241324401.db2.gz NXXLAGDSIPPKEW-DLBZAZTESA-N 0 3 348.443 1.978 40 0 EDABHN O=C1CO[C@H]2CN(CCCc3ccccc3)C[C@@H]2N1C1CCOCC1 ZINC000257227459 244204631 /nfs/dbraw/zinc/20/46/31/244204631.db2.gz FPKCINSOCXOXAJ-OALUTQOASA-N 0 3 344.455 1.710 40 0 EDABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000257229484 244207673 /nfs/dbraw/zinc/20/76/73/244207673.db2.gz FYHKINDRHHYHSF-GFCCVEGCSA-N 0 3 335.433 1.343 40 0 EDABHN O[C@@H]1[C@H](NCc2cncs2)CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000257236632 244230496 /nfs/dbraw/zinc/23/04/96/244230496.db2.gz HDAMTFMRCYKRAV-KLHDSHLOSA-N 0 3 338.404 1.704 40 0 EDABHN CN(C)c1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 ZINC000257277070 244394253 /nfs/dbraw/zinc/39/42/53/244394253.db2.gz NWHZTUYYFXRFCG-KRWDZBQOSA-N 0 3 349.475 1.323 40 0 EDABHN Cc1c(CN2CCC[C@@H](NC(=O)c3cnccn3)CC2)cnn1C ZINC000019745554 212060135 /nfs/dbraw/zinc/06/01/35/212060135.db2.gz ATEAFWUYGHWVAS-OAHLLOKOSA-N 0 3 328.420 1.303 40 0 EDABHN O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158071 218631884 /nfs/dbraw/zinc/63/18/84/218631884.db2.gz UIVVIMRXKUMEGD-VQIMIIECSA-N 0 3 329.444 1.933 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065021 289170764 /nfs/dbraw/zinc/17/07/64/289170764.db2.gz DPBVLBJZRJBCRS-FUHWJXTLSA-N 0 3 348.447 1.066 40 0 EDABHN COCCn1nnnc1[C@H](C(C)C)N1CCN(C2CCCC2)CC1 ZINC000019446013 292741121 /nfs/dbraw/zinc/74/11/21/292741121.db2.gz AGSOBQVZGWFWEQ-INIZCTEOSA-N 0 3 336.484 1.577 40 0 EDABHN COc1ccc2c3c1O[C@H]1[C@@]34CCN(C)[C@@H](C2)[C@H]4C[C@@H](O)[C@@]1(C)O ZINC000004972554 295278631 /nfs/dbraw/zinc/27/86/31/295278631.db2.gz FDQOEXDFLWOOAL-LJAFWFKGSA-N 0 3 331.412 1.086 40 0 EDABHN O=C1CCCN1C[C@H](O)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000304207590 303750030 /nfs/dbraw/zinc/75/00/30/303750030.db2.gz ZIQRHFWSMONKOD-OAHLLOKOSA-N 0 3 336.407 1.652 40 0 EDABHN Cc1ccccc1CSCC(=O)NCCCN1CCN(C)CC1 ZINC000022829334 441285773 /nfs/dbraw/zinc/28/57/73/441285773.db2.gz FRQIAEJKKUQCHM-UHFFFAOYSA-N 0 3 335.517 1.982 40 0 EDABHN Cc1occc1C(=O)N1Cc2nnn(C)c2[C@H](COCCN(C)C)C1 ZINC000096060678 442007661 /nfs/dbraw/zinc/00/76/61/442007661.db2.gz JHGIWFTWCJBGEN-ZDUSSCGKSA-N 0 3 347.419 1.034 40 0 EDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccncc1)C2 ZINC000096060872 442008752 /nfs/dbraw/zinc/00/87/52/442008752.db2.gz LNIGINRCULHNSV-MRXNPFEDSA-N 0 3 344.463 1.371 40 0 EDABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)o1 ZINC000096066426 442013844 /nfs/dbraw/zinc/01/38/44/442013844.db2.gz LCVNFUIXFFWQCI-BRWVUGGUSA-N 0 3 334.416 1.979 40 0 EDABHN O=C(NCc1cccnc1)C1=NO[C@]2(CCN(CC3CCC3)C2)C1 ZINC000096074530 442019797 /nfs/dbraw/zinc/01/97/97/442019797.db2.gz DDFZJAKPXHWVNY-GOSISDBHSA-N 0 3 328.416 1.719 40 0 EDABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096108296 442032220 /nfs/dbraw/zinc/03/22/20/442032220.db2.gz FZPFJNPSYDZOKI-KDOFPFPSSA-N 0 3 347.415 1.135 40 0 EDABHN CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)CC1 ZINC000096111917 442035795 /nfs/dbraw/zinc/03/57/95/442035795.db2.gz GQGQKWBUQVFQRW-RDJZCZTQSA-N 0 3 343.427 1.496 40 0 biogenic,in-vitro EDABHN CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN([C@H]1CCOC1)CC2 ZINC000096187433 442064187 /nfs/dbraw/zinc/06/41/87/442064187.db2.gz SDAFGSHXDWDABY-AWEZNQCLSA-N 0 3 341.415 1.224 40 0 EDABHN COCCO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200640 442075064 /nfs/dbraw/zinc/07/50/64/442075064.db2.gz LXBPWRCBAVSMTR-IRXDYDNUSA-N 0 3 333.436 1.002 40 0 EDABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(Cc1cncn1C)CC2 ZINC000096217724 442087823 /nfs/dbraw/zinc/08/78/23/442087823.db2.gz IENSRWXDDXHLNA-GOSISDBHSA-N 0 3 333.480 1.329 40 0 EDABHN COc1ccc(CN2C(=O)CO[C@@H]3CN(C[C@H]4CCOC4)C[C@H]32)cc1 ZINC000096246438 442102217 /nfs/dbraw/zinc/10/22/17/442102217.db2.gz UKUZLLQYVKUMSK-KBAYOESNSA-N 0 3 346.427 1.143 40 0 EDABHN COCCN1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 ZINC000096249615 442103304 /nfs/dbraw/zinc/10/33/04/442103304.db2.gz OXJNGPUUZYUTTE-HUUCEWRRSA-N 0 3 338.473 1.866 40 0 EDABHN COc1ncccc1C(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257343334 443155475 /nfs/dbraw/zinc/15/54/75/443155475.db2.gz ZSMCWNOLGWJABW-UHFFFAOYSA-N 0 3 341.415 1.619 40 0 EDABHN O=C(c1ncccn1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000306141216 444287512 /nfs/dbraw/zinc/28/75/12/444287512.db2.gz VONRDTNPEOIZQB-HNNXBMFYSA-N 0 3 326.404 1.356 40 0 EDABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(C2CC2)n1 ZINC000328984493 444433972 /nfs/dbraw/zinc/43/39/72/444433972.db2.gz HNGLXEKGAYXMGH-UHFFFAOYSA-N 0 3 329.423 1.923 40 0 EDABHN CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(CC1CC1)CC2 ZINC000585100739 448685033 /nfs/dbraw/zinc/68/50/33/448685033.db2.gz VAVGYSLBCILOCC-MRXNPFEDSA-N 0 3 328.478 1.288 40 0 EDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCO2)C1 ZINC000097953377 219064097 /nfs/dbraw/zinc/06/40/97/219064097.db2.gz ZLPGMAICWQLBBA-NVXWUHKLSA-N 0 3 335.404 1.436 40 0 EDABHN Cc1nn(C)cc1CN1CC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000072392092 216190643 /nfs/dbraw/zinc/19/06/43/216190643.db2.gz CSNQPUOBMJWNJA-KRWDZBQOSA-N 0 3 326.444 1.909 40 0 EDABHN Cn1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019290942 212011630 /nfs/dbraw/zinc/01/16/30/212011630.db2.gz FWXSIODPEXKVBH-OAHLLOKOSA-N 0 3 326.404 1.175 40 0 EDABHN C[C@H](N)C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000079391349 217219424 /nfs/dbraw/zinc/21/94/24/217219424.db2.gz