smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(S(=O)(=O)N2CC(c3noc([C@H]4CCCN4CC4CC4)n3)C2)c1 ZINC000575541403 1076333447 /nfs/dbraw/zinc/33/34/47/1076333447.db2.gz CMCQNYYBPFZXLZ-GOSISDBHSA-N 0 1 418.519 2.413 50 0 HEAAMN CCOC(=O)C1CCN(C(=O)C2CCN(c3nc(Cl)nc4[nH]cnc43)CC2)CC1 ZINC000008992878 132334606 /nfs/dbraw/zinc/33/46/06/132334606.db2.gz LPOROWFQYOOQEC-UHFFFAOYSA-N 0 1 420.901 2.024 50 0 HEAAMN CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 ZINC000032863581 518349685 /nfs/dbraw/zinc/34/96/85/518349685.db2.gz ZKMCWKAZQCKEKD-IBGZPJMESA-N 0 1 420.529 2.217 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)cc1 ZINC000045966959 519709400 /nfs/dbraw/zinc/70/94/00/519709400.db2.gz MTGBFJUKYAJFCZ-UHFFFAOYSA-N 0 1 422.529 2.418 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@]21c2ccccc2NC1=O ZINC000020566723 520562357 /nfs/dbraw/zinc/56/23/57/520562357.db2.gz JZVXWJKGRYEPKY-MTXNFPGFSA-N 0 1 403.482 2.450 50 0 HEAAMN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2nnc[nH]2)c1 ZINC000032776418 526181048 /nfs/dbraw/zinc/18/10/48/526181048.db2.gz GSLUWECENIDCAR-UHFFFAOYSA-N 0 1 408.443 2.243 50 0 HEAAMN O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000032598942 527011943 /nfs/dbraw/zinc/01/19/43/527011943.db2.gz UTRJNHMXZYZRGQ-UHFFFAOYSA-N 0 1 410.249 2.306 50 0 HEAAMN O=c1n(CCN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccn21 ZINC000032778032 527494071 /nfs/dbraw/zinc/49/40/71/527494071.db2.gz WDGALDBVWBOZEE-UHFFFAOYSA-N 0 1 406.412 2.122 50 0 HEAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000850337 557100694 /nfs/dbraw/zinc/10/06/94/557100694.db2.gz TXDXGKDBVOAOJH-IBGZPJMESA-N 0 1 401.463 2.269 50 0 HEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677374 557364825 /nfs/dbraw/zinc/36/48/25/557364825.db2.gz YMERVXHWUVWPIB-IBGZPJMESA-N 0 1 418.513 2.412 50 0 HEAAMN Cc1nn(C)c(C)c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002852697 557405457 /nfs/dbraw/zinc/40/54/57/557405457.db2.gz YTTUROXNUBRUFO-UHFFFAOYSA-N 0 1 417.520 2.437 50 0 HEAAMN COc1cc(C)c(CN2CCN(C[C@@H](O)COCc3ccco3)CC2)cc1OC ZINC000022780528 557819696 /nfs/dbraw/zinc/81/96/96/557819696.db2.gz VLGYPDQBRMZTFZ-LJQANCHMSA-N 0 1 404.507 2.301 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2)N2CCN(C)CC2)cc1 ZINC000022795409 557822617 /nfs/dbraw/zinc/82/26/17/557822617.db2.gz USRLATFYZUYVMY-NRFANRHFSA-N 0 1 410.518 2.047 50 0 HEAAMN NS(=O)(=O)c1ccc(CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000009484471 557844361 /nfs/dbraw/zinc/84/43/61/557844361.db2.gz BWBYBXLCKCRPIR-UHFFFAOYSA-N 0 1 410.908 2.272 50 0 HEAAMN COC[C@H]1CCCCN1Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000019794418 558283651 /nfs/dbraw/zinc/28/36/51/558283651.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 0 1 405.568 2.174 50 0 HEAAMN COCCn1c(CN2CCN3CCC[C@@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000019812742 558287161 /nfs/dbraw/zinc/28/71/61/558287161.db2.gz PTICXFDQBOWNEO-LJQANCHMSA-N 0 1 424.611 2.164 50 0 HEAAMN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000011909062 558296082 /nfs/dbraw/zinc/29/60/82/558296082.db2.gz HAUOZJMNEZPXKP-GOSISDBHSA-N 0 1 413.522 2.331 50 0 HEAAMN CC(=O)N1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000012318422 558381308 /nfs/dbraw/zinc/38/13/08/558381308.db2.gz OADOBEUKRSTZOF-UHFFFAOYSA-N 0 1 422.529 2.429 50 0 HEAAMN CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998612 558427340 /nfs/dbraw/zinc/42/73/40/558427340.db2.gz ZSBBWBMHTNMIEW-OAHLLOKOSA-N 0 1 401.511 2.274 50 0 HEAAMN COC(=O)C1C(CN2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566283 558541274 /nfs/dbraw/zinc/54/12/74/558541274.db2.gz KSWFRTPPWGGEKZ-ORAYPTAESA-N 0 1 403.479 2.217 50 0 HEAAMN COc1ccc(NC(=O)[C@H](C)n2cncn2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024745660 558609489 /nfs/dbraw/zinc/60/94/89/558609489.db2.gz BGUPUMUVZHVHFM-LBPRGKRZSA-N 0 1 419.438 2.426 50 0 HEAAMN Cc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 ZINC000014077707 558618094 /nfs/dbraw/zinc/61/80/94/558618094.db2.gz GHIWSAHVAOPKAR-UHFFFAOYSA-N 0 1 414.491 2.158 50 0 HEAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n2)cc1 ZINC000014117372 558621721 /nfs/dbraw/zinc/62/17/21/558621721.db2.gz WIRZSEHXGKDOCO-UHFFFAOYSA-N 0 1 413.503 2.060 50 0 HEAAMN O=C(CN1CCC(c2nc3ccccc3o2)CC1)N1CCN(c2ncccn2)CC1 ZINC000014184882 558629947 /nfs/dbraw/zinc/62/99/47/558629947.db2.gz AJKJXLNPJUSJAA-UHFFFAOYSA-N 0 1 406.490 2.146 50 0 HEAAMN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2 ZINC000014882025 558676492 /nfs/dbraw/zinc/67/64/92/558676492.db2.gz SUVDPMBRIAUYAO-OAHLLOKOSA-N 0 1 401.511 2.016 50 0 HEAAMN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1 ZINC000028435162 558701170 /nfs/dbraw/zinc/70/11/70/558701170.db2.gz ZVIZUTSCSUQABL-KRWDZBQOSA-N 0 1 408.502 2.439 50 0 HEAAMN CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022105 558767872 /nfs/dbraw/zinc/76/78/72/558767872.db2.gz DGFGEQTWBFZXIJ-PWSZPPJVSA-N 0 1 421.472 2.445 50 0 HEAAMN CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)ccc21 ZINC000016024914 558768796 /nfs/dbraw/zinc/76/87/96/558768796.db2.gz FCAKQAAFKVOSCB-UHFFFAOYSA-N 0 1 423.458 2.294 50 0 HEAAMN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000033024217 558841554 /nfs/dbraw/zinc/84/15/54/558841554.db2.gz NJVOVHGJQSMAFD-LJQANCHMSA-N 0 1 415.490 2.370 50 0 HEAAMN COc1cccc(CN(C)Cc2n[nH]c3c2CCC3)c1OCCN1CCOCC1 ZINC000055327846 558879366 /nfs/dbraw/zinc/87/93/66/558879366.db2.gz MJWNQNUUKLNTNP-UHFFFAOYSA-N 0 1 400.523 2.250 50 0 HEAAMN CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000060370498 558890681 /nfs/dbraw/zinc/89/06/81/558890681.db2.gz QZLYRMQVTKNLTO-UUKMXZOPSA-N 0 1 407.580 2.265 50 0 HEAAMN O=C(Nc1ccnn1C1CCN(Cc2cnc(N3CCOCC3)s2)CC1)C1CC1 ZINC000019535876 558913742 /nfs/dbraw/zinc/91/37/42/558913742.db2.gz JRJWRXPAQSCRHO-UHFFFAOYSA-N 0 1 416.551 2.362 50 0 HEAAMN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)no1 ZINC000058251279 558915188 /nfs/dbraw/zinc/91/51/88/558915188.db2.gz GLWRNHIIBPKNJS-LBPRGKRZSA-N 0 1 418.523 2.445 50 0 HEAAMN CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)nn2)CC1 ZINC000033261544 558931275 /nfs/dbraw/zinc/93/12/75/558931275.db2.gz PIUVDHPOAJRODQ-OAQYLSRUSA-N 0 1 422.577 2.460 50 0 HEAAMN O=C(NCCCN1CCN(CCCNC(=O)c2cccs2)CC1)c1cccs1 ZINC000019690765 558959989 /nfs/dbraw/zinc/95/99/89/558959989.db2.gz BUWVHZIRQGMQLR-UHFFFAOYSA-N 0 1 420.604 2.367 50 0 HEAAMN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000065362888 558973664 /nfs/dbraw/zinc/97/36/64/558973664.db2.gz UOLQQNCSVDUPSH-UHFFFAOYSA-N 0 1 402.520 2.371 50 0 HEAAMN COc1cc(C(=O)OCCN2CCN(Cc3ccccc3)CC2)cc(OC)c1O ZINC000096602361 558981571 /nfs/dbraw/zinc/98/15/71/558981571.db2.gz DBDUMTSGPFISIG-UHFFFAOYSA-N 0 1 400.475 2.384 50 0 HEAAMN CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCCCC1 ZINC000067629453 558990118 /nfs/dbraw/zinc/99/01/18/558990118.db2.gz FNAAFYMPRYOEFG-UHFFFAOYSA-N 0 1 411.593 2.407 50 0 HEAAMN CCN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000022457243 558995328 /nfs/dbraw/zinc/99/53/28/558995328.db2.gz DVYOJEXFPKIDKK-LJQANCHMSA-N 0 1 408.955 2.392 50 0 HEAAMN CN(C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077338094 559001716 /nfs/dbraw/zinc/00/17/16/559001716.db2.gz JQZAKLOUTKGYLI-UHFFFAOYSA-N 0 1 413.543 2.274 50 0 HEAAMN CN(Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C[C@@H]1CCCCO1 ZINC000077489618 559007350 /nfs/dbraw/zinc/00/73/50/559007350.db2.gz IKVIGOAMNSLMJZ-KRWDZBQOSA-N 0 1 413.474 2.035 50 0 HEAAMN CC1(C)C[C@H](C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)CCO1 ZINC000095518066 559084816 /nfs/dbraw/zinc/08/48/16/559084816.db2.gz MQTIQQKGDUHHKX-MRXNPFEDSA-N 0 1 400.523 2.227 50 0 HEAAMN COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)nc2ccccn2c1=O ZINC000205949063 559177967 /nfs/dbraw/zinc/17/79/67/559177967.db2.gz JUHLNHSUWNUIFC-CYBMUJFWSA-N 0 1 414.414 2.121 50 0 HEAAMN CCN(CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C ZINC000005058434 559238740 /nfs/dbraw/zinc/23/87/40/559238740.db2.gz ZYPRBOSTIHPLFZ-UHFFFAOYSA-N 0 1 423.535 2.031 50 0 HEAAMN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cc(-c2ccccn2)n[nH]1 ZINC000206246596 560555164 /nfs/dbraw/zinc/55/51/64/560555164.db2.gz LLAZLYSKVNIZTA-GOSISDBHSA-N 0 1 402.414 2.281 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000005345817 560569959 /nfs/dbraw/zinc/56/99/59/560569959.db2.gz KYZBMKUVKDJACM-KGWSRGFLSA-N 0 1 419.909 2.143 50 0 HEAAMN COC(=O)CC1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000062580539 560631447 /nfs/dbraw/zinc/63/14/47/560631447.db2.gz AIAQADZNFRFXGO-DFLMZXFUSA-N 0 1 405.539 2.445 50 0 HEAAMN COC(=O)CC1CCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000062580541 560631466 /nfs/dbraw/zinc/63/14/66/560631466.db2.gz AIAQADZNFRFXGO-YMXMSLLWSA-N 0 1 405.539 2.445 50 0 HEAAMN COc1ccccc1[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCCC1 ZINC000018011539 560762349 /nfs/dbraw/zinc/76/23/49/560762349.db2.gz VLUIOLQAWJFIJF-FQEVSTJZSA-N 0 1 406.486 2.428 50 0 HEAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000107090142 560895426 /nfs/dbraw/zinc/89/54/26/560895426.db2.gz AXQSCQPXECAXDX-AKHDSKFASA-N 0 1 419.566 2.455 50 0 HEAAMN COc1cccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808521 560897317 /nfs/dbraw/zinc/89/73/17/560897317.db2.gz OUQSSHWDZRNAJE-UHFFFAOYSA-N 0 1 417.447 2.110 50 0 HEAAMN CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000095462010 568621250 /nfs/dbraw/zinc/62/12/50/568621250.db2.gz FCUVOLFTYDLHGC-UHFFFAOYSA-N 0 1 402.516 2.324 50 0 HEAAMN CSCC[C@@H]1N[C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020610861 568636921 /nfs/dbraw/zinc/63/69/21/568636921.db2.gz HGEBMVUMLBLGLT-RQXXJAGISA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@@]21c2ccccc2NC1=O ZINC000020610787 568637073 /nfs/dbraw/zinc/63/70/73/568637073.db2.gz GWRJPJGBVZPRFD-KTIHBUSBSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(CCO)CC(F)F)cc1 ZINC000225430480 568637617 /nfs/dbraw/zinc/63/76/17/568637617.db2.gz DQBSPEBNYVVHEX-UHFFFAOYSA-N 0 1 414.430 2.196 50 0 HEAAMN CSCC[C@@H]1N[C@@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020611647 568637626 /nfs/dbraw/zinc/63/76/26/568637626.db2.gz FRCWUYJLWKGFRZ-GEYWLOKFSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCC[NH+]1CCOCC1 ZINC000020643538 568638527 /nfs/dbraw/zinc/63/85/27/568638527.db2.gz JYDLNONZDFBGDV-UHFFFAOYSA-N 0 1 418.563 2.458 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)N2CCCC2)o1 ZINC000225522729 568646599 /nfs/dbraw/zinc/64/65/99/568646599.db2.gz MSBMEALNMAWFCD-VLCRHTCISA-N 0 1 411.502 2.440 50 0 HEAAMN CCN1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097912 568665423 /nfs/dbraw/zinc/66/54/23/568665423.db2.gz HOCWLVGZCSNMDJ-OAQYLSRUSA-N 0 1 403.498 2.375 50 0 HEAAMN CCOc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000021154280 568673205 /nfs/dbraw/zinc/67/32/05/568673205.db2.gz YTXPNMGUXQCPPJ-UHFFFAOYSA-N 0 1 421.519 2.314 50 0 HEAAMN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096115928 568695623 /nfs/dbraw/zinc/69/56/23/568695623.db2.gz FSSOUCRKPHWKKV-GFCCVEGCSA-N 0 1 404.806 2.463 50 0 biogenic HEAAMN O=C(c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1)N1CCNCC1 ZINC000000959965 568758290 /nfs/dbraw/zinc/75/82/90/568758290.db2.gz CPZAHBAZWPLJJC-UHFFFAOYSA-N 0 1 424.888 2.163 50 0 HEAAMN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2C)N2CCN(C)CC2)cc1 ZINC000022579364 568770338 /nfs/dbraw/zinc/77/03/38/568770338.db2.gz UPGVPXZNYMESBT-HXUWFJFHSA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582641 568770663 /nfs/dbraw/zinc/77/06/63/568770663.db2.gz PZOXLNYOERLJQA-OAQYLSRUSA-N 0 1 403.548 2.271 50 0 HEAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415510 568834117 /nfs/dbraw/zinc/83/41/17/568834117.db2.gz DVQGQJWUVQIRTG-GOSISDBHSA-N 0 1 405.520 2.305 50 0 HEAAMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCSc3ccccc3)cc2)[nH]1 ZINC000031652633 568837288 /nfs/dbraw/zinc/83/72/88/568837288.db2.gz XABXUFQXGHYMMO-UHFFFAOYSA-N 0 1 411.483 2.403 50 0 HEAAMN N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(-n3ccnc3)cc2)N1)OCCCO4 ZINC000012547323 568850849 /nfs/dbraw/zinc/85/08/49/568850849.db2.gz XGTVOCRTUNZODO-LJQANCHMSA-N 0 1 401.430 2.480 50 0 HEAAMN Nc1ncccc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778296 568874749 /nfs/dbraw/zinc/87/47/49/568874749.db2.gz PZLLJQRCQBHBGW-HXUWFJFHSA-N 0 1 414.481 2.074 50 0 HEAAMN CCOc1ccc(-n2c(O)c([C@@H]3c4ccccc4CCN3C(C)=O)c(=O)[nH]c2=O)cc1 ZINC000003984820 568931133 /nfs/dbraw/zinc/93/11/33/568931133.db2.gz FDPXMPHMRKRXDQ-FQEVSTJZSA-N 0 1 421.453 2.124 50 0 biogenic HEAAMN COc1ccccc1[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)N1CCCC1 ZINC000006084803 568997155 /nfs/dbraw/zinc/99/71/55/568997155.db2.gz JHKBGYPXTMVNPC-UXHICEINSA-N 0 1 410.518 2.228 50 0 HEAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000006168866 569016374 /nfs/dbraw/zinc/01/63/74/569016374.db2.gz QYFDUOCDXQWVMC-OAHLLOKOSA-N 0 1 408.549 2.162 50 0 HEAAMN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCCN(C2CCSCC2)CC1 ZINC000575617705 569037574 /nfs/dbraw/zinc/03/75/74/569037574.db2.gz QLGXAEHHBGVTOR-UHFFFAOYSA-N 0 1 412.577 2.440 50 0 HEAAMN CN1CCN(c2ccc(CNC(=O)NCc3cccc(NC(=O)C4CC4)c3)cn2)CC1 ZINC000012985223 569047719 /nfs/dbraw/zinc/04/77/19/569047719.db2.gz MCUMPCJVYMGLNI-UHFFFAOYSA-N 0 1 422.533 2.181 50 0 HEAAMN O=c1cc(CN2CCCCCC2)oc(CN2CCN(CC(F)(F)F)CC2)c1O ZINC000253406832 569051410 /nfs/dbraw/zinc/05/14/10/569051410.db2.gz JIGWYYCTMJLQTO-UHFFFAOYSA-N 0 1 403.445 2.401 50 0 HEAAMN CSCC[C@@H](C(=O)NCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)n1cccc1 ZINC000524729501 569051691 /nfs/dbraw/zinc/05/16/91/569051691.db2.gz WBNCFYSTDOJRQE-HBFSDRIKSA-N 0 1 414.575 2.180 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@H]2C1 ZINC000245325699 569055861 /nfs/dbraw/zinc/05/58/61/569055861.db2.gz HJSFJQDWUUWQDX-XMSQKQJNSA-N 0 1 424.888 2.286 50 0 HEAAMN COCCN1CCN(c2nc3nn(C)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929829 569066722 /nfs/dbraw/zinc/06/67/22/569066722.db2.gz GJURMLVRXHCXQQ-UHFFFAOYSA-N 0 1 401.902 2.034 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991047 569074574 /nfs/dbraw/zinc/07/45/74/569074574.db2.gz DTFKTIFFYGGZJN-SFHVURJKSA-N 0 1 406.914 2.101 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000035991706 569074674 /nfs/dbraw/zinc/07/46/74/569074674.db2.gz NXMMANLMSABBPR-HXUWFJFHSA-N 0 1 400.523 2.064 50 0 HEAAMN CN1CCN(CCCNC(=O)c2nc(-c3ccc(N4CCCCC4)cc3)no2)CC1 ZINC000064746359 569088225 /nfs/dbraw/zinc/08/82/25/569088225.db2.gz PFWDHKZJDAPTTN-UHFFFAOYSA-N 0 1 412.538 2.094 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)n1 ZINC000064800498 569097357 /nfs/dbraw/zinc/09/73/57/569097357.db2.gz STQTXTRELSZPJK-UHFFFAOYSA-N 0 1 405.524 2.045 50 0 HEAAMN CCOc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)cc1 ZINC000064969789 569138584 /nfs/dbraw/zinc/13/85/84/569138584.db2.gz HOSCQWSKSFNTCP-UHFFFAOYSA-N 0 1 404.467 2.454 50 0 HEAAMN CCN1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn2)CC1 ZINC000065009199 569153318 /nfs/dbraw/zinc/15/33/18/569153318.db2.gz MMAZOFCWYUYJMC-UHFFFAOYSA-N 0 1 415.563 2.378 50 0 HEAAMN CCn1c(CN2CCC[C@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908103 569178715 /nfs/dbraw/zinc/17/87/15/569178715.db2.gz NCOQCEAQLYOWIY-INIZCTEOSA-N 0 1 406.552 2.309 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1 ZINC000065115482 569179408 /nfs/dbraw/zinc/17/94/08/569179408.db2.gz UBZNWOOGJJZQBM-UHFFFAOYSA-N 0 1 417.443 2.110 50 0 HEAAMN Cn1c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc2n(Cc2ccccc2)c1=O ZINC000006935490 569186242 /nfs/dbraw/zinc/18/62/42/569186242.db2.gz TXEBSJDARFBEIT-UHFFFAOYSA-N 0 1 405.385 2.219 50 0 HEAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000007016278 569201000 /nfs/dbraw/zinc/20/10/00/569201000.db2.gz SMCPTSRZPPNWOV-UHFFFAOYSA-N 0 1 403.489 2.203 50 0 HEAAMN O=C(COc1ccccc1)NCC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000089851298 569267282 /nfs/dbraw/zinc/26/72/82/569267282.db2.gz CLJAIHWMUUQIMM-GOSISDBHSA-N 0 1 405.458 2.330 50 0 HEAAMN O=C(COc1ccccc1)NCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000089851298 569267283 /nfs/dbraw/zinc/26/72/83/569267283.db2.gz CLJAIHWMUUQIMM-GOSISDBHSA-N 0 1 405.458 2.330 50 0 HEAAMN CCN(CC)CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000089968977 569270276 /nfs/dbraw/zinc/27/02/76/569270276.db2.gz QFXSPNAZBZUJJJ-KRWDZBQOSA-N 0 1 419.547 2.215 50 0 HEAAMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000078974958 569422582 /nfs/dbraw/zinc/42/25/82/569422582.db2.gz HHYRRXDBCNQYEF-ZDUSSCGKSA-N 0 1 400.464 2.140 50 0 HEAAMN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc2[nH]nnc2c1 ZINC000079021361 569424286 /nfs/dbraw/zinc/42/42/86/569424286.db2.gz ZCKYMMNBJRFKLK-UHFFFAOYSA-N 0 1 413.235 2.459 50 0 HEAAMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN([C@@H]2CCSC2)CC1 ZINC000079025709 569424795 /nfs/dbraw/zinc/42/47/95/569424795.db2.gz OZIIFTIQZAMOMG-IEBWSBKVSA-N 0 1 418.607 2.158 50 0 HEAAMN O[C@H](CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@H]1CCCO1 ZINC000079076638 569427117 /nfs/dbraw/zinc/42/71/17/569427117.db2.gz TVAPYPRYQXODOA-HZPDHXFCSA-N 0 1 423.439 2.219 50 0 HEAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c(=O)c2C1 ZINC000067291862 571068209 /nfs/dbraw/zinc/06/82/09/571068209.db2.gz ZQBIUALBRPUWFG-UHFFFAOYSA-N 0 1 416.503 2.452 50 0 HEAAMN CSc1cccc(N2C[C@H](C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 ZINC000040086627 571157099 /nfs/dbraw/zinc/15/70/99/571157099.db2.gz USNCGMBRXBULGC-BRWVUGGUSA-N 0 1 405.564 2.377 50 0 HEAAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009963503 571292999 /nfs/dbraw/zinc/29/29/99/571292999.db2.gz XBNURYIBMUKISL-SECBINFHSA-N 0 1 409.518 2.300 50 0 HEAAMN O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000077104283 571311710 /nfs/dbraw/zinc/31/17/10/571311710.db2.gz GYBGZBJUFOIQMT-UHFFFAOYSA-N 0 1 401.488 2.411 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)N2CCCC2)cc1 ZINC000009606748 132341532 /nfs/dbraw/zinc/34/15/32/132341532.db2.gz BADIPKVBQCSQTJ-HXUWFJFHSA-N 0 1 410.522 2.154 50 0 HEAAMN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCN(c2ccccn2)CC1 ZINC000011771335 132350313 /nfs/dbraw/zinc/35/03/13/132350313.db2.gz OEFKXNFRXARCSI-DEOSSOPVSA-N 0 1 408.546 2.190 50 0 HEAAMN CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000011937788 132352364 /nfs/dbraw/zinc/35/23/64/132352364.db2.gz KZBQXKZOZPZMCS-NRFANRHFSA-N 0 1 400.567 2.182 50 0 HEAAMN COc1ccc(-n2ccnc2SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000024097255 523337200 /nfs/dbraw/zinc/33/72/00/523337200.db2.gz QHTWSCAZMPHRQK-IBGZPJMESA-N 0 1 418.563 2.446 50 0 HEAAMN COc1ccccc1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966553 524437515 /nfs/dbraw/zinc/43/75/15/524437515.db2.gz JENYHGZXRBKRMT-UHFFFAOYSA-N 0 1 417.456 2.438 50 0 HEAAMN CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000032962010 525214388 /nfs/dbraw/zinc/21/43/88/525214388.db2.gz KWUMGMDIQUFSES-UHFFFAOYSA-N 0 1 407.467 2.218 50 0 HEAAMN O=C(CC(F)(F)F)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600335 526322196 /nfs/dbraw/zinc/32/21/96/526322196.db2.gz OGAKWSOHRGMKEH-INIZCTEOSA-N 0 1 413.440 2.476 50 0 HEAAMN CC(C)CC(=O)NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1 ZINC000035590423 535379245 /nfs/dbraw/zinc/37/92/45/535379245.db2.gz CBLSNFMXKAZMKY-UHFFFAOYSA-N 0 1 421.549 2.311 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)[nH]c2c1 ZINC000009654508 535444901 /nfs/dbraw/zinc/44/49/01/535444901.db2.gz XUULAHSPGDJDHZ-QGZVFWFLSA-N 0 1 412.471 2.333 50 0 HEAAMN C[C@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCO1 ZINC000005041627 557628543 /nfs/dbraw/zinc/62/85/43/557628543.db2.gz SGIFMUWXDOFORS-SWLSCSKDSA-N 0 1 407.521 2.131 50 0 HEAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000007361543 557739735 /nfs/dbraw/zinc/73/97/35/557739735.db2.gz ZAHQGZSFTAIONZ-UHFFFAOYSA-N 0 1 420.487 2.285 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(F)cc2)CC1 ZINC000022778666 557821440 /nfs/dbraw/zinc/82/14/40/557821440.db2.gz FILWTMCVDFKCQF-IBGZPJMESA-N 0 1 402.445 2.008 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)N2CCN(C)CC2)cc1 ZINC000022795462 557822581 /nfs/dbraw/zinc/82/25/81/557822581.db2.gz XCSUSPVQMGGGOU-QFIPXVFZSA-N 0 1 424.545 2.355 50 0 HEAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009689782 557848492 /nfs/dbraw/zinc/84/84/92/557848492.db2.gz MVBHZJDVXQVWON-UHFFFAOYSA-N 0 1 420.443 2.176 50 0 HEAAMN COc1ccccc1N1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771049 558279777 /nfs/dbraw/zinc/27/97/77/558279777.db2.gz OBSAWMCJIMPABH-RBUKOAKNSA-N 0 1 414.502 2.035 50 0 HEAAMN COc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C ZINC000019839239 558293502 /nfs/dbraw/zinc/29/35/02/558293502.db2.gz DXIGVQRDIHPTEX-UHFFFAOYSA-N 0 1 420.517 2.021 50 0 HEAAMN CSc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031336 558311384 /nfs/dbraw/zinc/31/13/84/558311384.db2.gz PZESXPQZCLTDAH-SFHVURJKSA-N 0 1 423.608 2.305 50 0 HEAAMN Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc32)n[nH]1 ZINC000012299853 558369714 /nfs/dbraw/zinc/36/97/14/558369714.db2.gz BTSQGMHRSYKPOJ-NRFANRHFSA-N 0 1 405.502 2.220 50 0 HEAAMN CSCC[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020517776 558383110 /nfs/dbraw/zinc/38/31/10/558383110.db2.gz KRMINIISJISQMD-PZTGFMGMSA-N 0 1 417.506 2.242 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N3)cc1 ZINC000020716576 558401597 /nfs/dbraw/zinc/40/15/97/558401597.db2.gz VPNQJWYBDDAZQZ-INIZCTEOSA-N 0 1 423.429 2.493 50 0 HEAAMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)OCO2 ZINC000012417117 558402368 /nfs/dbraw/zinc/40/23/68/558402368.db2.gz BPOXLMQNKZVNII-JTQLQIEISA-N 0 1 404.400 2.138 50 0 HEAAMN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNC[C@@H]1COCCO1 ZINC000012446802 558414312 /nfs/dbraw/zinc/41/43/12/558414312.db2.gz GMTYWGSATNYVHW-QGZVFWFLSA-N 0 1 414.531 2.216 50 0 HEAAMN CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998614 558427286 /nfs/dbraw/zinc/42/72/86/558427286.db2.gz ZSBBWBMHTNMIEW-HNNXBMFYSA-N 0 1 401.511 2.274 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC000022100999 558463754 /nfs/dbraw/zinc/46/37/54/558463754.db2.gz KRGGVCPYBCSUJP-UHFFFAOYSA-N 0 1 402.432 2.202 50 0 HEAAMN COC(=O)C(F)(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)OC ZINC000022804796 558513863 /nfs/dbraw/zinc/51/38/63/558513863.db2.gz WIXAAFQCLGMLDA-UHFFFAOYSA-N 0 1 414.477 2.448 50 0 HEAAMN C[C@@H]1Cc2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)ccc2N1S(C)(=O)=O ZINC000023133196 558537301 /nfs/dbraw/zinc/53/73/01/558537301.db2.gz AJAHPHLUQWPGFC-ACJLOTCBSA-N 0 1 407.561 2.491 50 0 HEAAMN C[C@H]1Cc2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)ccc2N1S(C)(=O)=O ZINC000023133198 558537339 /nfs/dbraw/zinc/53/73/39/558537339.db2.gz AJAHPHLUQWPGFC-UGSOOPFHSA-N 0 1 407.561 2.491 50 0 HEAAMN CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC000014744024 558668244 /nfs/dbraw/zinc/66/82/44/558668244.db2.gz QHJZABVAVIWOLS-UHFFFAOYSA-N 0 1 423.473 2.295 50 0 HEAAMN O=C(c1[nH]nc2ccccc21)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCC2CC2)C1 ZINC000014747647 558669694 /nfs/dbraw/zinc/66/96/94/558669694.db2.gz SUKGGWXLLOWGEF-GOSISDBHSA-N 0 1 419.485 2.238 50 0 HEAAMN CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCCN(C=O)CC1)C2 ZINC000014755672 558672039 /nfs/dbraw/zinc/67/20/39/558672039.db2.gz XNTSZEYDPJLCKT-IBGZPJMESA-N 0 1 415.582 2.331 50 0 HEAAMN CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014961713 558684243 /nfs/dbraw/zinc/68/42/43/558684243.db2.gz LDFSSUVGKDCHEX-HNNXBMFYSA-N 0 1 422.489 2.379 50 0 HEAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)CC1 ZINC000015073808 558714596 /nfs/dbraw/zinc/71/45/96/558714596.db2.gz NQLRNZTWDYGUCC-IBGZPJMESA-N 0 1 421.501 2.196 50 0 HEAAMN CCN1CCN(c2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)n2)CC1 ZINC000015778152 558752573 /nfs/dbraw/zinc/75/25/73/558752573.db2.gz MPAWCHMDMSUGOX-UHFFFAOYSA-N 0 1 412.513 2.028 50 0 HEAAMN C[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022239 558768049 /nfs/dbraw/zinc/76/80/49/558768049.db2.gz VFEXCJGQOMAQCM-FWBMBMJDSA-N 0 1 409.873 2.323 50 0 HEAAMN C[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022238 558768133 /nfs/dbraw/zinc/76/81/33/558768133.db2.gz VFEXCJGQOMAQCM-CCERKAGCSA-N 0 1 409.873 2.323 50 0 HEAAMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H](O)[C@@H](N2CCCC2)C1 ZINC000072308553 558769783 /nfs/dbraw/zinc/76/97/83/558769783.db2.gz CMPITBUOJKWALO-VOQZNFBZSA-N 0 1 407.514 2.386 50 0 HEAAMN CCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033034150 558858326 /nfs/dbraw/zinc/85/83/26/558858326.db2.gz IKXGCFJPLDVODQ-UHFFFAOYSA-N 0 1 416.547 2.264 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)c1 ZINC000060349332 558860040 /nfs/dbraw/zinc/86/00/40/558860040.db2.gz IOXKZHNAAZELLX-SFHVURJKSA-N 0 1 415.471 2.348 50 0 HEAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000023015409 558863130 /nfs/dbraw/zinc/86/31/30/558863130.db2.gz CDVATVRQJCUZGA-UHFFFAOYSA-N 0 1 419.411 2.398 50 0 HEAAMN CCOC(=O)C1C(CN2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000055561928 558882525 /nfs/dbraw/zinc/88/25/25/558882525.db2.gz PKVSZAZAERKMLF-LJQANCHMSA-N 0 1 403.479 2.361 50 0 HEAAMN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000058164048 558906566 /nfs/dbraw/zinc/90/65/66/558906566.db2.gz MSNRFSDXZLMVAF-ZDUSSCGKSA-N 0 1 419.503 2.248 50 0 HEAAMN NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1F ZINC000058175529 558909477 /nfs/dbraw/zinc/90/94/77/558909477.db2.gz CPXIKJWFUJDEKR-GFCCVEGCSA-N 0 1 415.487 2.241 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000058201314 558911357 /nfs/dbraw/zinc/91/13/57/558911357.db2.gz AKRYDUVUVWBECH-UHFFFAOYSA-N 0 1 400.910 2.389 50 0 HEAAMN CN(CCn1cccn1)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 ZINC000064158140 558962122 /nfs/dbraw/zinc/96/21/22/558962122.db2.gz SEZXUEUJNZWQAW-UHFFFAOYSA-N 0 1 409.534 2.402 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc(N2CCOCC2)n1 ZINC000065363706 558974812 /nfs/dbraw/zinc/97/48/12/558974812.db2.gz RHEKLULKZBIUHK-UHFFFAOYSA-N 0 1 414.485 2.423 50 0 HEAAMN COc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(Cl)c3)c(C(N)=O)n2)c1O ZINC000096835589 558992837 /nfs/dbraw/zinc/99/28/37/558992837.db2.gz QAMOBLUWCHZJTF-UHFFFAOYSA-N 0 1 411.805 2.242 50 0 HEAAMN CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CCCCc1cn[nH]n1 ZINC000097162163 558998128 /nfs/dbraw/zinc/99/81/28/558998128.db2.gz BEHKHWLAVSUGCV-UHFFFAOYSA-N 0 1 415.494 2.246 50 0 HEAAMN CCc1[nH]nc2c1CN(C(=O)[C@H]1[C@@H]3C=C[C@@]4(CN(CC(CC)CC)C(=O)[C@@H]14)O3)CC2 ZINC000077287856 559000487 /nfs/dbraw/zinc/00/04/87/559000487.db2.gz NLBCMDLQHOILEY-GJPOJAMWSA-N 0 1 412.534 2.075 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077319436 559001272 /nfs/dbraw/zinc/00/12/72/559001272.db2.gz YQXJJPULLDYMPB-CIEVZJJWSA-N 0 1 420.513 2.276 50 0 HEAAMN O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)N1CC(N2CCCCC2)C1 ZINC000077485708 559006985 /nfs/dbraw/zinc/00/69/85/559006985.db2.gz PXXAQRGBGZHTIL-BLRYILKCSA-N 0 1 413.562 2.188 50 0 HEAAMN CCOc1ccc(N2C(=O)C[C@@H](NCCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000095496459 559081395 /nfs/dbraw/zinc/08/13/95/559081395.db2.gz WDPQGIKZTUBBAH-GOSISDBHSA-N 0 1 415.877 2.390 50 0 HEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000100080842 559126910 /nfs/dbraw/zinc/12/69/10/559126910.db2.gz VUXQBAWBTHTARM-HOTGVXAUSA-N 0 1 400.460 2.265 50 0 HEAAMN COC(=O)C1C(CSc2nccn2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004911448 559202708 /nfs/dbraw/zinc/20/27/08/559202708.db2.gz AEEQVGPLSBBXMW-MRXNPFEDSA-N 0 1 418.475 2.011 50 0 HEAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011858287 559263067 /nfs/dbraw/zinc/26/30/67/559263067.db2.gz DNDFGBKNMIRCDG-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000005345815 560570011 /nfs/dbraw/zinc/57/00/11/560570011.db2.gz KYZBMKUVKDJACM-YJXLLHPSSA-N 0 1 419.909 2.143 50 0 HEAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000005573494 560624187 /nfs/dbraw/zinc/62/41/87/560624187.db2.gz TVQPVGPWICOKQW-UHFFFAOYSA-N 0 1 414.386 2.455 50 0 HEAAMN COc1cc(-c2cc(C(=O)N3CCC(n4ccnn4)CC3)n[nH]2)cc(OC)c1OC ZINC000206939225 560749826 /nfs/dbraw/zinc/74/98/26/560749826.db2.gz DLBBKYKLGKJYTE-UHFFFAOYSA-N 0 1 412.450 2.171 50 0 HEAAMN CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccccc2Cl)c1O ZINC000101000666 560766545 /nfs/dbraw/zinc/76/65/45/560766545.db2.gz BELVHYSGHZBQGY-GOSISDBHSA-N 0 1 411.845 2.379 50 0 HEAAMN O=C(c1nnc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)c[nH]2)o1)N1CCCC1 ZINC000085808648 568442226 /nfs/dbraw/zinc/44/22/26/568442226.db2.gz MJFKJTCCSDJJPS-UHFFFAOYSA-N 0 1 405.411 2.241 50 0 HEAAMN CS[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@@H]1N1CCCC1 ZINC000222336304 568514825 /nfs/dbraw/zinc/51/48/25/568514825.db2.gz KJBAEFFVLSRNCH-FPXQBCRKSA-N 0 1 400.610 2.223 50 0 HEAAMN CCn1c([O-])c([C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(=O)n(CC)c1=S ZINC000020411853 568605575 /nfs/dbraw/zinc/60/55/75/568605575.db2.gz JTCVQEPGJJFAEY-OAHLLOKOSA-N 0 1 419.503 2.439 50 0 biogenic HEAAMN CCN1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097907 568665304 /nfs/dbraw/zinc/66/53/04/568665304.db2.gz HOCWLVGZCSNMDJ-NRFANRHFSA-N 0 1 403.498 2.375 50 0 HEAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000229655455 568714982 /nfs/dbraw/zinc/71/49/82/568714982.db2.gz AXQSCQPXECAXDX-ZSYWTGECSA-N 0 1 419.566 2.455 50 0 HEAAMN O=C(Nc1nccnc1C(=O)NC1CCN(Cc2ccc[nH]2)CC1)c1ccccc1 ZINC000096281603 568718995 /nfs/dbraw/zinc/71/89/95/568718995.db2.gz VTCBXLINICPUOU-UHFFFAOYSA-N 0 1 404.474 2.451 50 0 HEAAMN O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000096345295 568737448 /nfs/dbraw/zinc/73/74/48/568737448.db2.gz GTLCSHPAYGQWHE-UHFFFAOYSA-N 0 1 412.509 2.432 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022582891 568770953 /nfs/dbraw/zinc/77/09/53/568770953.db2.gz LOYNHUJRJWPOHC-SIKLNZKXSA-N 0 1 408.546 2.277 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCN(C)CC2)cc1 ZINC000022582863 568771012 /nfs/dbraw/zinc/77/10/12/568771012.db2.gz OUMUYJSRGFRBRU-HXUWFJFHSA-N 0 1 416.472 2.317 50 0 HEAAMN O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCN(CC2CC2)CC1 ZINC000055673917 568781838 /nfs/dbraw/zinc/78/18/38/568781838.db2.gz NQTLWJWSSSAQQO-HNNXBMFYSA-N 0 1 406.324 2.356 50 0 HEAAMN CCCCCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952441 568822212 /nfs/dbraw/zinc/82/22/12/568822212.db2.gz ILRSWWQLQMCSHH-UHFFFAOYSA-N 0 1 424.549 2.326 50 0 HEAAMN Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 ZINC000056952500 568822232 /nfs/dbraw/zinc/82/22/32/568822232.db2.gz VRDTUNXRXWQYQZ-UHFFFAOYSA-N 0 1 424.549 2.100 50 0 HEAAMN COc1ccc(CNCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000057341695 568827309 /nfs/dbraw/zinc/82/73/09/568827309.db2.gz HCSCRQNXRMJXAR-UHFFFAOYSA-N 0 1 410.474 2.230 50 0 HEAAMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000230157974 568852993 /nfs/dbraw/zinc/85/29/93/568852993.db2.gz CMPITBUOJKWALO-ZPMCFJSWSA-N 0 1 407.514 2.386 50 0 HEAAMN Cc1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 ZINC000299761551 568873374 /nfs/dbraw/zinc/87/33/74/568873374.db2.gz VHVJPTJMRKMXSW-HXUWFJFHSA-N 0 1 402.470 2.128 50 0 HEAAMN COc1cccc(N2C[C@H](C(=O)N3CCC(CCN4CCOCC4)CC3)CC2=O)c1 ZINC000058439890 568918900 /nfs/dbraw/zinc/91/89/00/568918900.db2.gz MYYVSJNMCLVPQI-LJQANCHMSA-N 0 1 415.534 2.009 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)CCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004014255 568933588 /nfs/dbraw/zinc/93/35/88/568933588.db2.gz MPVGYXJYKOELHH-UHFFFAOYSA-N 0 1 404.492 2.140 50 0 HEAAMN O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340724 568946887 /nfs/dbraw/zinc/94/68/87/568946887.db2.gz WONQJNHABOUJAN-AWEZNQCLSA-N 0 1 400.292 2.323 50 0 HEAAMN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000084774053 568959104 /nfs/dbraw/zinc/95/91/04/568959104.db2.gz UWPHRXJQYGANNT-UHFFFAOYSA-N 0 1 405.432 2.411 50 0 HEAAMN CCCn1c(N)c(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(=O)n(C)c1=O ZINC000007990547 568967084 /nfs/dbraw/zinc/96/70/84/568967084.db2.gz YDJFAIARDUXSJQ-UHFFFAOYSA-N 0 1 407.883 2.044 50 0 HEAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000008129116 568974895 /nfs/dbraw/zinc/97/48/95/568974895.db2.gz XXVWULKLUBAEAB-CQSZACIVSA-N 0 1 415.515 2.272 50 0 HEAAMN Fc1ccccc1N1CCN(CCCNc2nn3nnnc3c3ccccc32)CC1 ZINC000015730263 568980932 /nfs/dbraw/zinc/98/09/32/568980932.db2.gz LWJLAYIUMXTENY-UHFFFAOYSA-N 0 1 406.469 2.436 50 0 HEAAMN COc1cccc(CNC(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)c1 ZINC000008210343 568982752 /nfs/dbraw/zinc/98/27/52/568982752.db2.gz METHDHWPHKGSJL-QGZVFWFLSA-N 0 1 408.483 2.460 50 0 HEAAMN COc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(Cl)c2)c1 ZINC000015864105 569016310 /nfs/dbraw/zinc/01/63/10/569016310.db2.gz OVSUMAAACRUBLZ-UHFFFAOYSA-N 0 1 401.894 2.423 50 0 HEAAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006178660 569017792 /nfs/dbraw/zinc/01/77/92/569017792.db2.gz LHIBJNOKLSZCSD-LLVKDONJSA-N 0 1 403.489 2.238 50 0 HEAAMN CSCC[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000015956639 569024571 /nfs/dbraw/zinc/02/45/71/569024571.db2.gz ZDADBIPRYSLBQP-RQXXJAGISA-N 0 1 407.495 2.365 50 0 biogenic HEAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000006414104 569046925 /nfs/dbraw/zinc/04/69/25/569046925.db2.gz JNMUUCJHKVYFGQ-MRXNPFEDSA-N 0 1 400.288 2.226 