QNCHWKGDKDWCJE-LBPRGKRZSA-N 0 3 325.453 1.972 40 0 EDABHN CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 ZINC000072383028 277263988 /nfs/dbraw/zinc/26/39/88/277263988.db2.gz ATLXRAUAYDIRMH-CQSZACIVSA-N 0 3 340.431 1.767 40 0 EDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 ZINC000218399535 280971108 /nfs/dbraw/zinc/97/11/08/280971108.db2.gz GURMLFBGOVMKKE-SQNIBIBYSA-N 0 3 331.437 1.872 40 0 EDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21)N1CCCCO1 ZINC000096043380 441993043 /nfs/dbraw/zinc/99/30/43/441993043.db2.gz XCRDDWQFJFRBJN-FGTMMUONSA-N 0 3 345.443 1.863 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039566 441985410 /nfs/dbraw/zinc/98/54/10/441985410.db2.gz RDAGUBQWWHPTKJ-HKUYNNGSSA-N 0 3 336.476 1.929 40 0 EDABHN O=C([C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC000096038873 441986044 /nfs/dbraw/zinc/98/60/44/441986044.db2.gz YDBSECBYNWXTPW-ARFHVFGLSA-N 0 3 336.457 1.444 40 0 EDABHN COc1ccccc1CN1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096065259 442012930 /nfs/dbraw/zinc/01/29/30/442012930.db2.gz YQKMHXIKRHAWKA-ZACQAIPSSA-N 0 3 346.427 1.554 40 0 EDABHN c1ccc(CN2CCC[C@]3(C[C@H](CN4CCOCC4)CO3)C2)nc1 ZINC000096075547 442021452 /nfs/dbraw/zinc/02/14/52/442021452.db2.gz BPLOUSSOLLXXLJ-MJGOQNOKSA-N 0 3 331.460 1.785 40 0 EDABHN Cn1cc(CN2CCC3(CCN(Cc4ccccn4)C3=O)CC2)cn1 ZINC000096157858 442048390 /nfs/dbraw/zinc/04/83/90/442048390.db2.gz RBEUYEOPEFJSES-UHFFFAOYSA-N 0 3 339.443 1.830 40 0 EDABHN O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1CCN1CCOCC1 ZINC000096183949 442057771 /nfs/dbraw/zinc/05/77/71/442057771.db2.gz JXKWAHLKVCOIOS-CVEARBPZSA-N 0 3 335.473 1.256 40 0 EDABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096228834 442096317 /nfs/dbraw/zinc/09/63/17/442096317.db2.gz NCVBESTXLUWSSL-LJQANCHMSA-N 0 3 346.475 1.198 40 0 EDABHN CN1CCN(Cc2cnc3n2CCN(Cc2ccoc2)CC3)CC1 ZINC000096196924 442070391 /nfs/dbraw/zinc/07/03/91/442070391.db2.gz LYGQKBDVPBSCQS-UHFFFAOYSA-N 0 3 329.448 1.282 40 0 EDABHN O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)N1CCOCC1 ZINC000096209159 442084977 /nfs/dbraw/zinc/08/49/77/442084977.db2.gz MRCWKFAXYXSZPS-KZNAEPCWSA-N 0 3 345.443 1.167 40 0 EDABHN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(CC2CC2)C1 ZINC000096244589 442100078 /nfs/dbraw/zinc/10/00/78/442100078.db2.gz WHSUIGZONDXMSP-IBGZPJMESA-N 0 3 344.459 1.505 40 0 EDABHN O=C1CCCN1C[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000248003603 442876995 /nfs/dbraw/zinc/87/69/95/442876995.db2.gz RRMXGXWTBCVCSY-MRXNPFEDSA-N 0 3 332.448 1.364 40 0 EDABHN CN(CC(=O)N1CCOC[C@H]1CCc1cnccn1)C1CCCC1 ZINC000257291605 443133808 /nfs/dbraw/zinc/13/38/08/443133808.db2.gz QHUQIXAJAQDTIL-QGZVFWFLSA-N 0 3 332.448 