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN2CCN3CCC[C@H]3C2)n1CCc1ccccc1 ZINC000244692021 569055112 /nfs/dbraw/zinc/05/51/12/569055112.db2.gz JNCHFZCFWKARFZ-IBGZPJMESA-N 0 1 402.564 2.199 50 0 HEAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248177419 569057684 /nfs/dbraw/zinc/05/76/84/569057684.db2.gz AXQSCQPXECAXDX-CADBVGFASA-N 0 1 419.566 2.455 50 0 HEAAMN Cc1ccc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1C ZINC000064459816 569063068 /nfs/dbraw/zinc/06/30/68/569063068.db2.gz WLJOOBNSGHQVED-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000016694634 569070824 /nfs/dbraw/zinc/07/08/24/569070824.db2.gz GGMIAVRJOUKHHI-FQEVSTJZSA-N 0 1 401.532 2.002 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035991635 569074680 /nfs/dbraw/zinc/07/46/80/569074680.db2.gz VQOBOXIWQMKOBT-HXUWFJFHSA-N 0 1 418.513 2.367 50 0 HEAAMN CCCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000064761496 569092017 /nfs/dbraw/zinc/09/20/17/569092017.db2.gz UQYGMUBKGWOQBL-LJQANCHMSA-N 0 1 417.550 2.039 50 0 HEAAMN COCCN[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006784906 569121267 /nfs/dbraw/zinc/12/12/67/569121267.db2.gz DARZMPGCBXVPHO-CYBMUJFWSA-N 0 1 403.932 2.078 50 0 HEAAMN CCCN1CCN(C(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971204 569138948 /nfs/dbraw/zinc/13/89/48/569138948.db2.gz GDBWWOHSSODBHO-GOSISDBHSA-N 0 1 422.533 2.314 50 0 HEAAMN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000006823030 569141261 /nfs/dbraw/zinc/14/12/61/569141261.db2.gz MNUXIGUZBCLBMT-UHFFFAOYSA-N 0 1 413.503 2.088 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)NCc4cccs4)CC3)cn2)CC1 ZINC000065166794 569188787 /nfs/dbraw/zinc/18/87/87/569188787.db2.gz CVMVJXXWGQPNOM-UHFFFAOYSA-N 0 1 414.579 2.213 50 0 HEAAMN CC(C)CN1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CC4)cn3)cc2)CC1 ZINC000065213165 569197482 /nfs/dbraw/zinc/19/74/82/569197482.db2.gz JOOLKZPNSXPZRH-UHFFFAOYSA-N 0 1 409.534 2.312 50 0 HEAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000036576074 569201019 /nfs/dbraw/zinc/20/10/19/569201019.db2.gz CSFUYVCAZQIMHW-MEBBXXQBSA-N 0 1 407.268 2.391 50 0 HEAAMN O=C(CN1CCN(C(=O)c2cc3c(s2)CN(C2CCCC2)C3)CC1)N1CCCC1 ZINC000065239085 569203117 /nfs/dbraw/zinc/20/31/17/569203117.db2.gz ZMXTUYVGVUDSRF-UHFFFAOYSA-N 0 1 416.591 2.387 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(C)C ZINC000036589756 569204157 /nfs/dbraw/zinc/20/41/57/569204157.db2.gz PGZQQTBKKRSXFC-SJLPKXTDSA-N 0 1 404.442 2.412 50 0 HEAAMN CCCN1CCN(C(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065313990 569223093 /nfs/dbraw/zinc/22/30/93/569223093.db2.gz RTEDZBKHKUZBJL-NRFANRHFSA-N 0 1 423.561 2.062 50 0 HEAAMN CCOc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1O[C@H](C)C(=O)N(C)C ZINC000007127202 569225439 /nfs/dbraw/zinc/22/54/39/569225439.db2.gz WWGXNQPKKUVCPF-BFUOFWGJSA-N 0 1 422.489 2.387 50 0 HEAAMN CCCCN1C(=O)NC(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000037866277 569403178 /nfs/dbraw/zinc/40/31/78/569403178.db2.gz ZNJBULBCLWVDRA-DTQAZKPQSA-N 0 1 411.462 2.049 50 0 HEAAMN COCc1n[nH]c(-c2ccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)cc2)n1 ZINC000079477908 569431553 /nfs/dbraw/zinc/43/15/53/569431553.db2.gz QYCNGXKMYRMUGA-UHFFFAOYSA-N 0 1 411.462 2.266 50 0 HEAAMN CCN1CCN(c2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)CC1 ZINC000040118610 571174801 /nfs/dbraw/zinc/17/48/01/571174801.db2.gz JPYNXVZYBUOJAY-UHFFFAOYSA-N 0 1 414.506 2.179 50 0 HEAAMN Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)n1 ZINC000009108764 571222028 /nfs/dbraw/zinc/22/20/28/571222028.db2.gz FRMVQKMHHDOSNN-UHFFFAOYSA-N 0 1 406.475 2.483 50 0 HEAAMN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000009153145 571231393 /nfs/dbraw/zinc/23/13/93/571231393.db2.gz GFPXDTMFQQDKGT-UHFFFAOYSA-N 0 1 408.439 2.116 50 0 HEAAMN CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccc(F)cc2)c1O ZINC000009358985 571251399 /nfs/dbraw/zinc/25/13/99/571251399.db2.gz RJEFVMYEMLRILS-LJQANCHMSA-N 0 1 406.417 2.429 50 0 biogenic HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(=O)[nH]c(=O)n(-c2ccccc2F)c1[O-] ZINC000009359818 571251458 /nfs/dbraw/zinc/25/14/58/571251458.db2.gz GELXPOOMVRUBOO-LJQANCHMSA-N 0 1 422.416 2.096 50 0 biogenic HEAAMN CCOC(=O)C1C(COC(=O)[C@@H](O)c2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000010031462 571294144 /nfs/dbraw/zinc/29/41/44/571294144.db2.gz XQFODTLCLHKGCA-OALUTQOASA-N 0 1 410.426 2.135 50 0 HEAAMN CC(C)CN1CCN(C(=O)c2ccc(CC3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000581805561 1078781575 /nfs/dbraw/zinc/78/15/75/1078781575.db2.gz KKUPODWVWSNWMC-UHFFFAOYSA-N 0 1 421.607 2.315 50 0 HEAAMN CCn1cc(S(=O)(=O)N2CCC[C@H](n3c(C)cnc3C3CCOCC3)C2)cn1 ZINC000575546471 1076344669 /nfs/dbraw/zinc/34/46/69/1076344669.db2.gz OYLIRSXXGYBOJK-KRWDZBQOSA-N 0 1 407.540 2.328 50 0 HEAAMN O=C(CNc1nc(Cl)nc2[nH]cnc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009422949 132339593 /nfs/dbraw/zinc/33/95/93/132339593.db2.gz RAROQRNQIHOBKV-UHFFFAOYSA-N 0 1 406.277 2.420 50 0 HEAAMN CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020566394 520184095 /nfs/dbraw/zinc/18/40/95/520184095.db2.gz NZZSMFDCMCDBGI-KNTRCKAVSA-N 0 1 407.426 2.448 50 0 HEAAMN COc1ccc(-c2cc3ccc(OCCN4CCN(CCO)CC4)cc3oc2=O)cc1 ZINC000020573671 523121315 /nfs/dbraw/zinc/12/13/15/523121315.db2.gz QCHMPVGLRUVSTF-UHFFFAOYSA-N 0 1 424.497 2.457 50 0 HEAAMN COCc1nn2c(nnc3c2ccn(CCc2cnc[nH]2)c3=O)c1-c1ccccc1 ZINC000040391254 523249101 /nfs/dbraw/zinc/24/91/01/523249101.db2.gz XPZCZLJGKJCMDB-UHFFFAOYSA-N 0 1 401.430 2.218 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccsc2)CC1 ZINC000022766289 523917958 /nfs/dbraw/zinc/91/79/58/523917958.db2.gz OTJHNJHYJJEXTI-KRWDZBQOSA-N 0 1 408.474 2.070 50 0 HEAAMN O=C(NCCN1CCCCC1)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355717 526309017 /nfs/dbraw/zinc/30/90/17/526309017.db2.gz ZFHZTCGSEZTYJP-UHFFFAOYSA-N 0 1 402.476 2.340 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)[nH]c2c1 ZINC000009654509 535445836 /nfs/dbraw/zinc/44/58/36/535445836.db2.gz XUULAHSPGDJDHZ-KRWDZBQOSA-N 0 1 412.471 2.333 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 ZINC000009620882 535521210 /nfs/dbraw/zinc/52/12/10/535521210.db2.gz PKLDAAQSUDBLTF-UHFFFAOYSA-N 0 1 405.524 2.045 50 0 HEAAMN COc1ccccc1N1CCN(C(=O)CSc2nc(-c3cccnc3)n[nH]2)CC1 ZINC000008990620 537065696 /nfs/dbraw/zinc/06/56/96/537065696.db2.gz TZEYIDPNZLZQHL-UHFFFAOYSA-N 0 1 410.503 2.316 50 0 HEAAMN COC(=O)c1cc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc(C(=O)OC)c1 ZINC000005523182 557659594 /nfs/dbraw/zinc/65/95/94/557659594.db2.gz KBQMINQOJNDOPK-XOBRGWDASA-N 0 1 423.487 2.397 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1F ZINC000022796329 557823127 /nfs/dbraw/zinc/82/31/27/557823127.db2.gz CCAVINRKRHCHOC-HXUWFJFHSA-N 0 1 416.472 2.317 50 0 HEAAMN COc1ccc(COC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1OC ZINC000019720573 558258890 /nfs/dbraw/zinc/25/88/90/558258890.db2.gz CNLLRLCGVLQCBP-NRFANRHFSA-N 0 1 400.519 2.399 50 0 HEAAMN COc1ccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)cc1C ZINC000019839790 558293691 /nfs/dbraw/zinc/29/36/91/558293691.db2.gz QQKUTCVISAMSKU-QFIPXVFZSA-N 0 1 414.546 2.444 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)cc2-n2cnnn2)c1 ZINC000020426981 558362532 /nfs/dbraw/zinc/36/25/32/558362532.db2.gz VBWDFXPHGZVSSV-UHFFFAOYSA-N 0 1 407.839 2.067 50 0 HEAAMN COc1ccc(OCc2cc(C(=O)N3CCCN(C(C)=O)CC3)[nH]n2)c(Cl)c1 ZINC000012316495 558379935 /nfs/dbraw/zinc/37/99/35/558379935.db2.gz QFEYYMZTQKDLFP-UHFFFAOYSA-N 0 1 406.870 2.345 50 0 HEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1 ZINC000012463196 558419685 /nfs/dbraw/zinc/41/96/85/558419685.db2.gz VUXQBAWBTHTARM-HZPDHXFCSA-N 0 1 400.460 2.265 50 0 HEAAMN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012993068 558497277 /nfs/dbraw/zinc/49/72/77/558497277.db2.gz SLGKSDDJNIAHOU-FQEVSTJZSA-N 0 1 410.518 2.235 50 0 HEAAMN CC(C)S(=O)(=O)c1ncc(CN2CC[C@@H](N(C)C)C2)n1CCc1ccccc1 ZINC000022913309 558520231 /nfs/dbraw/zinc/52/02/31/558520231.db2.gz VFKAGZOYKYQYEY-LJQANCHMSA-N 0 1 404.580 2.444 50 0 HEAAMN Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1N ZINC000023006354 558530003 /nfs/dbraw/zinc/53/00/03/558530003.db2.gz RXGILJIHEQRTKS-INIZCTEOSA-N 0 1 412.519 2.043 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000023243356 558545413 /nfs/dbraw/zinc/54/54/13/558545413.db2.gz VUAJIOPUUCMWDE-UHFFFAOYSA-N 0 1 409.486 2.188 50 0 HEAAMN Cc1ccccc1N1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000023642300 558564477 /nfs/dbraw/zinc/56/44/77/558564477.db2.gz XKXQDTLDFIKXSM-UHFFFAOYSA-N 0 1 414.594 2.268 50 0 HEAAMN CN1CC(=O)N(CCCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000023731353 558571449 /nfs/dbraw/zinc/57/14/49/558571449.db2.gz KRMWGVGIXDIKAJ-UHFFFAOYSA-N 0 1 408.502 2.158 50 0 HEAAMN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329115 558638158 /nfs/dbraw/zinc/63/81/58/558638158.db2.gz JNGPFHZANKXHDS-RDJZCZTQSA-N 0 1 415.515 2.291 50 0 HEAAMN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014240366 558643271 /nfs/dbraw/zinc/64/32/71/558643271.db2.gz GNCSSHFMUIZAOP-QFIPXVFZSA-N 0 1 409.534 2.155 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000025816222 558650729 /nfs/dbraw/zinc/65/07/29/558650729.db2.gz HGLAQTAOYCZVRG-KURKYZTESA-N 0 1 421.563 2.449 50 0 HEAAMN O=S(=O)(Nc1cccc2cccnc21)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026228253 558657559 /nfs/dbraw/zinc/65/75/59/558657559.db2.gz JGFKZFUISVFUSO-UHFFFAOYSA-N 0 1 403.485 2.476 50 0 HEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(C)n2)CC3)cc1 ZINC000014882782 558676751 /nfs/dbraw/zinc/67/67/51/558676751.db2.gz FSMVQKHQZWUFAN-UHFFFAOYSA-N 0 1 420.517 2.021 50 0 HEAAMN COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1 ZINC000028435164 558701165 /nfs/dbraw/zinc/70/11/65/558701165.db2.gz ZVIZUTSCSUQABL-QGZVFWFLSA-N 0 1 408.502 2.439 50 0 HEAAMN COc1ccc2c(c1)C[C@@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938005 558728225 /nfs/dbraw/zinc/72/82/25/558728225.db2.gz OBLFXDPEFQREJV-OAQYLSRUSA-N 0 1 409.530 2.180 50 0 HEAAMN CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022104 558767979 /nfs/dbraw/zinc/76/79/79/558767979.db2.gz DGFGEQTWBFZXIJ-AZXNSQLWSA-N 0 1 421.472 2.445 50 0 HEAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022253 558768190 /nfs/dbraw/zinc/76/81/90/558768190.db2.gz KZZWSFLSIRDUQY-YYQBIWNASA-N 0 1 405.495 2.098 50 0 HEAAMN C[C@@H]1CN(C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C[C@H](C)O1 ZINC000016346734 558787071 /nfs/dbraw/zinc/78/70/71/558787071.db2.gz LLIVUENUKHJEGG-BETUJISGSA-N 0 1 407.521 2.083 50 0 HEAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033351 558857544 /nfs/dbraw/zinc/85/75/44/558857544.db2.gz ORUJHFZRTLZSQE-UHFFFAOYSA-N 0 1 416.547 2.216 50 0 HEAAMN COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)[nH]n2)cc1S(N)(=O)=O ZINC000021806120 558951958 /nfs/dbraw/zinc/95/19/58/558951958.db2.gz XDGOPWDCXPXUNQ-UHFFFAOYSA-N 0 1 414.443 2.188 50 0 HEAAMN CCc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 ZINC000065365770 558976651 /nfs/dbraw/zinc/97/66/51/558976651.db2.gz XWOBLLKPTYUBSS-UHFFFAOYSA-N 0 1 415.563 2.459 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000072441664 558981770 /nfs/dbraw/zinc/98/17/70/558981770.db2.gz CXDOQSVCICGXHF-UHFFFAOYSA-N 0 1 411.478 2.444 50 0 HEAAMN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC(C(N)=O)CC1 ZINC000067773093 558992642 /nfs/dbraw/zinc/99/26/42/558992642.db2.gz ZQVCPDHUAZTYKX-UHFFFAOYSA-N 0 1 405.502 2.304 50 0 HEAAMN O=C([O-])CC[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC[C@@H]1N1CCOCC1 ZINC000095390337 559080866 /nfs/dbraw/zinc/08/08/66/559080866.db2.gz KTANOHBPMPHGPS-UXHICEINSA-N 0 1 402.539 2.069 50 0 HEAAMN COc1ccc(N2C(=O)C[C@H](NCCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100129429 559130196 /nfs/dbraw/zinc/13/01/96/559130196.db2.gz CWRGXIWWEOXZIV-KRWDZBQOSA-N 0 1 401.850 2.000 50 0 HEAAMN COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000005075830 559241057 /nfs/dbraw/zinc/24/10/57/559241057.db2.gz VHTSRHXYOOAMHA-UHFFFAOYSA-N 0 1 414.480 2.483 50 0 HEAAMN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C2CCN(C)CC2)c2ccccc21 ZINC000005086948 559243036 /nfs/dbraw/zinc/24/30/36/559243036.db2.gz GTYGKYOJKANPBZ-UHFFFAOYSA-N 0 1 412.534 2.245 50 0 HEAAMN COc1ccc(N2C(=O)[C@H](C)NC2=S)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015570597 560855464 /nfs/dbraw/zinc/85/54/64/560855464.db2.gz HEDNSXOXZHJJBD-JTQLQIEISA-N 0 1 409.464 2.245 50 0 HEAAMN CCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000106169420 560884962 /nfs/dbraw/zinc/88/49/62/560884962.db2.gz XCVJZHWMPQMWIY-MJGOQNOKSA-N 0 1 416.566 2.273 50 0 HEAAMN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000048263729 568433829 /nfs/dbraw/zinc/43/38/29/568433829.db2.gz AXQSCQPXECAXDX-RDGPPVDQSA-N 0 1 419.566 2.455 50 0 HEAAMN O=C(c1nnc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)c[nH]2)o1)N1CCCC1 ZINC000085808916 568442435 /nfs/dbraw/zinc/44/24/35/568442435.db2.gz YGLHWCNYHVWBFC-UHFFFAOYSA-N 0 1 423.401 2.380 50 0 HEAAMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000095458545 568618995 /nfs/dbraw/zinc/61/89/95/568618995.db2.gz CHKIMDLPCIVZOQ-AWEZNQCLSA-N 0 1 417.333 2.446 50 0 HEAAMN COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)[nH]n2)cc1 ZINC000095473160 568628599 /nfs/dbraw/zinc/62/85/99/568628599.db2.gz LBZMZXWZGQKHIR-AWEZNQCLSA-N 0 1 415.475 2.202 50 0 HEAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000095481023 568633742 /nfs/dbraw/zinc/63/37/42/568633742.db2.gz NEOVVIVDFOKJHO-HRAATJIYSA-N 0 1 418.925 2.270 50 0 HEAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000095481023 568633743 /nfs/dbraw/zinc/63/37/43/568633743.db2.gz NEOVVIVDFOKJHO-HRAATJIYSA-N 0 1 418.925 2.270 50 0 HEAAMN CCc1n[nH]c(=O)c(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1CC ZINC000225444161 568638501 /nfs/dbraw/zinc/63/85/01/568638501.db2.gz KYZWBBFXGSLUSF-MRXNPFEDSA-N 0 1 400.548 2.242 50 0 HEAAMN C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020979125 568654127 /nfs/dbraw/zinc/65/41/27/568654127.db2.gz OIBPNFMOFNHRQG-GFCCVEGCSA-N 0 1 418.504 2.130 50 0 HEAAMN O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000021527759 568709692 /nfs/dbraw/zinc/70/96/92/568709692.db2.gz XIGVJGZGISPLBK-UHFFFAOYSA-N 0 1 408.568 2.280 50 0 HEAAMN Cc1ccn(C[C@](C)(O)C(=O)Nc2cccc(CN3CCSCC3)c2C)c(=O)c1 ZINC000242346909 568732769 /nfs/dbraw/zinc/73/27/69/568732769.db2.gz ZKCCWABJCXBWJX-QFIPXVFZSA-N 0 1 415.559 2.404 50 0 HEAAMN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1 ZINC000021698476 568741197 /nfs/dbraw/zinc/74/11/97/568741197.db2.gz JMSJHSANRJGGPQ-FQEVSTJZSA-N 0 1 422.485 2.323 50 0 HEAAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 ZINC000022579208 568770424 /nfs/dbraw/zinc/77/04/24/568770424.db2.gz LMEZNFNMHCDXQG-QFIPXVFZSA-N 0 1 424.545 2.301 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCN(C)CC2)cc1 ZINC000022582723 568770631 /nfs/dbraw/zinc/77/06/31/568770631.db2.gz BMGPCODSKBJDDQ-FQEVSTJZSA-N 0 1 416.472 2.317 50 0 HEAAMN Cc1ccc2nc(SCC(=O)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)[nH]c2c1 ZINC000002657240 568798061 /nfs/dbraw/zinc/79/80/61/568798061.db2.gz OWDKCONGTYRQRK-UHFFFAOYSA-N 0 1 421.482 2.327 50 0 HEAAMN Cc1ccc(N2CCN(CCCNC(=O)c3nc(-c4cncnc4)no3)CC2)c(C)c1 ZINC000029043098 568815598 /nfs/dbraw/zinc/81/55/98/568815598.db2.gz VRKUEEDEORVPLW-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000057851659 568863445 /nfs/dbraw/zinc/86/34/45/568863445.db2.gz KLJWWEXWEOCRNI-KRWDZBQOSA-N 0 1 417.531 2.305 50 0 HEAAMN Cc1cnn(C)c1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299761856 568873284 /nfs/dbraw/zinc/87/32/84/568873284.db2.gz AXQGOESHEZJZAK-FQEVSTJZSA-N 0 1 416.497 2.138 50 0 HEAAMN COc1ccccc1COC[C@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000058010146 568875393 /nfs/dbraw/zinc/87/53/93/568875393.db2.gz MSXKKNTULQHTCF-OAQYLSRUSA-N 0 1 410.518 2.038 50 0 HEAAMN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CCc2[nH]c3ccccc3c2C1 ZINC000263585642 568878707 /nfs/dbraw/zinc/87/87/07/568878707.db2.gz KYJQSBPGHQUQST-DLBZAZTESA-N 0 1 402.498 2.334 50 0 biogenic HEAAMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)cc(S(N)(=O)=O)c1C ZINC000670440191 568892080 /nfs/dbraw/zinc/89/20/80/568892080.db2.gz YEXILRSBIPSPPQ-INIZCTEOSA-N 0 1 407.561 2.407 50 0 HEAAMN Cc1cc(CN2CCSCC2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000058154693 568893197 /nfs/dbraw/zinc/89/31/97/568893197.db2.gz XMLBTNKWSIZBDL-UHFFFAOYSA-N 0 1 411.593 2.154 50 0 HEAAMN CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1Cl ZINC000012772042 568952255 /nfs/dbraw/zinc/95/22/55/568952255.db2.gz URXXOOMUECZFLP-INIZCTEOSA-N 0 1 413.902 2.420 50 0 HEAAMN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000015727718 568978748 /nfs/dbraw/zinc/97/87/48/568978748.db2.gz PVWKRWPQTSQHDG-UHFFFAOYSA-N 0 1 413.522 2.458 50 0 HEAAMN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000015773276 568998860 /nfs/dbraw/zinc/99/88/60/568998860.db2.gz BXBBZVUFEVNYGJ-QHCPKHFHSA-N 0 1 424.520 2.432 50 0 HEAAMN CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779595 569002048 /nfs/dbraw/zinc/00/20/48/569002048.db2.gz RCXSEENNMOHKLQ-UHFFFAOYSA-N 0 1 409.534 2.338 50 0 HEAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3cccc4nsnc43)n[nH]2)cc1 ZINC000015865246 569016570 /nfs/dbraw/zinc/01/65/70/569016570.db2.gz NCYAVAOOSIBBDA-UHFFFAOYSA-N 0 1 414.516 2.230 50 0 HEAAMN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000016123179 569029138 /nfs/dbraw/zinc/02/91/38/569029138.db2.gz KZSCHIWQZANBEX-UHFFFAOYSA-N 0 1 405.295 2.158 50 0 HEAAMN Cc1c(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(C)cc3)n2)cnn1C(F)F ZINC000035509283 569041092 /nfs/dbraw/zinc/04/10/92/569041092.db2.gz HSZMNERHLHQBFS-UHFFFAOYSA-N 0 1 410.450 2.125 50 0 HEAAMN COc1cccc(CN2CCC[C@]3(CCN(Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578876 569073457 /nfs/dbraw/zinc/07/34/57/569073457.db2.gz VCVXENOIFYBXTO-OAQYLSRUSA-N 0 1 400.479 2.410 50 0 HEAAMN CCCCN1CCn2nc(CNC(=O)c3nn4cc(C)cnc4c3Cl)cc2C1 ZINC000426599483 569073589 /nfs/dbraw/zinc/07/35/89/569073589.db2.gz DMQWXKLBKLJEPZ-UHFFFAOYSA-N 0 1 401.902 2.433 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000035991707 569074747 /nfs/dbraw/zinc/07/47/47/569074747.db2.gz NXMMANLMSABBPR-FQEVSTJZSA-N 0 1 400.523 2.064 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)n1 ZINC000064800705 569097423 /nfs/dbraw/zinc/09/74/23/569097423.db2.gz KFGSWOZYNLAODL-UHFFFAOYSA-N 0 1 419.551 2.353 50 0 HEAAMN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)CC[C@H](C)C3 ZINC000006764633 569114348 /nfs/dbraw/zinc/11/43/48/569114348.db2.gz JPPQYLLUOJLTJJ-AWEZNQCLSA-N 0 1 419.547 2.008 50 0 HEAAMN Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000006800775 569128854 /nfs/dbraw/zinc/12/88/54/569128854.db2.gz JGNDNXWVUVAZPC-UHFFFAOYSA-N 0 1 401.448 2.454 50 0 HEAAMN CCCN1CCN(C(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971205 569138896 /nfs/dbraw/zinc/13/88/96/569138896.db2.gz GDBWWOHSSODBHO-SFHVURJKSA-N 0 1 422.533 2.314 50 0 HEAAMN C[C@H]1CCCCN1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839875 569151160 /nfs/dbraw/zinc/15/11/60/569151160.db2.gz LMHVELFNZZDADC-HNNXBMFYSA-N 0 1 416.547 2.369 50 0 HEAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369835 569153763 /nfs/dbraw/zinc/15/37/63/569153763.db2.gz QHZKNAZWHFFRKC-RDGATRHJSA-N 0 1 412.493 2.354 50 0 HEAAMN O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCN2CCCC[C@@H]2C1 ZINC000065475254 569231414 /nfs/dbraw/zinc/23/14/14/569231414.db2.gz KNNBOSIAGUCNBE-HUUCEWRRSA-N 0 1 406.324 2.499 50 0 HEAAMN O=C(CCn1cc(Br)ccc1=O)NCCN1CCc2ccccc2C1 ZINC000065548333 569234835 /nfs/dbraw/zinc/23/48/35/569234835.db2.gz SKZUWKSCFWXAEJ-UHFFFAOYSA-N 0 1 404.308 2.175 50 0 HEAAMN CC(C)CC(=O)N1CCC(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000170597298 569242064 /nfs/dbraw/zinc/24/20/64/569242064.db2.gz WNSHBXDDZUHJMO-UHFFFAOYSA-N 0 1 415.534 2.458 50 0 HEAAMN C[C@H]1COC[C@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000089941342 569269288 /nfs/dbraw/zinc/26/92/88/569269288.db2.gz CWOHPHBAXWMFDZ-UWVGGRQHSA-N 0 1 412.227 2.382 50 0 HEAAMN C[C@@H]1COC[C@@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000089941343 569269312 /nfs/dbraw/zinc/26/93/12/569269312.db2.gz CWOHPHBAXWMFDZ-NXEZZACHSA-N 0 1 412.227 2.382 50 0 HEAAMN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H]1c1ccsc1 ZINC000252452568 569286504 /nfs/dbraw/zinc/28/65/04/569286504.db2.gz PKKLOVRVTFARJH-KSSFIOAISA-N 0 1 407.561 2.280 50 0 HEAAMN O=C(CCN[C@H](c1c[nH]nn1)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000252485117 569289183 /nfs/dbraw/zinc/28/91/83/569289183.db2.gz GNQQMAOZMLRHJO-QFIPXVFZSA-N 0 1 408.481 2.362 50 0 HEAAMN CS[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@H]1N1CCCC1 ZINC000252486462 569289272 /nfs/dbraw/zinc/28/92/72/569289272.db2.gz KJBAEFFVLSRNCH-MKSNKDDYSA-N 0 1 400.610 2.223 50 0 HEAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000252497397 569290884 /nfs/dbraw/zinc/29/08/84/569290884.db2.gz QGGQAKGBONGWFN-UHFFFAOYSA-N 0 1 410.503 2.269 50 0 HEAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008695444 571102517 /nfs/dbraw/zinc/10/25/17/571102517.db2.gz VBSJTKKSKXYAHT-XMSQKQJNSA-N 0 1 421.409 2.286 50 0 HEAAMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000040121464 571177480 /nfs/dbraw/zinc/17/74/80/571177480.db2.gz YSAVBHMETHACGU-IBGZPJMESA-N 0 1 400.910 2.497 50 0 HEAAMN CCOC(=O)c1ccc2nc(N[C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009090070 571220303 /nfs/dbraw/zinc/22/03/03/571220303.db2.gz OZAYYZSYGMTCBX-HNNXBMFYSA-N 0 1 419.381 2.453 50 0 HEAAMN COc1ccc(NC(=O)c2ccc(CN3CCC(NS(C)(=O)=O)CC3)cc2)cc1 ZINC000010043218 571294401 /nfs/dbraw/zinc/29/44/01/571294401.db2.gz DMTCBMRGPSFHQL-UHFFFAOYSA-N 0 1 417.531 2.461 50 0 HEAAMN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCCN(C2CC2)CC1 ZINC000071846709 571303356 /nfs/dbraw/zinc/30/33/56/571303356.db2.gz XBLPUSUROCLXKD-UHFFFAOYSA-N 0 1 411.955 2.435 50 0 HEAAMN Cc1cnc(C(=O)N2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803551 1078779995 /nfs/dbraw/zinc/77/99/95/1078779995.db2.gz XNSIPUJHRLGRJQ-HXUWFJFHSA-N 0 1 400.523 2.050 50 0 HEAAMN Cn1cnc(S(=O)(=O)N2CCC(N3C[C@@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317158 1076231576 /nfs/dbraw/zinc/23/15/76/1076231576.db2.gz CRLHGRHMVCNFTE-LJQANCHMSA-N 0 1 422.595 2.387 50 0 HEAAMN COc1cc(NC(=O)C2CCN(c3ncnc4[nH]cnc43)CC2)cc(OC)c1OC ZINC000009060437 132335402 /nfs/dbraw/zinc/33/54/02/132335402.db2.gz NPTIBGHVWBKTNQ-UHFFFAOYSA-N 0 1 412.450 2.234 50 0 HEAAMN O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011698044 132350155 /nfs/dbraw/zinc/35/01/55/132350155.db2.gz YYNNNSFHMWJBMV-UHFFFAOYSA-N 0 1 410.503 2.267 50 0 HEAAMN CCCN1CCN(C(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574631 519856044 /nfs/dbraw/zinc/85/60/44/519856044.db2.gz YSFTYPRQZJHCEM-UHFFFAOYSA-N 0 1 413.453 2.135 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2ccc(N(C)C)nc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000032831416 520522956 /nfs/dbraw/zinc/52/29/56/520522956.db2.gz HJOYNCZMPQHBFQ-LJQANCHMSA-N 0 1 424.457 2.176 50 0 HEAAMN CCOC(=O)C1=C(Cn2cnc3cc(F)ccc3c2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000032829536 520527729 /nfs/dbraw/zinc/52/77/29/520527729.db2.gz VECWJZHTUHNTMD-LJQANCHMSA-N 0 1 422.416 2.407 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766160 523916117 /nfs/dbraw/zinc/91/61/17/523916117.db2.gz ARGCNPZIXLTORD-SFHVURJKSA-N 0 1 420.966 2.123 50 0 HEAAMN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000032900878 524180103 /nfs/dbraw/zinc/18/01/03/524180103.db2.gz MZBLFNSXCFMKFC-FQEVSTJZSA-N 0 1 418.559 2.486 50 0 HEAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@H](C)O1 ZINC000032830659 524994746 /nfs/dbraw/zinc/99/47/46/524994746.db2.gz RVNYSBFMEVJLKN-GASCZTMLSA-N 0 1 412.515 2.295 50 0 HEAAMN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1O ZINC000031811413 525270394 /nfs/dbraw/zinc/27/03/94/525270394.db2.gz ROSFRHXSUMYUIU-INIZCTEOSA-N 0 1 423.458 2.336 50 0 HEAAMN Cc1oc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000042381398 526761521 /nfs/dbraw/zinc/76/15/21/526761521.db2.gz JNKJSDFJZZPIBL-SFHVURJKSA-N 0 1 417.531 2.377 50 0 HEAAMN O=C(Nc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000032904763 527443833 /nfs/dbraw/zinc/44/38/33/527443833.db2.gz YAAOAMBSOZPCFG-UHFFFAOYSA-N 0 1 409.427 2.304 50 0 HEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677082 557364149 /nfs/dbraw/zinc/36/41/49/557364149.db2.gz QHLCSWHAUUJEIQ-IBGZPJMESA-N 0 1 400.523 2.273 50 0 HEAAMN C[C@@H]1CN(C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C[C@@H](C)O1 ZINC000005041577 557628662 /nfs/dbraw/zinc/62/86/62/557628662.db2.gz LLIVUENUKHJEGG-CHWSQXEVSA-N 0 1 407.521 2.083 50 0 HEAAMN COC(=O)c1cc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc(C(=O)OC)c1 ZINC000005523158 557659634 /nfs/dbraw/zinc/65/96/34/557659634.db2.gz KBQMINQOJNDOPK-JLTOFOAXSA-N 0 1 423.487 2.397 50 0 HEAAMN CCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1 ZINC000022698406 557794225 /nfs/dbraw/zinc/79/42/25/557794225.db2.gz IFOFVTOKUBZZLD-UHFFFAOYSA-N 0 1 415.563 2.459 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(F)cc2)CC1 ZINC000022778671 557821395 /nfs/dbraw/zinc/82/13/95/557821395.db2.gz FILWTMCVDFKCQF-LJQANCHMSA-N 0 1 402.445 2.008 50 0 HEAAMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022796343 557823388 /nfs/dbraw/zinc/82/33/88/557823388.db2.gz BNEOOSRZZIGVNL-OAQYLSRUSA-N 0 1 412.509 2.432 50 0 HEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(F)c2)CC3)cc1 ZINC000012191733 558347887 /nfs/dbraw/zinc/34/78/87/558347887.db2.gz CVKKKVZVQYJWCO-UHFFFAOYSA-N 0 1 423.492 2.457 50 0 HEAAMN Cn1cnnc1-c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000020428571 558362732 /nfs/dbraw/zinc/36/27/32/558362732.db2.gz ICBIYLDUBDLUEV-UHFFFAOYSA-N 0 1 419.850 2.381 50 0 HEAAMN Cc1cccc2nc(CN(C)Cc3cnc(S(C)(=O)=O)n3C[C@H]3CCCO3)[nH]c21 ZINC000012316861 558380277 /nfs/dbraw/zinc/38/02/77/558380277.db2.gz LMIRNIPVYSSWEO-MRXNPFEDSA-N 0 1 417.535 2.282 50 0 HEAAMN CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)s1 ZINC000020515271 558382601 /nfs/dbraw/zinc/38/26/01/558382601.db2.gz ZZBHARXOLYQJCQ-AWEZNQCLSA-N 0 1 404.540 2.218 50 0 HEAAMN CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000020517992 558383137 /nfs/dbraw/zinc/38/31/37/558383137.db2.gz BBJAVEZXMFGKFY-PABYOWBDSA-N 0 1 407.445 2.402 50 0 HEAAMN COCCn1nc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)ccc1=O ZINC000022619476 558503027 /nfs/dbraw/zinc/50/30/27/558503027.db2.gz DZCMMHBAAXAGMV-SFHVURJKSA-N 0 1 404.898 2.110 50 0 HEAAMN O=C(CN1CCN(Cc2ccsc2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000022799325 558512553 /nfs/dbraw/zinc/51/25/53/558512553.db2.gz MZDHDQAGNSOUKC-UHFFFAOYSA-N 0 1 420.623 2.017 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000023134037 558537344 /nfs/dbraw/zinc/53/73/44/558537344.db2.gz RHZBJFREYWQCBQ-UHFFFAOYSA-N 0 1 416.547 2.006 50 0 HEAAMN O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023642394 558564564 /nfs/dbraw/zinc/56/45/64/558564564.db2.gz YMFZJHCRVJVHSE-UHFFFAOYSA-N 0 1 418.557 2.099 50 0 HEAAMN Cc1cc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742468 558667625 /nfs/dbraw/zinc/66/76/25/558667625.db2.gz VETCHLBDLAVQKF-QGZVFWFLSA-N 0 1 415.538 2.297 50 0 HEAAMN Cn1c2cn(CCCN3CCOCC3)c(-c3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000015083279 558719779 /nfs/dbraw/zinc/71/97/79/558719779.db2.gz GAXQCCPSSUQBFJ-UHFFFAOYSA-N 0 1 416.909 2.081 50 0 HEAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(Cl)cc3)N(C(C)=O)N2)C1=O ZINC000017028573 558812431 /nfs/dbraw/zinc/81/24/31/558812431.db2.gz JPMAFFJEMGNVKR-VZHUHSAUSA-N 0 1 420.853 2.347 50 0 HEAAMN CC(=O)N1c2ccccc2[C@@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=N)N2)C1=O ZINC000019321149 558867508 /nfs/dbraw/zinc/86/75/08/558867508.db2.gz OFNGGMMPGNUHAW-GOSISDBHSA-N 0 1 416.363 2.137 50 0 HEAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CC1 ZINC000055042005 558870462 /nfs/dbraw/zinc/87/04/62/558870462.db2.gz YYEVXUIYYZQHQM-LJQANCHMSA-N 0 1 424.545 2.427 50 0 HEAAMN CC(=O)NCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004657965 558872203 /nfs/dbraw/zinc/87/22/03/558872203.db2.gz DVPNPHISMAZXAN-UHFFFAOYSA-N 0 1 402.520 2.118 50 0 HEAAMN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1OC ZINC000058144231 558901724 /nfs/dbraw/zinc/90/17/24/558901724.db2.gz KDRSCDQTLAVZSL-UHFFFAOYSA-N 0 1 409.552 2.036 50 0 HEAAMN COc1ccc(F)c(C[N@@H+]2C[C@H](C(=O)NCc3ccccn3)C[C@H](C(=O)[O-])C2)c1 ZINC000072154523 558929800 /nfs/dbraw/zinc/92/98/00/558929800.db2.gz ZLZWYLLWXFFHSE-CVEARBPZSA-N 0 1 401.438 2.068 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(N2CCOCC2)n1 ZINC000064800258 558966063 /nfs/dbraw/zinc/96/60/63/558966063.db2.gz AWXHJUNEOCTMHB-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC13CCCCC3)CC2 ZINC000095500323 559082241 /nfs/dbraw/zinc/08/22/41/559082241.db2.gz GFTJOGMKKXTHSB-MRXNPFEDSA-N 0 1 400.523 2.229 50 0 HEAAMN COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O ZINC000205949127 559177956 /nfs/dbraw/zinc/17/79/56/559177956.db2.gz GBWDKNVMEHFLLX-CYBMUJFWSA-N 0 1 414.414 2.126 50 0 HEAAMN C[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000035535031 559187205 /nfs/dbraw/zinc/18/72/05/559187205.db2.gz OPPQZYINFOWARV-INIZCTEOSA-N 0 1 405.458 2.224 50 0 HEAAMN COC(=O)C1C(CSc2nccn2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000004911443 559202742 /nfs/dbraw/zinc/20/27/42/559202742.db2.gz AEEQVGPLSBBXMW-INIZCTEOSA-N 0 1 418.475 2.011 50 0 HEAAMN CCN(CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(OC)cc2)oc1C ZINC000005058417 559238636 /nfs/dbraw/zinc/23/86/36/559238636.db2.gz AQDXUMOBCOINFP-UHFFFAOYSA-N 0 1 423.535 2.031 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000011858329 559263054 /nfs/dbraw/zinc/26/30/54/559263054.db2.gz RJIJLFHEENTPNB-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN CCCNC(=O)C1(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCCC1 ZINC000079023248 560541399 /nfs/dbraw/zinc/54/13/99/560541399.db2.gz OACGKFMQJCDQJY-UHFFFAOYSA-N 0 1 400.523 2.336 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21c2ccccc2NC1=O ZINC000005347254 560570563 /nfs/dbraw/zinc/57/05/63/560570563.db2.gz HLDAZIGKCCKODR-NNBPKYSQSA-N 0 1 403.482 2.448 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2C)N2CCCC2)cc1 ZINC000017911972 560730479 /nfs/dbraw/zinc/73/04/79/560730479.db2.gz ZCFFTBNKBPXFNI-HXUWFJFHSA-N 0 1 417.531 2.218 50 0 HEAAMN COc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2C)N2CCCC2)cc1 ZINC000017911973 560730494 /nfs/dbraw/zinc/73/04/94/560730494.db2.gz ZCFFTBNKBPXFNI-FQEVSTJZSA-N 0 1 417.531 2.218 50 0 HEAAMN CCOC(=O)c1sc2ncc(S(=O)(=O)NCCCN3CC=CC3)cc2c1C ZINC000101416872 560794708 /nfs/dbraw/zinc/79/47/08/560794708.db2.gz JOROTVBMATYTAG-UHFFFAOYSA-N 0 1 409.533 2.322 50 0 HEAAMN O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000047734563 568431027 /nfs/dbraw/zinc/43/10/27/568431027.db2.gz OIBVYKKZPIECSH-UHFFFAOYSA-N 0 1 418.501 2.473 50 0 HEAAMN COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604418820 568492956 /nfs/dbraw/zinc/49/29/56/568492956.db2.gz HZBOQLKHESKWIP-KRWDZBQOSA-N 0 1 413.478 2.301 50 0 HEAAMN Cc1noc(/C=C\c2ccc(S(=O)(=O)NCCN(C)C)cc2)c1NC(=O)C1CC1 ZINC000033171082 568511727 /nfs/dbraw/zinc/51/17/27/568511727.db2.gz CZBQWUYGGBUQHG-WDZFZDKYSA-N 0 1 418.519 2.342 50 0 HEAAMN CN1CCN(C2(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)CCCC2)CC1 ZINC000095405497 568605924 /nfs/dbraw/zinc/60/59/24/568605924.db2.gz CVOQCBCWLZTMAH-UHFFFAOYSA-N 0 1 416.541 2.107 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)Nc2cccnc2)ccc1I ZINC000095466395 568624366 /nfs/dbraw/zinc/62/43/66/568624366.db2.gz FFKPXFVDWNEMHZ-UHFFFAOYSA-N 0 1 418.212 2.274 50 0 HEAAMN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1(c2nnc[nH]2)CCC1 ZINC000225557150 568650975 /nfs/dbraw/zinc/65/09/75/568650975.db2.gz SWLQZEGIUATKRX-UHFFFAOYSA-N 0 1 417.535 2.108 50 0 HEAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](OCc3ccccc3)C2)C1 ZINC000225747730 568670690 /nfs/dbraw/zinc/67/06/90/568670690.db2.gz MOXKZNIJFFCLSV-IEBWSBKVSA-N 0 1 412.490 2.138 50 0 HEAAMN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 ZINC000096099621 568690670 /nfs/dbraw/zinc/69/06/70/568690670.db2.gz RHXGYLIHTLJVGQ-UHFFFAOYSA-N 0 1 400.460 2.045 50 0 HEAAMN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2[nH]nc3ccccc32)C(C)C)cc1 ZINC000096386757 568743413 /nfs/dbraw/zinc/74/34/13/568743413.db2.gz JXQMFHUMZAJNFQ-LJQANCHMSA-N 0 1 400.504 2.491 50 0 HEAAMN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000942837 568753705 /nfs/dbraw/zinc/75/37/05/568753705.db2.gz HJDRIMRDLVGUBH-UHFFFAOYSA-N 0 1 414.443 2.304 50 0 HEAAMN CCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)[nH]n2)CC1 ZINC000057413300 568833295 /nfs/dbraw/zinc/83/32/95/568833295.db2.gz PQFJLIBVGAHCKV-UHFFFAOYSA-N 0 1 413.522 2.150 50 0 HEAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415512 568833993 /nfs/dbraw/zinc/83/39/93/568833993.db2.gz DVQGQJWUVQIRTG-SFHVURJKSA-N 0 1 405.520 2.305 50 0 HEAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000003339419 568855435 /nfs/dbraw/zinc/85/54/35/568855435.db2.gz QGVBPNPAAJMAAQ-UHFFFAOYSA-N 0 1 409.493 2.121 50 0 HEAAMN O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000003209307 568861813 /nfs/dbraw/zinc/86/18/13/568861813.db2.gz GSJWPTHDJLLGTO-UHFFFAOYSA-N 0 1 402.407 2.434 50 0 HEAAMN CCCCN1CCn2nc(CNC(=O)N3CCC[C@@H](c4nnc(C)[nH]4)C3)cc2C1 ZINC000534647350 568878917 /nfs/dbraw/zinc/87/89/17/568878917.db2.gz HYKJRZDCSNFLFB-MRXNPFEDSA-N 0 1 400.531 2.015 50 0 HEAAMN CN(CCN1CCCC1=O)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000083860895 568921358 /nfs/dbraw/zinc/92/13/58/568921358.db2.gz BPBSWETVOXNDIV-IBGZPJMESA-N 0 1 406.958 2.147 50 0 HEAAMN O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008319959 568990517 /nfs/dbraw/zinc/99/05/17/568990517.db2.gz SZQMUXRNDSLWLD-GOSISDBHSA-N 0 1 419.572 2.418 50 0 HEAAMN CCCN1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1 ZINC000085628140 569004968 /nfs/dbraw/zinc/00/49/68/569004968.db2.gz HBASXIUPKGKGGN-SFHVURJKSA-N 0 1 411.550 2.187 50 0 HEAAMN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000035431398 569037115 /nfs/dbraw/zinc/03/71/15/569037115.db2.gz SSZRXCVDNOQGNZ-UHFFFAOYSA-N 0 1 414.469 2.480 50 0 HEAAMN CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccc(C)cc3)NC(=O)N2)C1 ZINC000226264224 569039866 /nfs/dbraw/zinc/03/98/66/569039866.db2.gz UILJAMLNYWBFCL-VQIMIIECSA-N 0 1 415.490 2.051 50 0 HEAAMN Cc1ccc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c(C)c1 ZINC000064459852 569063010 /nfs/dbraw/zinc/06/30/10/569063010.db2.gz ISAVEEDUKJOADD-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035877151 569064316 /nfs/dbraw/zinc/06/43/16/569064316.db2.gz WDEINBOUOXDXJQ-MTXNFPGFSA-N 0 1 401.466 2.156 50 0 HEAAMN COc1cccc(CN2CCC[C@@]3(CCN(Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578875 569073490 /nfs/dbraw/zinc/07/34/90/569073490.db2.gz VCVXENOIFYBXTO-NRFANRHFSA-N 0 1 400.479 2.410 50 0 HEAAMN COc1cc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)cc(OC)c1OC ZINC000006724357 569100038 /nfs/dbraw/zinc/10/00/38/569100038.db2.gz YWYDFCOFTYVARF-UHFFFAOYSA-N 0 1 402.451 2.386 50 0 HEAAMN CN(C)[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1 ZINC000036310008 569131228 /nfs/dbraw/zinc/13/12/28/569131228.db2.gz ITFVQSCQECHFTB-SNVBAGLBSA-N 0 1 400.298 2.253 50 0 HEAAMN O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc2nsnc21 ZINC000064969577 569138187 /nfs/dbraw/zinc/13/81/87/569138187.db2.gz JGUKNZNBLCKNGO-UHFFFAOYSA-N 0 1 404.452 2.137 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(C)c3)n2)c1 ZINC000064969844 569138655 /nfs/dbraw/zinc/13/86/55/569138655.db2.gz LFROOCYZFNYOIV-UHFFFAOYSA-N 0 1 416.503 2.242 50 0 HEAAMN CC1CCN(CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000006839667 569150376 /nfs/dbraw/zinc/15/03/76/569150376.db2.gz HBPNWRGQTPXNSS-UHFFFAOYSA-N 0 1 416.547 2.226 50 0 HEAAMN CC1CCN(CCNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)CC1 ZINC000065111846 569180391 /nfs/dbraw/zinc/18/03/91/569180391.db2.gz VPLKSZZEGQWKNV-UHFFFAOYSA-N 0 1 419.869 2.141 50 0 HEAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000017012886 569271347 /nfs/dbraw/zinc/27/13/47/569271347.db2.gz SSZRRWJKTOXXER-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000007451848 569280542 /nfs/dbraw/zinc/28/05/42/569280542.db2.gz ISSSDOOULVQKLG-UHFFFAOYSA-N 0 1 409.490 2.466 50 0 HEAAMN C[C@H](NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887302 569325262 /nfs/dbraw/zinc/32/52/62/569325262.db2.gz KYGDFRZXJUQQBF-AVRDEDQJSA-N 0 1 413.562 2.313 50 0 HEAAMN COC(=O)NCCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000078993812 569423181 /nfs/dbraw/zinc/42/31/81/569423181.db2.gz DAHHZLHTZOYPHY-UHFFFAOYSA-N 0 1 418.454 2.181 50 0 HEAAMN COC(=O)NCCC(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000078993812 569423182 /nfs/dbraw/zinc/42/31/82/569423182.db2.gz DAHHZLHTZOYPHY-UHFFFAOYSA-N 0 1 418.454 2.181 50 0 HEAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008695445 571102630 /nfs/dbraw/zinc/10/26/30/571102630.db2.gz VBSJTKKSKXYAHT-GCJKJVERSA-N 0 1 421.409 2.286 50 0 HEAAMN COc1ccccc1-n1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000009332633 571248744 /nfs/dbraw/zinc/24/87/44/571248744.db2.gz OUQZQSNNIGHABI-FQEVSTJZSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009355980 571251122 /nfs/dbraw/zinc/25/11/22/571251122.db2.gz ANZHLYQGTMJWAP-UHFFFAOYSA-N 0 1 423.516 2.095 50 0 HEAAMN COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CN2CCC(C)CC2)cc1=O ZINC000009621984 571274176 /nfs/dbraw/zinc/27/41/76/571274176.db2.gz LHHBBBMWZQYUQI-UHFFFAOYSA-N 0 1 413.474 2.456 50 0 HEAAMN CCn1cnnc1-c1nn(C)c2c1CN(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)CC2 ZINC000581790364 1078773507 /nfs/dbraw/zinc/77/35/07/1078773507.db2.gz CMIZKFPBDCKPIE-UHFFFAOYSA-N 0 1 420.452 2.426 50 0 HEAAMN COCCn1c(C)cnc1CC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000581816586 1078786575 /nfs/dbraw/zinc/78/65/75/1078786575.db2.gz GPMMFXJIPPCUJT-UHFFFAOYSA-N 0 1 412.490 2.227 50 0 HEAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000012069434 132353343 /nfs/dbraw/zinc/35/33/43/132353343.db2.gz FGEHORRKPGMFBS-UHFFFAOYSA-N 0 1 402.445 2.232 50 0 HEAAMN CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 ZINC000032863583 518349338 /nfs/dbraw/zinc/34/93/38/518349338.db2.gz ZKMCWKAZQCKEKD-LJQANCHMSA-N 0 1 420.529 2.217 50 0 HEAAMN CCn1c2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2[nH]c(=O)c1=O ZINC000032761471 523262341 /nfs/dbraw/zinc/26/23/41/523262341.db2.gz GYKSKLTZCWNQGI-QGZVFWFLSA-N 0 1 412.515 2.338 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccsc2)CC1 ZINC000022766264 523917491 /nfs/dbraw/zinc/91/74/91/523917491.db2.gz OQLPHNATVKGAHS-KRWDZBQOSA-N 0 1 408.474 2.070 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCC(C)C)c(C)c1 ZINC000045944256 524313617 /nfs/dbraw/zinc/31/36/17/524313617.db2.gz YQFDDNCLMCSPNJ-UHFFFAOYSA-N 0 1 409.596 2.471 50 0 HEAAMN COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 ZINC000020598733 524827842 /nfs/dbraw/zinc/82/78/42/524827842.db2.gz IWAWMJJRHCRKOX-UHFFFAOYSA-N 0 1 421.501 2.284 50 0 HEAAMN O=C(CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCC1 ZINC000025127784 526773059 /nfs/dbraw/zinc/77/30/59/526773059.db2.gz WOXLLCKIALUWKF-FQEVSTJZSA-N 0 1 420.557 2.395 50 0 HEAAMN COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 ZINC000002712576 557742295 /nfs/dbraw/zinc/74/22/95/557742295.db2.gz RIHNNKMFHFBGFV-UHFFFAOYSA-N 0 1 400.416 2.181 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1F ZINC000022767171 557814882 /nfs/dbraw/zinc/81/48/82/557814882.db2.gz ONXKTIRUMYLLQL-KRWDZBQOSA-N 0 1 413.540 2.163 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(F)cc2)CC1 ZINC000022778661 557821453 /nfs/dbraw/zinc/82/14/53/557821453.db2.gz YXCJAFSRPFLWBA-LJQANCHMSA-N 0 1 402.445 2.008 50 0 HEAAMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C)c2)N2CCN(C)CC2)cc1 ZINC000022795049 557822319 /nfs/dbraw/zinc/82/23/19/557822319.db2.gz UOZZMIUCBWJGOE-NRFANRHFSA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C)N2CCN(C)CC2)cc1 ZINC000022795448 557822560 /nfs/dbraw/zinc/82/25/60/557822560.db2.gz RJBFDGCELYGYSW-NRFANRHFSA-N 0 1 410.518 2.047 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022796055 557822897 /nfs/dbraw/zinc/82/28/97/557822897.db2.gz DLKMJDFIELHLJT-IBGZPJMESA-N 0 1 402.445 2.008 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2)CC1 ZINC000022796305 557823112 /nfs/dbraw/zinc/82/31/12/557823112.db2.gz QQQUIXOGRDWSLN-IBGZPJMESA-N 0 1 420.435 2.147 50 0 HEAAMN O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000019742688 558263101 /nfs/dbraw/zinc/26/31/01/558263101.db2.gz ZTDMFRPGPQMISF-INIZCTEOSA-N 0 1 402.470 2.312 50 0 HEAAMN COc1cccc2ccc(CN3CCc4nnc([C@@H](C)NC(=O)C5CC5)n4CC3)nc21 ZINC000011790301 558277169 /nfs/dbraw/zinc/27/71/69/558277169.db2.gz YOONMBUFSJQQBO-OAHLLOKOSA-N 0 1 420.517 2.480 50 0 HEAAMN O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000011933228 558297934 /nfs/dbraw/zinc/29/79/34/558297934.db2.gz HXBBDBCKJKNRBG-QGZVFWFLSA-N 0 1 421.505 2.276 50 0 HEAAMN COCc1c(C(=O)N2CCCN(C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012098636 558325246 /nfs/dbraw/zinc/32/52/46/558325246.db2.gz YVPYFEZHVDWHGB-UHFFFAOYSA-N 0 1 424.480 2.393 50 0 HEAAMN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNC[C@H]1CCCO1 ZINC000012135198 558333532 /nfs/dbraw/zinc/33/35/32/558333532.db2.gz VQKAFPJGNFNQRZ-OAHLLOKOSA-N 0 1 410.474 2.170 50 0 HEAAMN O=C(CCc1cccnc1)NCc1nnc2n1CCN(Cc1ccc(F)cc1)CC2 ZINC000012211080 558354093 /nfs/dbraw/zinc/35/40/93/558354093.db2.gz CVWLVNAFGIUPKT-UHFFFAOYSA-N 0 1 408.481 2.120 50 0 HEAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C[C@H]1CCC(=O)N1 ZINC000012227834 558357306 /nfs/dbraw/zinc/35/73/06/558357306.db2.gz ZYHLVVXPIDJVJI-LJQANCHMSA-N 0 1 405.514 2.181 50 0 HEAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F ZINC000020722101 558403142 /nfs/dbraw/zinc/40/31/42/558403142.db2.gz NKEFXLJIYYMNJE-OAHLLOKOSA-N 0 1 411.231 2.141 50 0 HEAAMN COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCN(C)C[C@@H]3C(C)C)cc2)CC1 ZINC000012430957 558405664 /nfs/dbraw/zinc/40/56/64/558405664.db2.gz KYNMYXUVVNTTJN-OAQYLSRUSA-N 0 1 417.550 2.115 50 0 HEAAMN Cc1cn2c(nc3c2c(=O)n(CCN2CCCCC2)c(=O)n3C)n1-c1ccccc1F ZINC000004370441 558479401 /nfs/dbraw/zinc/47/94/01/558479401.db2.gz VHVXZPQBWYRDMU-UHFFFAOYSA-N 0 1 424.480 2.072 50 0 HEAAMN CN(CC(=O)N1CCCC1)CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012984119 558494606 /nfs/dbraw/zinc/49/46/06/558494606.db2.gz XLEZHTQTLPQQHP-UHFFFAOYSA-N 0 1 408.546 2.038 50 0 HEAAMN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)c1 ZINC000023025033 558530735 /nfs/dbraw/zinc/53/07/35/558530735.db2.gz RNOMYYHJZUQIDS-KRWDZBQOSA-N 0 1 408.502 2.439 50 0 HEAAMN COCCn1c(CN2CC[C@@H](N(C)C)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000023373196 558553050 /nfs/dbraw/zinc/55/30/50/558553050.db2.gz PPSDLOMIQKUGRQ-QGZVFWFLSA-N 0 1 412.600 2.162 50 0 HEAAMN COC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455872 558661089 /nfs/dbraw/zinc/66/10/89/558661089.db2.gz NGVUFVCNJMXYAK-LJQANCHMSA-N 0 1 403.479 2.217 50 0 HEAAMN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3cc(F)ccc3F)C[C@@H]12 ZINC000014749404 558670393 /nfs/dbraw/zinc/67/03/93/558670393.db2.gz AZSPCOHZXQCPIX-NDXORKPFSA-N 0 1 424.451 2.246 50 0 HEAAMN COc1cccc(CNCc2ccccc2C)c1OC[C@H](O)CN1CCOCC1 ZINC000015075035 558715472 /nfs/dbraw/zinc/71/54/72/558715472.db2.gz INWBGCHXCZDUOE-OAQYLSRUSA-N 0 1 400.519 2.365 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022187 558767957 /nfs/dbraw/zinc/76/79/57/558767957.db2.gz NVVBORDBMCXQLB-KXBZBNQCSA-N 0 1 405.495 2.098 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21c2ccccc2NC1=O ZINC000016024879 558768811 /nfs/dbraw/zinc/76/88/11/558768811.db2.gz JZVXWJKGRYEPKY-FDGPYGQJSA-N 0 1 403.482 2.450 50 0 HEAAMN CC[C@H](CO)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000072313574 558840578 /nfs/dbraw/zinc/84/05/78/558840578.db2.gz XZTNRYLWPQJVBR-QGZVFWFLSA-N 0 1 404.511 2.133 50 0 HEAAMN CN1CCN(C2(CNC(=O)c3cn(CCc4ccccc4)nn3)CCCCC2)CC1 ZINC000019226270 558852742 /nfs/dbraw/zinc/85/27/42/558852742.db2.gz HAVJASPPAHYPAP-UHFFFAOYSA-N 0 1 410.566 2.201 50 0 HEAAMN CCOC(=O)C1C(CN2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000055561930 558882517 /nfs/dbraw/zinc/88/25/17/558882517.db2.gz PKVSZAZAERKMLF-IBGZPJMESA-N 0 1 403.479 2.361 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000058146153 558902006 /nfs/dbraw/zinc/90/20/06/558902006.db2.gz HHKAFHXJRAICGL-QGZVFWFLSA-N 0 1 419.522 2.318 50 0 HEAAMN CN(c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1)S(C)(=O)=O ZINC000065364194 558975394 /nfs/dbraw/zinc/97/53/94/558975394.db2.gz OPQYOOOWWVATFY-UHFFFAOYSA-N 0 1 402.520 2.087 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)n1 ZINC000072446645 558982427 /nfs/dbraw/zinc/98/24/27/558982427.db2.gz OJSQZCSMCDQCOM-UHFFFAOYSA-N 0 1 419.533 2.474 50 0 HEAAMN CCN1CCN(C(=O)[C@H]2C[C@@](CC(C)C)(C(=O)[O-])[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000067714376 558991899 /nfs/dbraw/zinc/99/18/99/558991899.db2.gz TYYQMGJOXNWRPN-IPJJNNNSSA-N 0 1 402.539 2.108 50 0 HEAAMN O=C([C@@H]1CNCCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067851576 558993979 /nfs/dbraw/zinc/99/39/79/558993979.db2.gz MUTZXQSQRXOHDM-KRWDZBQOSA-N 0 1 411.483 2.378 50 0 HEAAMN O=C([O-])CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)CC[C@@H]1N1CCOCC1 ZINC000091745597 559073350 /nfs/dbraw/zinc/07/33/50/559073350.db2.gz GBLSOOZLMXSWQI-MSOLQXFVSA-N 0 1 400.479 2.124 50 0 HEAAMN O=C([O-])CC[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091745597 559073351 /nfs/dbraw/zinc/07/33/51/559073351.db2.gz GBLSOOZLMXSWQI-MSOLQXFVSA-N 0 1 400.479 2.124 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1csc(C(C)=O)c1)CC2 ZINC000095512850 559084492 /nfs/dbraw/zinc/08/44/92/559084492.db2.gz CTKGULPZPAYZGY-UHFFFAOYSA-N 0 1 402.520 2.196 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2ccco2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000005080242 559242140 /nfs/dbraw/zinc/24/21/40/559242140.db2.gz UEJXRNIHPJDVMV-QGZVFWFLSA-N 0 1 400.387 2.316 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000011858327 559263154 /nfs/dbraw/zinc/26/31/54/559263154.db2.gz MIABGFLTXCIPQB-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000005573205 560624085 /nfs/dbraw/zinc/62/40/85/560624085.db2.gz WWXIXCCJJQOMBG-GFCCVEGCSA-N 0 1 419.459 2.201 50 0 HEAAMN O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCO2 ZINC000206847886 560749362 /nfs/dbraw/zinc/74/93/62/560749362.db2.gz FSEDVNPCEWBHTM-MRXNPFEDSA-N 0 1 413.455 2.459 50 0 HEAAMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000047553427 560892066 /nfs/dbraw/zinc/89/20/66/560892066.db2.gz IJNPUMFWYDZONJ-UHFFFAOYSA-N 0 1 418.501 2.457 50 0 HEAAMN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000048299536 568437126 /nfs/dbraw/zinc/43/71/26/568437126.db2.gz YGPJTPCNXQGYBV-KRWDZBQOSA-N 0 1 406.486 2.382 50 0 HEAAMN COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccncc4)CC3)n[nH]2)cc1OC ZINC000095477985 568631569 /nfs/dbraw/zinc/63/15/69/568631569.db2.gz RRBJJJDHJGMKKD-UHFFFAOYSA-N 0 1 421.501 2.489 50 0 HEAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32c3ccccc3NC2=O)cc1 ZINC000020611356 568637111 /nfs/dbraw/zinc/63/71/11/568637111.db2.gz HYEGWQYYXAEAMH-AZXNSQLWSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN COc1ccc(S(=O)(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)cc1Cl ZINC000020853950 568645273 /nfs/dbraw/zinc/64/52/73/568645273.db2.gz KCFDOCNNTUSKNL-UHFFFAOYSA-N 0 1 411.867 2.348 50 0 HEAAMN O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000095943950 568662923 /nfs/dbraw/zinc/66/29/23/568662923.db2.gz VZRPHMCUPGRDDS-UHFFFAOYSA-N 0 1 400.442 2.054 50 0 HEAAMN Cc1ccc(C)c(OCC(=O)N2CCC[C@@H](c3[nH]ncc3NS(C)(=O)=O)C2)c1 ZINC000095998656 568679914 /nfs/dbraw/zinc/67/99/14/568679914.db2.gz QJFRRRCNESIYFR-OAHLLOKOSA-N 0 1 406.508 2.183 50 0 HEAAMN O=C(Nc1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000096098693 568689809 /nfs/dbraw/zinc/68/98/09/568689809.db2.gz YXSRKICDBVBINA-UHFFFAOYSA-N 0 1 402.886 2.321 50 0 HEAAMN Cc1c(C)n(-c2ccccc2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n12 ZINC000005796710 568734192 /nfs/dbraw/zinc/73/41/92/568734192.db2.gz SBDXDVHGLRBJLA-UHFFFAOYSA-N 0 1 420.517 2.241 50 0 HEAAMN CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324839 568734595 /nfs/dbraw/zinc/73/45/95/568734595.db2.gz UHGOCKUKKJDKBW-UHFFFAOYSA-N 0 1 404.474 2.136 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022582906 568770992 /nfs/dbraw/zinc/77/09/92/568770992.db2.gz LOYNHUJRJWPOHC-KNQAVFIVSA-N 0 1 408.546 2.277 50 0 HEAAMN CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl ZINC000028852645 568812282 /nfs/dbraw/zinc/81/22/82/568812282.db2.gz SECUXXCLNGPCPZ-UHFFFAOYSA-N 0 1 409.939 2.168 50 0 HEAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 ZINC000230156757 568852984 /nfs/dbraw/zinc/85/29/84/568852984.db2.gz OENKZWQKYICDPR-PGRDOPGGSA-N 0 1 423.494 2.443 50 0 HEAAMN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004045018 568880221 /nfs/dbraw/zinc/88/02/21/568880221.db2.gz TYXOONJQIUQGFQ-QPQXOQRGSA-N 0 1 411.546 2.489 50 0 biogenic HEAAMN COc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015570598 568950730 /nfs/dbraw/zinc/95/07/30/568950730.db2.gz HEDNSXOXZHJJBD-SNVBAGLBSA-N 0 1 409.464 2.245 50 0 HEAAMN CCCCCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000015864216 569016392 /nfs/dbraw/zinc/01/63/92/569016392.db2.gz GUYJXGMUXWYANJ-UHFFFAOYSA-N 0 1 409.596 2.498 50 0 HEAAMN C[C@H](CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000015864254 569016394 /nfs/dbraw/zinc/01/63/94/569016394.db2.gz HYGTZSIXNLWEEI-QGZVFWFLSA-N 0 1 419.522 2.052 50 0 HEAAMN CSCC[C@H]1N[C@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958921 569024731 /nfs/dbraw/zinc/02/47/31/569024731.db2.gz FRCWUYJLWKGFRZ-DBHNTLKXSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN CC[C@@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1CCC[NH+]1CCOCC1 ZINC000575443630 569028471 /nfs/dbraw/zinc/02/84/71/569028471.db2.gz FEKXQIAFCVPZOE-JOCHJYFZSA-N 0 1 411.554 