1.511 40 0 EDABHN Cc1cccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1 ZINC000257314660 443143612 /nfs/dbraw/zinc/14/36/12/443143612.db2.gz UXYKRBYGWDPEAW-MRXNPFEDSA-N 0 3 339.386 1.698 40 0 EDABHN Cc1nc(CC(=O)NCc2nccnc2C2CCN(C)CC2)cs1 ZINC000257327283 443149416 /nfs/dbraw/zinc/14/94/16/443149416.db2.gz XAUDJRRKQONVDY-UHFFFAOYSA-N 0 3 345.472 1.910 40 0 EDABHN COCCN1C(=O)CCC[C@H]2CN(Cc3c(C)nn(C)c3C)CC[C@H]21 ZINC000257332924 443150984 /nfs/dbraw/zinc/15/09/84/443150984.db2.gz XZJCBDFKKTWSIP-FUHWJXTLSA-N 0 3 348.491 1.886 40 0 EDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 ZINC000242723180 443211935 /nfs/dbraw/zinc/21/19/35/443211935.db2.gz YFJSAXROTFWLGP-KURKYZTESA-N 0 3 346.452 1.600 40 0 EDABHN CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306129599 444285690 /nfs/dbraw/zinc/28/56/90/444285690.db2.gz IHXBLEAINWFCRN-OLZOCXBDSA-N 0 3 331.445 1.394 40 0 EDABHN CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000298117957 444421166 /nfs/dbraw/zinc/42/11/66/444421166.db2.gz SMJLIZBWEYHWID-OAHLLOKOSA-N 0 3 333.432 1.302 40 0 EDABHN CC(=O)N1CCC(N2CC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585269418 448717073 /nfs/dbraw/zinc/71/70/73/448717073.db2.gz SRFFNKOWZUHBBF-LJQANCHMSA-N 0 3 332.444 1.822 40 0 EDABHN CC(=O)N1CC[C@H](NCc2nccn2C)[C@H](Cc2ccccc2)C1 ZINC000585269323 448717247 /nfs/dbraw/zinc/71/72/47/448717247.db2.gz PEXXAIREWSDLTP-MSOLQXFVSA-N 0 3 326.444 1.989 40 0 EDABHN Cc1ccccc1OC[C@]1(O)COCCN(CC2CCOCC2)C1 ZINC000585275284 448719166 /nfs/dbraw/zinc/71/91/66/448719166.db2.gz BXHGHZAFMLGWJT-LJQANCHMSA-N 0 3 335.444 1.864 40 0 EDABHN CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000585095470 448678969 /nfs/dbraw/zinc/67/89/69/448678969.db2.gz ZAVPPHLHVFMBLG-HNNXBMFYSA-N 0 3 326.466 1.464 40 0 EDABHN CCCn1cc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)cn1 ZINC000257224930 535610076 /nfs/dbraw/zinc/61/00/76/535610076.db2.gz FDZZFECISDJBBH-INIZCTEOSA-N 0 3 332.452 1.651 40 0 EDABHN COc1cc(NC(=O)CCN(CCO)CCO)c2nccc(C)c2c1 ZINC000001664026 209776917 /nfs/dbraw/zinc/77/69/17/209776917.db2.gz LQJJPHLPMIJTIS-UHFFFAOYSA-N 0 3 347.415 1.167 40 0 EDABHN Cc1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)on1 ZINC000257269203 244371347 /nfs/dbraw/zinc/37/13/47/244371347.db2.gz MPAAKBSMICNSAJ-INIZCTEOSA-N 0 3 330.388 1.966 40 0 EDABHN O=c1cc([C@H]2CC[N@H+](CC3=CCCOC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405854 212025170 /nfs/dbraw/zinc/02/51/70/212025170.db2.gz PCKVPFVRDRSSGP-INIZCTEOSA-N 0 3 338.411 1.968 40 0 EDABHN O=c1cc([C@H]2CC[N@@H+](CC3=CCCOC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405854 212025173 /nfs/dbraw/zinc/02/51/73/212025173.db2.gz PCKVPFVRDRSSGP-INIZCTEOSA-N 0 3 338.411 1.968 40 0 EDABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079412481 217221694 /nfs/dbraw/zinc/22/16/94/217221694.db2.gz WLFVBOYDDVNHIO-MRXNPFEDSA-N 0 3 333.432 1.983 40 0 EDABHN C[C@@H]1CCc2c(sc3ncn4c(nn(CCN(C)C)c4=O)c23)C1 ZINC000012240215 274320208 /nfs/dbraw/zinc/32/02/08/274320208.db2.gz TZGNQHGUZRZPAP-SNVBAGLBSA-N 0 3 331.445 1.792 40 0 EDABHN COCCN1CCC2(CC1)C[C@@H](NC(=O)COC)c1ccccc1O2 ZINC000096242762 277219772 /nfs/dbraw/zinc/21/97/72/277219772.db2.gz GSRXQHNZBHYHKZ-MRXNPFEDSA-N 0 3 348.443 1.754 40 0 EDABHN OCCN[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001667443 440849633 /nfs/dbraw/zinc/84/96/33/440849633.db2.gz CMMXVKMSBWRYTM-QZTJIDSGSA-N 0 3 345.351 1.501 40 0 EDABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096039767 441986774 /nfs/dbraw/zinc/98/67/74/441986774.db2.gz 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/nfs/dbraw/zinc/13/53/03/443135303.db2.gz QXWPQWPKYSZVQL-HNNXBMFYSA-N 0 3 341.459 1.758 40 0 EDABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CNC(=O)c1ccccc1 ZINC000257311518 443142736 /nfs/dbraw/zinc/14/27/36/443142736.db2.gz UJWUHVQBXUPMMI-PFRQMTDMSA-N 0 3 341.455 1.890 40 0 EDABHN Cc1nn(C)cc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257228601 443125732 /nfs/dbraw/zinc/12/57/32/443125732.db2.gz FUNMHMNNWDZCPH-OAHLLOKOSA-N 0 3 342.390 1.037 40 0 EDABHN CN(C)CCN1CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 ZINC000306124491 444284605 /nfs/dbraw/zinc/28/46/05/444284605.db2.gz BRMNAQXVWFWGNT-CHWSQXEVSA-N 0 3 329.491 1.147 40 0 EDABHN CN(C)CCNc1nc(Nc2cccc(O)c2)cc(C(F)(F)F)n1 ZINC000328963742 444425932 /nfs/dbraw/zinc/42/59/32/444425932.db2.gz BPXCEWISLAZMKZ-UHFFFAOYSA-N 0 3 341.337 1.762 40 0 EDABHN Cc1cccnc1CN1CC2(C1)C[C@@H](COCC(=O)N(C)C)CN2C ZINC000585093923 448677338 /nfs/dbraw/zinc/67/73/38/448677338.db2.gz PSAKBSPGYLTGPM-MRXNPFEDSA-N 0 3 346.475 1.001 40 0 EDABHN Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@H]1CN1CCCCC1 ZINC000585094847 448677507 /nfs/dbraw/zinc/67/75/07/448677507.db2.gz PZWRMDNKURIEAW-HNNXBMFYSA-N 0 3 341.459 1.812 40 0 EDABHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)nc1 ZINC000257248806 536020049 /nfs/dbraw/zinc/02/00/49/536020049.db2.gz JFHAZURECWCLCV-CQSZACIVSA-N 0 3 343.387 1.322 40 0 EDABHN CN(C)Cc1nccnc1C1CCN(CC(=O)N2CCCCC2)CC1 ZINC000257272940 536063463 /nfs/dbraw/zinc/06/34/63/536063463.db2.gz NEMMRDCVRWUPBX-UHFFFAOYSA-N 0 3 345.491 1.730 40 0 EDABHN Cc1cc(C(=O)NCCN2CCCC2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072369318 216176558 /nfs/dbraw/zinc/17/65/58/216176558.db2.gz ZVIKFXIRQVVOQI-OAHLLOKOSA-N 0 3 331.464 1.420 40 0 EDABHN CCOc1cc(CNCCN(C)C)cc(Cl)c1OCC(N)=O ZINC000022075694 212276312 /nfs/dbraw/zinc/27/63/12/212276312.db2.gz BPNNSBSEYFRGCJ-UHFFFAOYSA-N 