2.334 50 0 HEAAMN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cnc(C)[nH]4)C3)C2=O)c1OC ZINC000426647104 569073656 /nfs/dbraw/zinc/07/36/56/569073656.db2.gz MHLPJDUWUIHVSL-QFIPXVFZSA-N 0 1 412.490 2.390 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991458 569074624 /nfs/dbraw/zinc/07/46/24/569074624.db2.gz FDFVGJAHPIIBSH-FQEVSTJZSA-N 0 1 400.523 2.146 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)c(OC)c1 ZINC000064922039 569122174 /nfs/dbraw/zinc/12/21/74/569122174.db2.gz JXPZHAFCROIBHY-UHFFFAOYSA-N 0 1 407.492 2.388 50 0 HEAAMN CCC(=O)Nc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000064969596 569138257 /nfs/dbraw/zinc/13/82/57/569138257.db2.gz OGKNLKLVTPWOCS-UHFFFAOYSA-N 0 1 417.466 2.480 50 0 HEAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000006829265 569142715 /nfs/dbraw/zinc/14/27/15/569142715.db2.gz JNMUUCJHKVYFGQ-INIZCTEOSA-N 0 1 400.288 2.226 50 0 HEAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000006863586 569158777 /nfs/dbraw/zinc/15/87/77/569158777.db2.gz FDFAWWHFMLJJKL-UHFFFAOYSA-N 0 1 417.516 2.412 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)NCc4ccccc4)CC3)cn2)CC1 ZINC000065166753 569188757 /nfs/dbraw/zinc/18/87/57/569188757.db2.gz YXMFHYHOTCNFJT-UHFFFAOYSA-N 0 1 408.550 2.151 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccccc3F)CC2)c[nH]1 ZINC000007007029 569199926 /nfs/dbraw/zinc/19/99/26/569199926.db2.gz OCEWMXZONCBMND-UHFFFAOYSA-N 0 1 409.483 2.131 50 0 HEAAMN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1nnc[nH]1 ZINC000007111874 569221559 /nfs/dbraw/zinc/22/15/59/569221559.db2.gz UFFGNCXKBJHAMR-UHFFFAOYSA-N 0 1 408.443 2.243 50 0 HEAAMN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H]1c1ccsc1 ZINC000252452567 569286391 /nfs/dbraw/zinc/28/63/91/569286391.db2.gz PKKLOVRVTFARJH-KDOFPFPSSA-N 0 1 407.561 2.280 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)N2CCCC2)o1 ZINC000252538110 569293203 /nfs/dbraw/zinc/29/32/03/569293203.db2.gz MSBMEALNMAWFCD-YUXAGFNASA-N 0 1 411.502 2.440 50 0 HEAAMN COc1cc(CCC(=O)N2CCOC[C@@H]2c2nnc[nH]2)ccc1OCC(F)(F)F ZINC000253416773 569367322 /nfs/dbraw/zinc/36/73/22/569367322.db2.gz XKWMOJWAOMAKFV-CYBMUJFWSA-N 0 1 414.384 2.287 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000061935564 569386396 /nfs/dbraw/zinc/38/63/96/569386396.db2.gz UQCYHMBLCNISLO-CMCWBKRRSA-N 0 1 417.465 2.435 50 0 HEAAMN O=C(c1ccco1)N1CCN(C(=O)c2[nH]nnc2Nc2cccc(Cl)c2)CC1 ZINC000067284719 571063606 /nfs/dbraw/zinc/06/36/06/571063606.db2.gz WQZHOFUMUQAYDB-UHFFFAOYSA-N 0 1 400.826 2.393 50 0 HEAAMN COC(=O)c1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2CCO)cc1 ZINC000008845678 571125561 /nfs/dbraw/zinc/12/55/61/571125561.db2.gz XZURMQURUYJYJW-FQEVSTJZSA-N 0 1 407.426 2.415 50 0 HEAAMN CC1CCN([C@@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000040039896 571142310 /nfs/dbraw/zinc/14/23/10/571142310.db2.gz KDAZBDVCQPRDMJ-BBWFWOEESA-N 0 1 401.598 2.465 50 0 HEAAMN COCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2C1=O ZINC000040159737 571205689 /nfs/dbraw/zinc/20/56/89/571205689.db2.gz FRLDZBGZECYOEV-QGZVFWFLSA-N 0 1 415.515 2.413 50 0 HEAAMN CCOC(=O)C1C(COC(=O)[C@H](O)c2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000010031453 571294159 /nfs/dbraw/zinc/29/41/59/571294159.db2.gz XQFODTLCLHKGCA-RBUKOAKNSA-N 0 1 410.426 2.135 50 0 HEAAMN CCOC(=O)C1C(COC(=O)Cc2c(C)noc2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000010031474 571294290 /nfs/dbraw/zinc/29/42/90/571294290.db2.gz WCISMZIQOGAIIF-LJQANCHMSA-N 0 1 413.430 2.248 50 0 HEAAMN O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000077104302 571311656 /nfs/dbraw/zinc/31/16/56/571311656.db2.gz XJZATFVOTZDXOJ-UHFFFAOYSA-N 0 1 415.515 2.454 50 0 HEAAMN CNC(=O)Cc1noc(CN2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577241 571314437 /nfs/dbraw/zinc/31/44/37/571314437.db2.gz YYALRVCOTYKLNR-MRXNPFEDSA-N 0 1 402.495 2.363 50 0 HEAAMN CC(=O)N1CCN(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000022771693 571315453 /nfs/dbraw/zinc/31/54/53/571315453.db2.gz ZQGFQXDNTKRSNS-UHFFFAOYSA-N 0 1 420.557 2.084 50 0 HEAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccn4)CC3)n2)cc1 ZINC000007020842 132322185 /nfs/dbraw/zinc/32/21/85/132322185.db2.gz RTRGKNRQWMXINI-UHFFFAOYSA-N 0 1 410.503 2.316 50 0 HEAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694624 132332229 /nfs/dbraw/zinc/33/22/29/132332229.db2.gz OENKZWQKYICDPR-GCJKJVERSA-N 0 1 423.494 2.443 50 0 HEAAMN Cc1ccc(-c2nnn(CC(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)n2)cc1 ZINC000012545904 132362857 /nfs/dbraw/zinc/36/28/57/132362857.db2.gz FEUGVLSSOCGOSR-UHFFFAOYSA-N 0 1 405.506 2.347 50 0 HEAAMN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012792347 132449175 /nfs/dbraw/zinc/44/91/75/132449175.db2.gz MTOCTDRLAPOAPL-CQSZACIVSA-N 0 1 401.898 2.244 50 0 HEAAMN CCOC(=O)C1=C(Cn2cnc3cc(F)ccc3c2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000032829538 520527691 /nfs/dbraw/zinc/52/76/91/520527691.db2.gz VECWJZHTUHNTMD-IBGZPJMESA-N 0 1 422.416 2.407 50 0 HEAAMN COc1cc(COCC2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1 ZINC000077191446 522500442 /nfs/dbraw/zinc/50/04/42/522500442.db2.gz UNADZHKCYNHRII-LJQANCHMSA-N 0 1 406.523 2.228 50 0 HEAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Br)ccc1F ZINC000040287210 523196385 /nfs/dbraw/zinc/19/63/85/523196385.db2.gz YLUULEPDPDFBBH-OAHLLOKOSA-N 0 1 411.231 2.141 50 0 HEAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000045974808 523922236 /nfs/dbraw/zinc/92/22/36/523922236.db2.gz APDMRTJXHSMYNJ-UHFFFAOYSA-N 0 1 415.559 2.180 50 0 HEAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101248 526597111 /nfs/dbraw/zinc/59/71/11/526597111.db2.gz UDPZPKGLDRIHGN-UHFFFAOYSA-N 0 1 406.471 2.384 50 0 HEAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000004997970 557622960 /nfs/dbraw/zinc/62/29/60/557622960.db2.gz WWJAPOSQEQQMQW-UHFFFAOYSA-N 0 1 413.474 2.495 50 0 HEAAMN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022795125 557822258 /nfs/dbraw/zinc/82/22/58/557822258.db2.gz AARUJRSMYJBZAV-LJQANCHMSA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CCN(C)CC2)cc1 ZINC000022795485 557822799 /nfs/dbraw/zinc/82/27/99/557822799.db2.gz KSFBDUOSDRVIMP-JOCHJYFZSA-N 0 1 424.545 2.355 50 0 HEAAMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022796336 557823325 /nfs/dbraw/zinc/82/33/25/557823325.db2.gz BNEOOSRZZIGVNL-NRFANRHFSA-N 0 1 412.509 2.432 50 0 HEAAMN O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000019742690 558263036 /nfs/dbraw/zinc/26/30/36/558263036.db2.gz ZTDMFRPGPQMISF-MRXNPFEDSA-N 0 1 402.470 2.312 50 0 HEAAMN COC(=O)c1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840044 558293599 /nfs/dbraw/zinc/29/35/99/558293599.db2.gz LSKDLPFFGQNYGZ-LJQANCHMSA-N 0 1 413.522 2.346 50 0 HEAAMN Cc1cccc2nc(CN(C)C(=O)C[C@@H]3C(=O)NCCN3CCc3ccccc3)[nH]c21 ZINC000011936412 558300542 /nfs/dbraw/zinc/30/05/42/558300542.db2.gz ATOWHAVNMCJQSH-HXUWFJFHSA-N 0 1 419.529 2.263 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283518 558353614 /nfs/dbraw/zinc/35/36/14/558353614.db2.gz PTJPAGULZLVAHF-OAQYLSRUSA-N 0 1 421.501 2.075 50 0 HEAAMN Cc1cc(C)n(-c2nc3sc4c(c3c(N3CCN(CCO)CC3)n2)CCCC4)n1 ZINC000020479221 558374702 /nfs/dbraw/zinc/37/47/02/558374702.db2.gz QVXJXWUUDWLYCN-UHFFFAOYSA-N 0 1 412.563 2.487 50 0 HEAAMN COc1ccc(CNC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)cc1OC ZINC000012415204 558402170 /nfs/dbraw/zinc/40/21/70/558402170.db2.gz SSCDIVLGBRUACB-UHFFFAOYSA-N 0 1 403.460 2.122 50 0 HEAAMN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCCN(C)CC4)c3C)n2)c1 ZINC000012456019 558417375 /nfs/dbraw/zinc/41/73/75/558417375.db2.gz SUFFMUCYJZXFBQ-UHFFFAOYSA-N 0 1 406.490 2.424 50 0 HEAAMN O=C(NC[C@H]1COCCO1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012460097 558419192 /nfs/dbraw/zinc/41/91/92/558419192.db2.gz HBOIIWFEWPQGQL-QFIPXVFZSA-N 0 1 411.502 2.270 50 0 HEAAMN COc1cc(OC)cc([C@H](NS(=O)(=O)c2c(C)noc2C)c2nccn2C)c1 ZINC000010748589 558436355 /nfs/dbraw/zinc/43/63/55/558436355.db2.gz ZTAOLLYKYCAWLH-INIZCTEOSA-N 0 1 406.464 2.110 50 0 HEAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@H]2CCCO2)cc1 ZINC000021534823 558440889 /nfs/dbraw/zinc/44/08/89/558440889.db2.gz JWGOWXHGSSSJRH-OAQYLSRUSA-N 0 1 417.550 2.309 50 0 HEAAMN COCCn1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)ccc1=O ZINC000022619474 558502992 /nfs/dbraw/zinc/50/29/92/558502992.db2.gz DZCMMHBAAXAGMV-GOSISDBHSA-N 0 1 404.898 2.110 50 0 HEAAMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccc(F)cc1 ZINC000013040076 558506598 /nfs/dbraw/zinc/50/65/98/558506598.db2.gz MBBGFARIUFMXIC-ZDUSSCGKSA-N 0 1 409.483 2.374 50 0 HEAAMN O=C(CCn1nc(-c2cccs2)oc1=O)NCC1(N2CCOCC2)CCCCC1 ZINC000024601210 558602142 /nfs/dbraw/zinc/60/21/42/558602142.db2.gz DJBIEKYIGGCOPD-UHFFFAOYSA-N 0 1 420.535 2.106 50 0 HEAAMN CCOC(=O)C1=C(CN(CC)CC)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960831 558608755 /nfs/dbraw/zinc/60/87/55/558608755.db2.gz WXWKSULAGSVHDH-LJQANCHMSA-N 0 1 405.495 2.355 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)N4CCCCCC4)CC3)cn2)CC1 ZINC000065166777 558652813 /nfs/dbraw/zinc/65/28/13/558652813.db2.gz MEZMNAHGAYRMBM-UHFFFAOYSA-N 0 1 400.571 2.238 50 0 HEAAMN CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014521726 558655373 /nfs/dbraw/zinc/65/53/73/558655373.db2.gz MQADZPHWAIPKNX-HXUWFJFHSA-N 0 1 401.555 2.493 50 0 HEAAMN O=C(c1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c[nH]1)N1CCCC1 ZINC000026535508 558662686 /nfs/dbraw/zinc/66/26/86/558662686.db2.gz ACHOUMMZUWQORM-UHFFFAOYSA-N 0 1 402.476 2.178 50 0 HEAAMN Cc1cccc(N2CCN(C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)n1 ZINC000014980851 558691344 /nfs/dbraw/zinc/69/13/44/558691344.db2.gz LOAUYXLMVPSBLQ-XMMPIXPASA-N 0 1 408.546 2.108 50 0 HEAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022254 558768170 /nfs/dbraw/zinc/76/81/70/558768170.db2.gz KZZWSFLSIRDUQY-ZOZBEKFXSA-N 0 1 405.495 2.098 50 0 HEAAMN CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)CC1 ZINC000004583382 558773173 /nfs/dbraw/zinc/77/31/73/558773173.db2.gz LJSHOYCPCQVDKS-UHFFFAOYSA-N 0 1 408.550 2.198 50 0 HEAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccs2)c1 ZINC000016189176 558776969 /nfs/dbraw/zinc/77/69/69/558776969.db2.gz UYAFXKGUFVDAGE-UHFFFAOYSA-N 0 1 418.544 2.413 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1 ZINC000035421660 558791118 /nfs/dbraw/zinc/79/11/18/558791118.db2.gz LQAHIZWJXGBQBE-UHFFFAOYSA-N 0 1 422.529 2.152 50 0 HEAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CC1 ZINC000055042004 558870406 /nfs/dbraw/zinc/87/04/06/558870406.db2.gz YYEVXUIYYZQHQM-IBGZPJMESA-N 0 1 424.545 2.427 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCCC2)n1 ZINC000065362525 558973449 /nfs/dbraw/zinc/97/34/49/558973449.db2.gz UNUKVRPNURLURH-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1coc(COc2cccc3cccnc32)n1 ZINC000067650291 558990732 /nfs/dbraw/zinc/99/07/32/558990732.db2.gz BGYXLUSZJUDHGF-WMZOPIPTSA-N 0 1 408.458 2.395 50 0 HEAAMN CC[C@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000008704227 559064513 /nfs/dbraw/zinc/06/45/13/559064513.db2.gz SVOMYBQCZQAKKE-AWEZNQCLSA-N 0 1 400.527 2.223 50 0 HEAAMN COCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000004951508 559215855 /nfs/dbraw/zinc/21/58/55/559215855.db2.gz KKHZRBGPGMMKLH-UHFFFAOYSA-N 0 1 404.492 2.482 50 0 HEAAMN Cc1ccc(NC(=O)CSc2n[nH]c(CC3CCCC3)n2)cc1S(N)(=O)=O ZINC000011886092 559265169 /nfs/dbraw/zinc/26/51/69/559265169.db2.gz GFVMUOVSJSARKI-UHFFFAOYSA-N 0 1 409.537 2.224 50 0 HEAAMN Cc1ccc(NC(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1S(N)(=O)=O ZINC000011886092 559265171 /nfs/dbraw/zinc/26/51/71/559265171.db2.gz GFVMUOVSJSARKI-UHFFFAOYSA-N 0 1 409.537 2.224 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2cccn2C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008773529 560638610 /nfs/dbraw/zinc/63/86/10/560638610.db2.gz PQRSDEZJYYOBIH-GOSISDBHSA-N 0 1 413.430 2.062 50 0 HEAAMN O=C(NC(=S)NCCCCN1CCOCC1)c1ccc(Br)cc1 ZINC000018191263 560781792 /nfs/dbraw/zinc/78/17/92/560781792.db2.gz OGZGLLJZOPEATI-UHFFFAOYSA-N 0 1 400.342 2.166 50 0 HEAAMN COc1ccc(-c2nn3c([n-]2)nc(C[NH+]2CCN(c4ccccc4)CC2)cc3=O)cc1 ZINC000101747597 560800173 /nfs/dbraw/zinc/80/01/73/560800173.db2.gz LKCUPNQGXWBWFA-UHFFFAOYSA-N 0 1 416.485 2.415 50 0 HEAAMN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000048275661 568435493 /nfs/dbraw/zinc/43/54/93/568435493.db2.gz PKKLOVRVTFARJH-KBXCAEBGSA-N 0 1 407.561 2.280 50 0 HEAAMN CCCCN(CC)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839669 568460942 /nfs/dbraw/zinc/46/09/42/568460942.db2.gz NBKOYLUSTQZHFJ-UHFFFAOYSA-N 0 1 404.536 2.226 50 0 HEAAMN CON(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000024454641 568511822 /nfs/dbraw/zinc/51/18/22/568511822.db2.gz CZYJTRFFYACQCO-HNNXBMFYSA-N 0 1 404.492 2.133 50 0 HEAAMN CN1CCN(C[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CCO2)CC1 ZINC000095393099 568604220 /nfs/dbraw/zinc/60/42/20/568604220.db2.gz YAONAPFSWDTXNY-LJQANCHMSA-N 0 1 404.518 2.144 50 0 HEAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000020611351 568637003 /nfs/dbraw/zinc/63/70/03/568637003.db2.gz HYEGWQYYXAEAMH-KTIHBUSBSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN O=c1[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCc1ccccc1 ZINC000020611545 568637204 /nfs/dbraw/zinc/63/72/04/568637204.db2.gz IGHWPCUWJLETAV-HXUWFJFHSA-N 0 1 402.454 2.201 50 0 biogenic HEAAMN CN1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614273 568637895 /nfs/dbraw/zinc/63/78/95/568637895.db2.gz RUQOIRPIKHMHJM-KRWDZBQOSA-N 0 1 403.429 2.412 50 0 HEAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000020761540 568642500 /nfs/dbraw/zinc/64/25/00/568642500.db2.gz FHIWAZQJPMPGNS-HNAYVOBHSA-N 0 1 414.462 2.383 50 0 biogenic HEAAMN Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2[nH]ncc2NS(C)(=O)=O)C1 ZINC000095998659 568680116 /nfs/dbraw/zinc/68/01/16/568680116.db2.gz FHWOEDBPOKERHS-HNNXBMFYSA-N 0 1 406.508 2.183 50 0 HEAAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000096116114 568695537 /nfs/dbraw/zinc/69/55/37/568695537.db2.gz AFPRDWSMLMUOPJ-KRWDZBQOSA-N 0 1 418.457 2.059 50 0 biogenic HEAAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000096116114 568695540 /nfs/dbraw/zinc/69/55/40/568695540.db2.gz AFPRDWSMLMUOPJ-KRWDZBQOSA-N 0 1 418.457 2.059 50 0 biogenic HEAAMN Cc1nnc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)s1 ZINC000021537236 568712475 /nfs/dbraw/zinc/71/24/75/568712475.db2.gz ROJPLUSBBKYSGH-UHFFFAOYSA-N 0 1 417.451 2.114 50 0 HEAAMN COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324836 568734647 /nfs/dbraw/zinc/73/46/47/568734647.db2.gz UZTPDZMGNVLRCB-UHFFFAOYSA-N 0 1 421.457 2.087 50 0 HEAAMN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c(C)c1 ZINC000096324872 568734663 /nfs/dbraw/zinc/73/46/63/568734663.db2.gz OSGFQLDGWDSOHC-UHFFFAOYSA-N 0 1 405.458 2.387 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCN(C)CC2)cc1 ZINC000022579202 568770366 /nfs/dbraw/zinc/77/03/66/568770366.db2.gz QCLOFFCDCGPWMJ-JOCHJYFZSA-N 0 1 424.545 2.355 50 0 HEAAMN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000022582781 568770656 /nfs/dbraw/zinc/77/06/56/568770656.db2.gz HPDSIYNVLKOPEJ-FQEVSTJZSA-N 0 1 410.518 2.047 50 0 HEAAMN OCCN1CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055728 568819086 /nfs/dbraw/zinc/81/90/86/568819086.db2.gz YROSPBQXYVDYAU-OAQYLSRUSA-N 0 1 406.473 2.042 50 0 HEAAMN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccc(CO)o2)CC1 ZINC000299764007 568873534 /nfs/dbraw/zinc/87/35/34/568873534.db2.gz IVGVPFPCWHXZRL-NRFANRHFSA-N 0 1 418.465 2.182 50 0 HEAAMN O=C(NCC1(N2CCOCC2)CCCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000012763486 568947073 /nfs/dbraw/zinc/94/70/73/568947073.db2.gz OZYXVJSPOIYPRD-UHFFFAOYSA-N 0 1 422.614 2.356 50 0 HEAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015680621 568967521 /nfs/dbraw/zinc/96/75/21/568967521.db2.gz LTABUUKUPKHAMJ-UHFFFAOYSA-N 0 1 400.913 2.149 50 0 HEAAMN Cc1ccccc1N(CC(=O)Nc1ccccc1N1CCN(C)CC1)S(C)(=O)=O ZINC000008025991 568969105 /nfs/dbraw/zinc/96/91/05/568969105.db2.gz XZHDFUMFRMXUDF-UHFFFAOYSA-N 0 1 416.547 2.152 50 0 HEAAMN CN(C)c1cccc(C(=O)N(CCCc2ccccc2)CC(=O)N2CCNCC2)c1 ZINC000035243872 569014519 /nfs/dbraw/zinc/01/45/19/569014519.db2.gz ZWUTVSRIBDWWSF-UHFFFAOYSA-N 0 1 408.546 2.259 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2)cc1C ZINC000015864190 569016442 /nfs/dbraw/zinc/01/64/42/569016442.db2.gz QSMFTNMXSDIQDO-UHFFFAOYSA-N 0 1 415.559 2.235 50 0 HEAAMN CC(C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969560 569025149 /nfs/dbraw/zinc/02/51/49/569025149.db2.gz NRMUVLTVWIKAPL-KTIHBUSBSA-N 0 1 403.482 2.306 50 0 biogenic HEAAMN CC(C)[C@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969563 569025192 /nfs/dbraw/zinc/02/51/92/569025192.db2.gz NRMUVLTVWIKAPL-PWSZPPJVSA-N 0 1 403.482 2.306 50 0 biogenic HEAAMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000016020952 569026036 /nfs/dbraw/zinc/02/60/36/569026036.db2.gz WFOSQGWXPHKAPA-LJQANCHMSA-N 0 1 407.470 2.307 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000026873817 569059648 /nfs/dbraw/zinc/05/96/48/569059648.db2.gz HHGXUKYMSBKWQY-OAQYLSRUSA-N 0 1 403.548 2.352 50 0 HEAAMN C[C@@H](C(=O)N(C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)n1cccn1 ZINC000054363441 569072389 /nfs/dbraw/zinc/07/23/89/569072389.db2.gz CCSXHRNVZOIYLH-INIZCTEOSA-N 0 1 417.941 2.337 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991670 569074692 /nfs/dbraw/zinc/07/46/92/569074692.db2.gz GMSLMMAZBMXEGZ-FQEVSTJZSA-N 0 1 400.523 2.146 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991634 569074733 /nfs/dbraw/zinc/07/47/33/569074733.db2.gz VQOBOXIWQMKOBT-FQEVSTJZSA-N 0 1 418.513 2.367 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000036389856 569165558 /nfs/dbraw/zinc/16/55/58/569165558.db2.gz HHGXUKYMSBKWQY-NRFANRHFSA-N 0 1 403.548 2.352 50 0 HEAAMN CN(C)CCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731840 569212491 /nfs/dbraw/zinc/21/24/91/569212491.db2.gz MFMIUKKQKUPNCA-HNNXBMFYSA-N 0 1 424.453 2.427 50 0 HEAAMN CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000239578990 569235149 /nfs/dbraw/zinc/23/51/49/569235149.db2.gz DDAFNHFXBJEMPI-HXUWFJFHSA-N 0 1 413.562 2.363 50 0 HEAAMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCN(C(=O)C2CC2)CC1 ZINC000170594470 569241153 /nfs/dbraw/zinc/24/11/53/569241153.db2.gz JRJDHOKZBCHKPC-UHFFFAOYSA-N 0 1 404.264 2.397 50 0 HEAAMN O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000170598172 569242430 /nfs/dbraw/zinc/24/24/30/569242430.db2.gz UAOWYQOTQNCDMD-UHFFFAOYSA-N 0 1 407.474 2.113 50 0 HEAAMN Cc1nc(COc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc2)no1 ZINC000014521621 569260334 /nfs/dbraw/zinc/26/03/34/569260334.db2.gz GYLHAQZINVUZRV-UHFFFAOYSA-N 0 1 408.462 2.356 50 0 HEAAMN CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1OC(C)=O ZINC000137804425 569359431 /nfs/dbraw/zinc/35/94/31/569359431.db2.gz JSZILQVIPPROJI-CEXWTWQISA-N 0 1 404.507 2.423 50 0 world HEAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(OCCN2CCOCC2)CC1 ZINC000078972786 569422594 /nfs/dbraw/zinc/42/25/94/569422594.db2.gz FNXBHKZKWSKYRN-ZWKOTPCHSA-N 0 1 407.530 2.205 50 0 HEAAMN Cn1cc(S(=O)(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1C(N)=O ZINC000079108140 569427820 /nfs/dbraw/zinc/42/78/20/569427820.db2.gz VSGMOTKBRFEQSJ-UHFFFAOYSA-N 0 1 424.954 2.064 50 0 HEAAMN CCN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019819894 569430594 /nfs/dbraw/zinc/43/05/94/569430594.db2.gz MOKOSZLQBJIXRW-LJQANCHMSA-N 0 1 417.531 2.072 50 0 HEAAMN CCOc1cc([C@@H]2NC(=O)N=C(CN3CCCCCC3)C2C(=O)OC)ccc1O ZINC000067285651 571064027 /nfs/dbraw/zinc/06/40/27/571064027.db2.gz LWWDKJOMCORCBH-IBGZPJMESA-N 0 1 403.479 2.448 50 0 HEAAMN CCOc1cc([C@@H]2NC(=O)NC(CN3CCCCCC3)=C2C(=O)OC)ccc1O ZINC000067285651 571064032 /nfs/dbraw/zinc/06/40/32/571064032.db2.gz LWWDKJOMCORCBH-IBGZPJMESA-N 0 1 403.479 2.448 50 0 HEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(NCCc4ccccc4)n3)c(C)n2)CC1 ZINC000039383781 571131726 /nfs/dbraw/zinc/13/17/26/571131726.db2.gz TZQGLGOVULWBIG-UHFFFAOYSA-N 0 1 419.533 2.332 50 0 HEAAMN CN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000040016174 571138795 /nfs/dbraw/zinc/13/87/95/571138795.db2.gz BGJCOYNXTUJUHT-AWEZNQCLSA-N 0 1 423.560 2.265 50 0 HEAAMN CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)c(C)c2)c1O ZINC000008914187 571150237 /nfs/dbraw/zinc/15/02/37/571150237.db2.gz NDFYIIARXUWNHJ-HXUWFJFHSA-N 0 1 405.454 2.342 50 0 HEAAMN Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000009250874 571242175 /nfs/dbraw/zinc/24/21/75/571242175.db2.gz WKHDOFODNXHNTA-UHFFFAOYSA-N 0 1 404.477 2.306 50 0 HEAAMN COc1cccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000009348210 571250349 /nfs/dbraw/zinc/25/03/49/571250349.db2.gz NCDUTPBHGOQXTD-HXUWFJFHSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)n1C ZINC000009684785 571279535 /nfs/dbraw/zinc/27/95/35/571279535.db2.gz YRMMCCZGCKOXFX-UHFFFAOYSA-N 0 1 405.476 2.407 50 0 HEAAMN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n1C ZINC000009685241 571279849 /nfs/dbraw/zinc/27/98/49/571279849.db2.gz RYGHERUVKIXHHQ-UHFFFAOYSA-N 0 1 409.483 2.363 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)c1 ZINC000010324755 571300364 /nfs/dbraw/zinc/30/03/64/571300364.db2.gz ZDIBKWRVJVAHAU-UHFFFAOYSA-N 0 1 401.444 2.265 50 0 HEAAMN CNC(=O)Cc1noc(CN2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577239 571314465 /nfs/dbraw/zinc/31/44/65/571314465.db2.gz YYALRVCOTYKLNR-INIZCTEOSA-N 0 1 402.495 2.363 50 0 HEAAMN CCn1cnnc1-c1nn(C)c2c1CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC000581791279 1078774645 /nfs/dbraw/zinc/77/46/45/1078774645.db2.gz YQHPGHXCTHBONT-UHFFFAOYSA-N 0 1 402.462 2.287 50 0 HEAAMN CC(C)N1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000581813329 1078782658 /nfs/dbraw/zinc/78/26/58/1078782658.db2.gz XRZMSIKKYUNEHI-FPOVZHCZSA-N 0 1 418.563 2.361 50 0 HEAAMN COc1ccc([C@H](CNC(=O)N2CCN(c3ncccn3)CC2)N2CCCC2)cc1 ZINC000009606753 132341615 /nfs/dbraw/zinc/34/16/15/132341615.db2.gz BADIPKVBQCSQTJ-FQEVSTJZSA-N 0 1 410.522 2.154 50 0 HEAAMN Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000012510874 132361161 /nfs/dbraw/zinc/36/11/61/132361161.db2.gz MGJRJUUXGKXCPB-AWEZNQCLSA-N 0 1 403.552 2.439 50 0 HEAAMN CC[C@@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CCN1C(C)C ZINC000012752086 132366578 /nfs/dbraw/zinc/36/65/78/132366578.db2.gz MVIBFCPVSVVOMF-LJQANCHMSA-N 0 1 402.539 2.370 50 0 HEAAMN CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000032745093 520527993 /nfs/dbraw/zinc/52/79/93/520527993.db2.gz GJEGOHFEIHKKJQ-IBGZPJMESA-N 0 1 404.426 2.268 50 0 HEAAMN COCc1nc(-n2ccc3nc4ncnn4c(-c4ccc(Cl)cc4)c3c2=O)n[nH]1 ZINC000040268824 523162235 /nfs/dbraw/zinc/16/22/35/523162235.db2.gz HBUOVHAOTIZGQS-UHFFFAOYSA-N 0 1 408.809 2.013 50 0 HEAAMN COCc1nnc(-n2ccc3nc4ncnn4c(-c4ccc(Cl)cc4)c3c2=O)[nH]1 ZINC000040268824 523162244 /nfs/dbraw/zinc/16/22/44/523162244.db2.gz HBUOVHAOTIZGQS-UHFFFAOYSA-N 0 1 408.809 2.013 50 0 HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 ZINC000032124517 523900266 /nfs/dbraw/zinc/90/02/66/523900266.db2.gz MELGKIISZCKDQQ-FUHWJXTLSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000032124079 523910440 /nfs/dbraw/zinc/91/04/40/523910440.db2.gz SBNUYFPHGYZBSJ-ICSRJNTNSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN C[C@H](CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000045944579 524303379 /nfs/dbraw/zinc/30/33/79/524303379.db2.gz PUUOLZOHSQYWBC-LJQANCHMSA-N 0 1 415.559 2.303 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)n1 ZINC000009620923 535521155 /nfs/dbraw/zinc/52/11/55/535521155.db2.gz XQFXWWAPKINVLB-UHFFFAOYSA-N 0 1 405.524 2.045 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC000012567125 536424141 /nfs/dbraw/zinc/42/41/41/536424141.db2.gz KWACCRPMMJNLNF-UHFFFAOYSA-N 0 1 403.486 2.347 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CCN(C)CC2)cc1 ZINC000022795477 557822855 /nfs/dbraw/zinc/82/28/55/557822855.db2.gz KSFBDUOSDRVIMP-QFIPXVFZSA-N 0 1 424.545 2.355 50 0 HEAAMN Cc1nnc(SCCNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)[nH]1 ZINC000012076071 558319936 /nfs/dbraw/zinc/31/99/36/558319936.db2.gz JWXSJFFOXIZNCO-KRWDZBQOSA-N 0 1 401.536 2.193 50 0 HEAAMN NC(=O)C1CCN([C@@H]2CC(=O)N(CC(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000020509356 558381936 /nfs/dbraw/zinc/38/19/36/558381936.db2.gz MWMRGONOZSUUKA-OAQYLSRUSA-N 0 1 405.498 2.143 50 0 HEAAMN CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020517986 558383063 /nfs/dbraw/zinc/38/30/63/558383063.db2.gz BBJAVEZXMFGKFY-KGYLXKDPSA-N 0 1 407.445 2.402 50 0 HEAAMN O=C(c1nc2ccccn2c1CN1CCC(CN2CCCC2=O)CC1)N1CCCC1 ZINC000012443554 558412949 /nfs/dbraw/zinc/41/29/49/558412949.db2.gz LWQNKKXPEZNKND-UHFFFAOYSA-N 0 1 409.534 2.405 50 0 HEAAMN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3csc(C)n3)c2)CC1 ZINC000020782378 558413024 /nfs/dbraw/zinc/41/30/24/558413024.db2.gz VNZZIPLVURRNSP-OAQYLSRUSA-N 0 1 418.607 2.461 50 0 HEAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000012455785 558417127 /nfs/dbraw/zinc/41/71/27/558417127.db2.gz BLDKYLDQQHRXCZ-UHFFFAOYSA-N 0 1 406.914 2.493 50 0 HEAAMN COc1ccc(NC(=O)[C@H](C)NC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000022699932 558505515 /nfs/dbraw/zinc/50/55/15/558505515.db2.gz LXUWCVPPYXXGEP-NSHDSACASA-N 0 1 409.439 2.098 50 0 HEAAMN CC(C)(C)c1n[nH]c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000022748661 558507420 /nfs/dbraw/zinc/50/74/20/558507420.db2.gz ORFQHNCMTUKXSG-CYBMUJFWSA-N 0 1 400.570 2.153 50 0 HEAAMN O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000013552419 558539378 /nfs/dbraw/zinc/53/93/78/558539378.db2.gz AKDISCOYIUVFNG-CYBMUJFWSA-N 0 1 400.870 2.287 50 0 HEAAMN CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000023240066 558544930 /nfs/dbraw/zinc/54/49/30/558544930.db2.gz HPYULEWSFNSJGW-LEWJYISDSA-N 0 1 419.566 2.313 50 0 HEAAMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nc(C(C)C)n[nH]1 ZINC000023647569 558564759 /nfs/dbraw/zinc/56/47/59/558564759.db2.gz ALAGRVZRZJXDOO-UHFFFAOYSA-N 0 1 411.509 2.304 50 0 HEAAMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1n[nH]c(C(C)C)n1 ZINC000023647569 558564761 /nfs/dbraw/zinc/56/47/61/558564761.db2.gz ALAGRVZRZJXDOO-UHFFFAOYSA-N 0 1 411.509 2.304 50 0 HEAAMN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329117 558638089 /nfs/dbraw/zinc/63/80/89/558638089.db2.gz JNGPFHZANKXHDS-WBVHZDCISA-N 0 1 415.515 2.291 50 0 HEAAMN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccncc1)CC2 ZINC000014540931 558659962 /nfs/dbraw/zinc/65/99/62/558659962.db2.gz FBCABQBPIBSRPG-UHFFFAOYSA-N 0 1 423.517 2.312 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000029097158 558709970 /nfs/dbraw/zinc/70/99/70/558709970.db2.gz RNOGKUOWXCTRED-JOCHJYFZSA-N 0 1 404.518 2.500 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(COC)o2)CC3)CC1 ZINC000015068850 558711499 /nfs/dbraw/zinc/71/14/99/558711499.db2.gz OASKRNDGNKXONX-LJQANCHMSA-N 0 1 419.522 2.329 50 0 HEAAMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000072304588 558757037 /nfs/dbraw/zinc/75/70/37/558757037.db2.gz VBDDQIJFUIXDHB-UHFFFAOYSA-N 0 1 423.521 2.073 50 0 HEAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000016022216 558768156 /nfs/dbraw/zinc/76/81/56/558768156.db2.gz FSDWEORXXPPLQB-FVJVTNMWSA-N 0 1 419.481 2.154 50 0 HEAAMN Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)c2ccoc2)CC3)CC1 ZINC000034809705 558784532 /nfs/dbraw/zinc/78/45/32/558784532.db2.gz VTAHICYDSRRXBI-UHFFFAOYSA-N 0 1 419.485 2.472 50 0 HEAAMN Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)cnc12 ZINC000016470116 558792920 /nfs/dbraw/zinc/79/29/20/558792920.db2.gz CGWCIPLDRANCHO-UHFFFAOYSA-N 0 1 405.502 2.486 50 0 HEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033034194 558858354 /nfs/dbraw/zinc/85/83/54/558858354.db2.gz IMNZXSOFRLUDIB-UHFFFAOYSA-N 0 1 416.547 2.345 50 0 HEAAMN Cc1ccc(N2N=C(C(=O)NC[C@H](c3ccco3)N3CCCCC3)NCC2=O)cc1 ZINC000058167742 558907491 /nfs/dbraw/zinc/90/74/91/558907491.db2.gz POODIPDNANDYKW-GOSISDBHSA-N 0 1 409.490 2.181 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000072119173 558927949 /nfs/dbraw/zinc/92/79/49/558927949.db2.gz OVDIOZPSPYOCME-UHFFFAOYSA-N 0 1 405.524 2.174 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)n1 ZINC000064800458 558966053 /nfs/dbraw/zinc/96/60/53/558966053.db2.gz OGIGMUHMNAVBQZ-UHFFFAOYSA-N 0 1 405.524 2.126 50 0 HEAAMN CCn1cc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cn1 ZINC000077344063 559002016 /nfs/dbraw/zinc/00/20/16/559002016.db2.gz XMUDWVWODYIGNM-UHFFFAOYSA-N 0 1 411.487 2.297 50 0 HEAAMN Cc1cnc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cn1 ZINC000077377890 559002849 /nfs/dbraw/zinc/00/28/49/559002849.db2.gz YIPQNZNOPDMEAS-UHFFFAOYSA-N 0 1 409.471 2.179 50 0 HEAAMN COc1cccc(S(=O)(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 ZINC000082230214 559042551 /nfs/dbraw/zinc/04/25/51/559042551.db2.gz NIBZOLSRLSXADS-UHFFFAOYSA-N 0 1 405.524 2.174 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000095524292 559085878 /nfs/dbraw/zinc/08/58/78/559085878.db2.gz MXLDJWYMJPQAPZ-UHFFFAOYSA-N 0 1 400.454 2.020 50 0 HEAAMN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN([C@H](C)c2ccccc2)CC1 ZINC000023321651 559127045 /nfs/dbraw/zinc/12/70/45/559127045.db2.gz DXZRYBWLZKMRED-QGZVFWFLSA-N 0 1 408.506 2.422 50 0 HEAAMN Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCCN1CCCC1 ZINC000005058395 559238592 /nfs/dbraw/zinc/23/85/92/559238592.db2.gz HJKAPOAYQGAKGS-UHFFFAOYSA-N 0 1 419.547 2.475 50 0 HEAAMN CCOc1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011858285 559263075 /nfs/dbraw/zinc/26/30/75/559263075.db2.gz OZYAHHSEXQRQKU-UHFFFAOYSA-N 0 1 424.500 2.261 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1Cl ZINC000206719173 560733276 /nfs/dbraw/zinc/73/32/76/560733276.db2.gz OJUGMNCNKYRPMB-UHFFFAOYSA-N 0 1 412.899 2.393 50 0 HEAAMN CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccccc2Cl)c1O ZINC000101000669 560766534 /nfs/dbraw/zinc/76/65/34/560766534.db2.gz BELVHYSGHZBQGY-SFHVURJKSA-N 0 1 411.845 2.379 50 0 HEAAMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)NCc1ccc2c(c1)OCO2 ZINC000102796624 560827979 /nfs/dbraw/zinc/82/79/79/560827979.db2.gz WJIKDNRDMHZDCT-UHFFFAOYSA-N 0 1 403.460 2.201 50 0 HEAAMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000048300073 568437329 /nfs/dbraw/zinc/43/73/29/568437329.db2.gz VQYHYDPFCVMYCJ-UHFFFAOYSA-N 0 1 405.495 2.463 50 0 HEAAMN CCOC(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CCN(C)C ZINC000006759801 568458665 /nfs/dbraw/zinc/45/86/65/568458665.db2.gz SMFQTFKCKHWGGG-UHFFFAOYSA-N 0 1 415.515 2.320 50 0 HEAAMN COc1cnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)nc1 ZINC000095440787 568610599 /nfs/dbraw/zinc/61/05/99/568610599.db2.gz HLGHSMDBGLZLIE-GFCCVEGCSA-N 0 1 417.274 2.418 50 0 HEAAMN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cnc[nH]2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000095479312 568632539 /nfs/dbraw/zinc/63/25/39/568632539.db2.gz XGZDHMMIQOFUER-RTWAWAEBSA-N 0 1 418.453 2.408 50 0 HEAAMN Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)NCCN3CCN(C)CC3)c12 ZINC000020943299 568652954 /nfs/dbraw/zinc/65/29/54/568652954.db2.gz HYPSURXXVAFZMK-UHFFFAOYSA-N 0 1 410.497 2.154 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c(C)c1 ZINC000020953513 568653698 /nfs/dbraw/zinc/65/36/98/568653698.db2.gz HMBJDWSPLWIFCN-GOSISDBHSA-N 0 1 409.577 2.332 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c(C)c1 ZINC000020953517 568653723 /nfs/dbraw/zinc/65/37/23/568653723.db2.gz HMBJDWSPLWIFCN-SFHVURJKSA-N 0 1 409.577 2.332 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](Cc3ccccc3)N(C)C)ccc21 ZINC000095963640 568670412 /nfs/dbraw/zinc/67/04/12/568670412.db2.gz DTSNZJOOFFPBJX-LJQANCHMSA-N 0 1 401.532 2.047 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c1 ZINC000096012192 568684623 /nfs/dbraw/zinc/68/46/23/568684623.db2.gz YAALHNAHCFSVLY-PGGUUEOZSA-N 0 1 424.544 2.335 50 0 HEAAMN COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)nc2ccccn2c1=O ZINC000096113860 568693449 /nfs/dbraw/zinc/69/34/49/568693449.db2.gz RKOXKXWZKXKORZ-CYBMUJFWSA-N 0 1 422.393 2.210 50 0 biogenic HEAAMN COc1ccc(OC)c(COC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)c1 ZINC000012420280 568720416 /nfs/dbraw/zinc/72/04/16/568720416.db2.gz OSVLEGSQOQWGGI-IBGZPJMESA-N 0 1 416.518 2.412 50 0 HEAAMN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2[nH]nc3ccccc32)C(C)C)cc1 ZINC000096386756 568743398 /nfs/dbraw/zinc/74/33/98/568743398.db2.gz JXQMFHUMZAJNFQ-IBGZPJMESA-N 0 1 400.504 2.491 50 0 HEAAMN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000913157 568750233 /nfs/dbraw/zinc/75/02/33/568750233.db2.gz YRLBWBBZHKVXBY-UHFFFAOYSA-N 0 1 414.443 2.304 50 0 HEAAMN O=C(NCCN1CCCCC1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021781583 568752659 /nfs/dbraw/zinc/75/26/59/568752659.db2.gz JRGNBQVWCQJQFQ-UHFFFAOYSA-N 0 1 413.497 2.284 50 0 HEAAMN O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002966760 568830938 /nfs/dbraw/zinc/83/09/38/568830938.db2.gz PUFLXHVWRZHCOI-HNNXBMFYSA-N 0 1 422.466 2.180 50 0 HEAAMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)[nH]1 ZINC000031652216 568837285 /nfs/dbraw/zinc/83/72/85/568837285.db2.gz NQJLZLZPERLKCQ-UHFFFAOYSA-N 0 1 418.453 2.335 50 0 HEAAMN CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000012773863 568952978 /nfs/dbraw/zinc/95/29/78/568952978.db2.gz UKEQHSOLGUESKW-UHFFFAOYSA-N 0 1 408.860 2.462 50 0 HEAAMN