0 3 329.828 1.254 40 0 EDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218082732 241296045 /nfs/dbraw/zinc/29/60/45/241296045.db2.gz 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O=C([C@@H]1C[C@]2(CO1)CCCN(Cc1ccccc1)C2)N1CCOCC1 ZINC000107230323 441404929 /nfs/dbraw/zinc/40/49/29/441404929.db2.gz FWTFEXKGWPOBRQ-AZUAARDMSA-N 0 3 344.455 1.917 40 0 EDABHN c1cnc(N2CCC[C@]3(CN(CC4CCOCC4)CCO3)C2)cn1 ZINC000096049173 441998418 /nfs/dbraw/zinc/99/84/18/441998418.db2.gz ADIGDUAVZNVRDR-SFHVURJKSA-N 0 3 332.448 1.574 40 0 EDABHN Cn1cc(CN2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)cn1 ZINC000096051485 442000131 /nfs/dbraw/zinc/00/01/31/442000131.db2.gz BKNDTMHKOFWOHD-MRXNPFEDSA-N 0 3 340.431 1.385 40 0 EDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039567 441984878 /nfs/dbraw/zinc/98/48/78/441984878.db2.gz RDAGUBQWWHPTKJ-PKOBYXMFSA-N 0 3 336.476 1.929 40 0 EDABHN O=C(N[C@@H]1CN(CC2CCOCC2)C[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096040654 441986592 /nfs/dbraw/zinc/98/65/92/441986592.db2.gz URDQOPVGRVXWKF-UXLLHSPISA-N 0 3 349.431 1.310 40 0 EDABHN COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 ZINC000096057337 442005195 /nfs/dbraw/zinc/00/51/95/442005195.db2.gz 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ZINC000096185622 442060117 /nfs/dbraw/zinc/06/01/17/442060117.db2.gz RYQMMKFJDXRJRI-IKGGRYGDSA-N 0 3 325.416 1.513 40 0 EDABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCOCC2)o1 ZINC000096186316 442063187 /nfs/dbraw/zinc/06/31/87/442063187.db2.gz ZTXMIVIFCQEVAL-ROUUACIJSA-N 0 3 347.459 1.486 40 0 EDABHN Cc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)on1 ZINC000096218413 442089242 /nfs/dbraw/zinc/08/92/42/442089242.db2.gz DJVOAIYPSSUVFW-MAUKXSAKSA-N 0 3 333.432 1.804 40 0 EDABHN CCN1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@@H]2C1 ZINC000096249571 442102677 /nfs/dbraw/zinc/10/26/77/442102677.db2.gz DWIMKNIYLGZAFS-RHSMWYFYSA-N 0 3 332.400 1.598 40 0 EDABHN COC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1 ZINC000242543517 443211119 /nfs/dbraw/zinc/21/11/19/443211119.db2.gz KDGARTSPQVYESW-JHJVBQTASA-N 0 3 348.262 1.551 40 0 EDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306127548 444285592 /nfs/dbraw/zinc/28/55/92/444285592.db2.gz GBNHLNNBTXDALT-KGLIPLIRSA-N 0 3 329.404 1.314 40 0 EDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]21 ZINC000306139012 444287104 /nfs/dbraw/zinc/28/71/04/444287104.db2.gz SNDKCIVLSRPLSL-UKRRQHHQSA-N 0 3 342.399 1.027 40 0 EDABHN O[C@]1(COc2ccc(F)cc2)COCCN(C2CCOCC2)C1 ZINC000585269079 448716940 /nfs/dbraw/zinc/71/69/40/448716940.db2.gz JQLQFICTCXZHCJ-KRWDZBQOSA-N 0 3 325.380 1.447 40 0 EDABHN Nc1nccc([C@@H]2CCCN(C(=O)[C@H](N)Cc3ccc(F)cc3)C2)n1 ZINC000072355914 216164522 /nfs/dbraw/zinc/16/45/22/216164522.db2.gz IRERDQVPLDZDCY-UKRRQHHQSA-N 0 3 343.406 1.474 40 0 EDABHN Cc1cc(CCC(=O)NC2CCOCC2)nc(C2CCN(C)CC2)n1 ZINC000072366864 216172658 /nfs/dbraw/zinc/17/26/58/216172658.db2.gz SNHBMQVSYBEEPX-UHFFFAOYSA-N 0 3 346.475 1.822 40 0 EDABHN CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000022532630 212306174 /nfs/dbraw/zinc/30/61/74/212306174.db2.gz QJBNEIFFFANNQM-INIZCTEOSA-N 0 3 333.476 1.770 40 0 EDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218204060 241305643 /nfs/dbraw/zinc/30/56/43/241305643.db2.gz 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ZINC000096052223 442002157 /nfs/dbraw/zinc/00/21/57/442002157.db2.gz SUUDRIOWAKLZBP-QGZVFWFLSA-N 0 3 345.443 1.169 40 0 EDABHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(CC1CC1)C2 ZINC000096050202 441997468 /nfs/dbraw/zinc/99/74/68/441997468.db2.gz ZMTQZWHLUQAROK-GOSISDBHSA-N 0 3 328.416 1.131 40 0 EDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039530 441985112 /nfs/dbraw/zinc/98/51/12/441985112.db2.gz LTYGDNFTKVJDMB-WMZOPIPTSA-N 0 3 336.432 1.869 40 0 EDABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)cn1 ZINC000096184597 442058019 /nfs/dbraw/zinc/05/80/19/442058019.db2.gz BUYIAZAZISWPHK-SJORKVTESA-N 0 3 340.427 1.998 40 0 EDABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)o1 ZINC000096206169 442079505 /nfs/dbraw/zinc/07/95/05/442079505.db2.gz YCKGVGWGSWOTTI-NXHRZFHOSA-N 0 3 348.443 1.674 40 0 EDABHN O=S(=O)(c1cccs1)N1C[C@@H]2CN(CC3CCOCC3)C[C@@H]21 ZINC000096250904 442104896 /nfs/dbraw/zinc/10/48/96/442104896.db2.gz OOXRGLPJBSTJKO-KBPBESRZSA-N 0 3 342.486 1.479 40 0 EDABHN CN(C)CCOCc1ncn2c1CN(c1ncc(F)cn1)CCC2 ZINC000096259950 442108480 /nfs/dbraw/zinc/10/84/80/442108480.db2.gz YHKOZIABJLLJRO-UHFFFAOYSA-N 0 3 334.399 1.301 40 0 EDABHN CN(CC(=O)N1CCOC[C@@H]1CCc1cnccn1)C1CCCC1 ZINC000257291604 443133974 /nfs/dbraw/zinc/13/39/74/443133974.db2.gz QHUQIXAJAQDTIL-KRWDZBQOSA-N 0 3 332.448 1.511 40 0 EDABHN O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2cnccn2)C1 ZINC000257219633 443124135 /nfs/dbraw/zinc/12/41/35/443124135.db2.gz DHMWDEQHKKWUGK-SFHVURJKSA-N 0 3 346.406 1.556 40 0 EDABHN CC(=O)NCc1cc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)ccn1 ZINC000257281600 443129099 /nfs/dbraw/zinc/12/90/99/443129099.db2.gz OQBNNMGETSWCEN-IBGZPJMESA-N 0 3 344.459 1.866 40 0 EDABHN CC(=O)NCc1cnc(CC2CCN(Cc3cccnc3)CC2)cn1 ZINC000257333036 443151243 /nfs/dbraw/zinc/15/12/43/443151243.db2.gz XZUVZPJFQSSCMK-UHFFFAOYSA-N 0 3 339.443 1.962 40 0 EDABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 ZINC000514288974 448160397 /nfs/dbraw/zinc/16/03/97/448160397.db2.gz HOIHFJAYFSAOAS-VQTJNVASSA-N 0 3 341.499 1.934 40 0 biogenic,in-vitro EDABHN