Cc1ccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)cc1 ZINC000004316451 568962025 /nfs/dbraw/zinc/96/20/25/568962025.db2.gz UERJTQNAHOCGTQ-UHFFFAOYSA-N 0 1 424.549 2.100 50 0 HEAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000008129110 568974926 /nfs/dbraw/zinc/97/49/26/568974926.db2.gz XXVWULKLUBAEAB-AWEZNQCLSA-N 0 1 415.515 2.272 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000017012902 569005137 /nfs/dbraw/zinc/00/51/37/569005137.db2.gz UBMPWEVRONQJPA-UHFFFAOYSA-N 0 1 401.536 2.286 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000015825164 569011384 /nfs/dbraw/zinc/01/13/84/569011384.db2.gz XOTLHXCUHNXMLC-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN CC(C)c1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2)cc1 ZINC000015864184 569016396 /nfs/dbraw/zinc/01/63/96/569016396.db2.gz SJAHIYCBGGUEKV-UHFFFAOYSA-N 0 1 415.559 2.433 50 0 HEAAMN C[NH+]1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000089382753 569058807 /nfs/dbraw/zinc/05/88/07/569058807.db2.gz ALYAVETZLOBSKM-UHFFFAOYSA-N 0 1 401.467 2.322 50 0 HEAAMN COc1ccccc1CNC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000035876577 569064335 /nfs/dbraw/zinc/06/43/35/569064335.db2.gz COFHDYXNRIXPGR-OAQYLSRUSA-N 0 1 407.514 2.265 50 0 HEAAMN COc1ccc(CN(CCN2CCOCC2)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036095591 569089826 /nfs/dbraw/zinc/08/98/26/569089826.db2.gz CAINMOMNRPFSGL-IBGZPJMESA-N 0 1 410.555 2.014 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)n1 ZINC000064800692 569097382 /nfs/dbraw/zinc/09/73/82/569097382.db2.gz KXORTXLOXYDRKV-UHFFFAOYSA-N 0 1 419.551 2.353 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1OC ZINC000064969701 569138535 /nfs/dbraw/zinc/13/85/35/569138535.db2.gz BBWPQGXUDQPBTF-UHFFFAOYSA-N 0 1 420.466 2.073 50 0 HEAAMN Nc1cc(N)nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000006821884 569140872 /nfs/dbraw/zinc/14/08/72/569140872.db2.gz KRLBNTGFGXNKCS-ZDUSSCGKSA-N 0 1 401.492 2.258 50 0 HEAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000036596624 569201541 /nfs/dbraw/zinc/20/15/41/569201541.db2.gz OILDWJOAASVCNK-WILYLXEWSA-N 0 1 414.462 2.383 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC ZINC000036593278 569204312 /nfs/dbraw/zinc/20/43/12/569204312.db2.gz BCRJAWIOWBIOSP-QAPCUYQASA-N 0 1 418.519 2.370 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1)C(C)C ZINC000036594978 569204540 /nfs/dbraw/zinc/20/45/40/569204540.db2.gz QARYAASWXMKEDJ-IEBWSBKVSA-N 0 1 416.478 2.282 50 0 HEAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)cc1 ZINC000065254749 569207395 /nfs/dbraw/zinc/20/73/95/569207395.db2.gz GTXGUYGNYUGEOA-UHFFFAOYSA-N 0 1 405.476 2.330 50 0 HEAAMN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3nc4ccc(C)cc4[nH]3)C2=O)cc1 ZINC000524734510 569213672 /nfs/dbraw/zinc/21/36/72/569213672.db2.gz LNJVFQFOKHIUMC-KRWDZBQOSA-N 0 1 407.430 2.011 50 0 HEAAMN COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c(OC)c1 ZINC000017012387 569271611 /nfs/dbraw/zinc/27/16/11/569271611.db2.gz DKCYOISJYNBMNP-UHFFFAOYSA-N 0 1 411.506 2.365 50 0 HEAAMN CCOC(=O)C1C(CN2CCCC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286669 571064890 /nfs/dbraw/zinc/06/48/90/571064890.db2.gz NXIOEXSOHOZZLO-LJQANCHMSA-N 0 1 403.479 2.361 50 0 HEAAMN CC[C@@H]1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 ZINC000008584031 571083085 /nfs/dbraw/zinc/08/30/85/571083085.db2.gz WPBYALHMNOIMKE-LLVKDONJSA-N 0 1 405.480 2.081 50 0 HEAAMN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008840376 571123394 /nfs/dbraw/zinc/12/33/94/571123394.db2.gz FCAGJNFNVZLKBA-UHFFFAOYSA-N 0 1 416.471 2.473 50 0 HEAAMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccccc1OC(F)F ZINC000040122827 571178545 /nfs/dbraw/zinc/17/85/45/571178545.db2.gz AEJXGUDWXKASDT-UHFFFAOYSA-N 0 1 401.369 2.176 50 0 HEAAMN CC(C)CN1CCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)NC(C)C)no2)CC1 ZINC000581786693 1078766683 /nfs/dbraw/zinc/76/66/83/1078766683.db2.gz ZCIIFIKYCXOZJN-KRWDZBQOSA-N 0 1 420.558 2.057 50 0 HEAAMN Cn1cnc(S(=O)(=O)N2CCC(N3C[C@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317157 1076231601 /nfs/dbraw/zinc/23/16/01/1076231601.db2.gz CRLHGRHMVCNFTE-IBGZPJMESA-N 0 1 422.595 2.387 50 0 HEAAMN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ncnc5[nH]cnc54)C3)c2c1 ZINC000008791971 132333525 /nfs/dbraw/zinc/33/35/25/132333525.db2.gz QBNWVXYLXLVUKC-OAHLLOKOSA-N 0 1 419.489 2.418 50 0 biogenic HEAAMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)N(C(C)=O)CCO3)OCO2 ZINC000009405475 132339315 /nfs/dbraw/zinc/33/93/15/132339315.db2.gz VTQQAWJLNYKWOI-UHFFFAOYSA-N 0 1 418.427 2.164 50 0 HEAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000011853364 132351341 /nfs/dbraw/zinc/35/13/41/132351341.db2.gz IRLDHNCIXDLTHZ-HXUWFJFHSA-N 0 1 406.530 2.368 50 0 HEAAMN O=C(C[C@H]1C(=O)NCCN1C1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012437375 132359985 /nfs/dbraw/zinc/35/99/85/132359985.db2.gz LBMOWEZVTCXNDJ-IBGZPJMESA-N 0 1 404.942 2.122 50 0 HEAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000020565851 518706836 /nfs/dbraw/zinc/70/68/36/518706836.db2.gz FSDWEORXXPPLQB-UAKAABGRSA-N 0 1 419.481 2.154 50 0 HEAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCN(CC)CC1 ZINC000020028749 521367834 /nfs/dbraw/zinc/36/78/34/521367834.db2.gz SVCICTNIEJTBNL-CQSZACIVSA-N 0 1 402.495 2.318 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766388 523918337 /nfs/dbraw/zinc/91/83/37/523918337.db2.gz UWGDEAZMGNKUQB-KRWDZBQOSA-N 0 1 406.939 2.445 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCC2)c(C)c1 ZINC000045974547 524314366 /nfs/dbraw/zinc/31/43/66/524314366.db2.gz BDVXODVHCLHKOB-UHFFFAOYSA-N 0 1 407.580 2.367 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCC(C)C)cc1C ZINC000045944288 524314443 /nfs/dbraw/zinc/31/44/43/524314443.db2.gz SSHLCLUPPCVGJS-UHFFFAOYSA-N 0 1 409.596 2.471 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)CC2)cc1 ZINC000032964504 524446552 /nfs/dbraw/zinc/44/65/52/524446552.db2.gz URLGBJLJLSVHSC-LJQANCHMSA-N 0 1 419.529 2.368 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1C ZINC000022766398 525006055 /nfs/dbraw/zinc/00/60/55/525006055.db2.gz MBAQENQYUWQUBU-LJQANCHMSA-N 0 1 400.548 2.408 50 0 HEAAMN O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)Nc1ccc(F)cc1 ZINC000044901947 527415382 /nfs/dbraw/zinc/41/53/82/527415382.db2.gz NQWWPFJEMBXRGC-UHFFFAOYSA-N 0 1 421.476 2.343 50 0 HEAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)n1 ZINC000002137043 557317561 /nfs/dbraw/zinc/31/75/61/557317561.db2.gz PLORBEBBDBRJME-UHFFFAOYSA-N 0 1 407.521 2.363 50 0 HEAAMN CC(C)OC[C@H](O)CN1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1 ZINC000034668045 557361393 /nfs/dbraw/zinc/36/13/93/557361393.db2.gz VANBRZLBIGKXAI-GOSISDBHSA-N 0 1 418.563 2.232 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000006485599 557704953 /nfs/dbraw/zinc/70/49/53/557704953.db2.gz FEUDIYNIXFNBNJ-UHFFFAOYSA-N 0 1 406.489 2.340 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC)c2)N2CCN(C)CC2)cc1 ZINC000022794312 557822096 /nfs/dbraw/zinc/82/20/96/557822096.db2.gz XMJDRFWTOVLDCJ-HXUWFJFHSA-N 0 1 413.518 2.431 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)N2CCN(C)CC2)cc1 ZINC000022795469 557822574 /nfs/dbraw/zinc/82/25/74/557822574.db2.gz XCSUSPVQMGGGOU-JOCHJYFZSA-N 0 1 424.545 2.355 50 0 HEAAMN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022796460 557823279 /nfs/dbraw/zinc/82/32/79/557823279.db2.gz BXXKEHIICBWRSX-QFIPXVFZSA-N 0 1 408.546 2.025 50 0 HEAAMN CC(=O)NCCNCc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000011935232 558299116 /nfs/dbraw/zinc/29/91/16/558299116.db2.gz SXYNLNLGJHONIQ-UHFFFAOYSA-N 0 1 407.518 2.183 50 0 HEAAMN CCCCNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc21 ZINC000019892028 558303185 /nfs/dbraw/zinc/30/31/85/558303185.db2.gz CPMKTCPBQPMSFR-UHFFFAOYSA-N 0 1 410.522 2.419 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035510 558311878 /nfs/dbraw/zinc/31/18/78/558311878.db2.gz ZQFZLYWJMULULG-HNNXBMFYSA-N 0 1 401.511 2.187 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc4c(c2)OCO4)C(=O)N3)cc1 ZINC000020717552 558401755 /nfs/dbraw/zinc/40/17/55/558401755.db2.gz ORFUJZCKBYLICQ-AWEZNQCLSA-N 0 1 407.386 2.204 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(C)C ZINC000020744917 558409662 /nfs/dbraw/zinc/40/96/62/558409662.db2.gz PGZQQTBKKRSXFC-FUHWJXTLSA-N 0 1 404.442 2.412 50 0 HEAAMN Cc1cccc(Cc2nnc(CCC(=O)N3CCC[C@H](CN4CCOCC4)C3)o2)c1 ZINC000020997538 558427165 /nfs/dbraw/zinc/42/71/65/558427165.db2.gz YYILVUWRQYWSTI-HXUWFJFHSA-N 0 1 412.534 2.472 50 0 HEAAMN COc1cc(OC)cc([C@@H](NS(=O)(=O)c2c(C)noc2C)c2nccn2C)c1 ZINC000010748601 558436248 /nfs/dbraw/zinc/43/62/48/558436248.db2.gz ZTAOLLYKYCAWLH-MRXNPFEDSA-N 0 1 406.464 2.110 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000013573233 558542829 /nfs/dbraw/zinc/54/28/29/558542829.db2.gz NVVBORDBMCXQLB-SANUXOLBSA-N 0 1 405.495 2.098 50 0 HEAAMN O=C(c1cnc2n(c1=O)CCS2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023761927 558574502 /nfs/dbraw/zinc/57/45/02/558574502.db2.gz IFRQQYVEOMCOCH-UHFFFAOYSA-N 0 1 406.511 2.460 50 0 HEAAMN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000014047938 558615287 /nfs/dbraw/zinc/61/52/87/558615287.db2.gz UIDHVTZQVLLNLG-IBGZPJMESA-N 0 1 424.501 2.090 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cn2)CC1 ZINC000065166785 558652822 /nfs/dbraw/zinc/65/28/22/558652822.db2.gz CARJGNJVHMKPAV-SFHVURJKSA-N 0 1 400.571 2.093 50 0 HEAAMN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455895 558660997 /nfs/dbraw/zinc/66/09/97/558660997.db2.gz BVDXLXKEEVSGNH-LJQANCHMSA-N 0 1 403.479 2.361 50 0 HEAAMN COC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455895 558660999 /nfs/dbraw/zinc/66/09/99/558660999.db2.gz BVDXLXKEEVSGNH-LJQANCHMSA-N 0 1 403.479 2.361 50 0 HEAAMN CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014980048 558690792 /nfs/dbraw/zinc/69/07/92/558690792.db2.gz KZQDGUOARSETHU-UHFFFAOYSA-N 0 1 409.490 2.301 50 0 HEAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016022326 558768176 /nfs/dbraw/zinc/76/81/76/558768176.db2.gz WDEINBOUOXDXJQ-CMCWBKRRSA-N 0 1 401.466 2.156 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@@]21c2ccccc2NC1=O ZINC000016024881 558768870 /nfs/dbraw/zinc/76/88/70/558768870.db2.gz JZVXWJKGRYEPKY-VKDGWMQASA-N 0 1 403.482 2.450 50 0 HEAAMN CC(C)(C(N)=O)N1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000072308868 558771508 /nfs/dbraw/zinc/77/15/08/558771508.db2.gz METIUMVDMOPDEI-UHFFFAOYSA-N 0 1 408.546 2.164 50 0 HEAAMN COC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087019 558772783 /nfs/dbraw/zinc/77/27/83/558772783.db2.gz JEWBGQYMZCBVPN-DJJJIMSYSA-N 0 1 403.479 2.359 50 0 HEAAMN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000060241049 558790022 /nfs/dbraw/zinc/79/00/22/558790022.db2.gz DRFYHINRWROCOJ-AWEZNQCLSA-N 0 1 415.494 2.056 50 0 HEAAMN CCOc1ccc(N2C(=O)C[C@H](NCCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000018123104 558831661 /nfs/dbraw/zinc/83/16/61/558831661.db2.gz WDPQGIKZTUBBAH-SFHVURJKSA-N 0 1 415.877 2.390 50 0 HEAAMN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000072314226 558842180 /nfs/dbraw/zinc/84/21/80/558842180.db2.gz PVVBYURAADNYBB-LPHOPBHVSA-N 0 1 407.942 2.275 50 0 HEAAMN NS(=O)(=O)c1ccc(CNCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000058137700 558900935 /nfs/dbraw/zinc/90/09/35/558900935.db2.gz ZPUSUOIQXWVDPN-UHFFFAOYSA-N 0 1 402.303 2.047 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000058146148 558902152 /nfs/dbraw/zinc/90/21/52/558902152.db2.gz HHKAFHXJRAICGL-KRWDZBQOSA-N 0 1 419.522 2.318 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN2CC[C@H](N(C)C)C2)n1CCCc1ccccc1 ZINC000019537771 558914021 /nfs/dbraw/zinc/91/40/21/558914021.db2.gz ARNRSRBAFAFSCC-IBGZPJMESA-N 0 1 404.580 2.445 50 0 HEAAMN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072163058 558930212 /nfs/dbraw/zinc/93/02/12/558930212.db2.gz IURQZGPDEGLFJE-MRXNPFEDSA-N 0 1 423.439 2.149 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc(N2CCCC2)n1 ZINC000064814542 558965974 /nfs/dbraw/zinc/96/59/74/558965974.db2.gz MOJJLLOOGVSUHD-UHFFFAOYSA-N 0 1 419.526 2.344 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 ZINC000065365803 558976573 /nfs/dbraw/zinc/97/65/73/558976573.db2.gz XRWBODWSFGYNME-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN CN1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)C[C@@H]1c1ccccc1 ZINC000067675221 558991248 /nfs/dbraw/zinc/99/12/48/558991248.db2.gz XTCQJQBWQRCTFV-HXUWFJFHSA-N 0 1 419.529 2.295 50 0 HEAAMN O=C(NCc1nnc[nH]1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067754673 558992263 /nfs/dbraw/zinc/99/22/63/558992263.db2.gz FALYCVYKLRIGPZ-MRXNPFEDSA-N 0 1 403.490 2.283 50 0 HEAAMN CCCCCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)cc2C1 ZINC000077339469 559001776 /nfs/dbraw/zinc/00/17/76/559001776.db2.gz JQHHWVDBFJQJRV-LJQANCHMSA-N 0 1 407.580 2.476 50 0 HEAAMN Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000091625719 559072507 /nfs/dbraw/zinc/07/25/07/559072507.db2.gz UWUZEMXMJHPLSR-SFHVURJKSA-N 0 1 402.539 2.369 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1F)CC2 ZINC000095503382 559082720 /nfs/dbraw/zinc/08/27/20/559082720.db2.gz UZPCVOLBYBFFPW-UHFFFAOYSA-N 0 1 400.454 2.020 50 0 HEAAMN COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(C)c(C)c3)c(C(N)=O)n2)c1O ZINC000005143571 559252150 /nfs/dbraw/zinc/25/21/50/559252150.db2.gz HLCHCLOQWTUZAR-UHFFFAOYSA-N 0 1 405.414 2.206 50 0 HEAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000011858195 559262779 /nfs/dbraw/zinc/26/27/79/559262779.db2.gz JOIYTYVLDIHEDE-ZDUSSCGKSA-N 0 1 424.500 2.199 50 0 HEAAMN CCc1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011858330 559263071 /nfs/dbraw/zinc/26/30/71/559263071.db2.gz UFXVURDKNAYMAU-UHFFFAOYSA-N 0 1 424.500 2.125 50 0 HEAAMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN([C@H]2CCSC2)CC1 ZINC000079025727 560541386 /nfs/dbraw/zinc/54/13/86/560541386.db2.gz OZIIFTIQZAMOMG-MJGOQNOKSA-N 0 1 418.607 2.158 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)n1 ZINC000206236110 560554779 /nfs/dbraw/zinc/55/47/79/560554779.db2.gz KRGCMDCVCIJSPC-IVMMDQJWSA-N 0 1 416.507 2.145 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C ZINC000005602479 560629266 /nfs/dbraw/zinc/62/92/66/560629266.db2.gz AFGNQSKIRYCOGM-UHFFFAOYSA-N 0 1 404.897 2.400 50 0 HEAAMN COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3O)=NN2)cc1 ZINC000101762955 560800843 /nfs/dbraw/zinc/80/08/43/560800843.db2.gz VZRWHYCLDUUEMP-QGZVFWFLSA-N 0 1 406.442 2.296 50 0 HEAAMN CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3C)c2O)=NN1 ZINC000101762937 560800910 /nfs/dbraw/zinc/80/09/10/560800910.db2.gz PWTHJFLENMOTIR-OAHLLOKOSA-N 0 1 406.442 2.377 50 0 HEAAMN CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccc(C)cc3)NC(=O)N2)C1 ZINC000051318324 560858690 /nfs/dbraw/zinc/85/86/90/560858690.db2.gz UILJAMLNYWBFCL-LPHOPBHVSA-N 0 1 415.490 2.051 50 0 HEAAMN Cc1csc(NC(=O)C2CCN([C@@H](C)C(=O)NC(=O)NC3CCCC3)CC2)n1 ZINC000047264171 560885474 /nfs/dbraw/zinc/88/54/74/560885474.db2.gz VHFGLWUYENLEHY-ZDUSSCGKSA-N 0 1 407.540 2.259 50 0 HEAAMN Cc1cccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808967 568442497 /nfs/dbraw/zinc/44/24/97/568442497.db2.gz DPBOYVQIRFMTGN-UHFFFAOYSA-N 0 1 401.448 2.410 50 0 HEAAMN CCn1c([O-])c([C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(=O)n(CC)c1=S ZINC000020411855 568605422 /nfs/dbraw/zinc/60/54/22/568605422.db2.gz JTCVQEPGJJFAEY-HNNXBMFYSA-N 0 1 419.503 2.439 50 0 biogenic HEAAMN CCOC(=O)c1[nH]c(C)c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1C ZINC000020467500 568610559 /nfs/dbraw/zinc/61/05/59/568610559.db2.gz DMRFPNQSTLDBFX-UHFFFAOYSA-N 0 1 412.534 2.356 50 0 HEAAMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000095445226 568611670 /nfs/dbraw/zinc/61/16/70/568611670.db2.gz QOBWYTAAOXKNJX-LBPRGKRZSA-N 0 1 402.538 2.408 50 0 HEAAMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000095458546 568619014 /nfs/dbraw/zinc/61/90/14/568619014.db2.gz CHKIMDLPCIVZOQ-CQSZACIVSA-N 0 1 417.333 2.446 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)Nc2ccc(F)cc21 ZINC000095478462 568631777 /nfs/dbraw/zinc/63/17/77/568631777.db2.gz ZSSKHBRDVTVDBG-IBGZPJMESA-N 0 1 404.365 2.216 50 0 HEAAMN COc1ccccc1[C@@H](CNC(=O)[C@H]1COCCN1CC(F)F)N1CCCCC1 ZINC000225392810 568633650 /nfs/dbraw/zinc/63/36/50/568633650.db2.gz NMTCCWXTCKUENO-QZTJIDSGSA-N 0 1 411.493 2.304 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC)C(C)C ZINC000020763647 568642737 /nfs/dbraw/zinc/64/27/37/568642737.db2.gz OURKBYWXMCAJLX-PKOBYXMFSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN CCCS(=O)(=O)NC1CCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000241862542 568731850 /nfs/dbraw/zinc/73/18/50/568731850.db2.gz SQYVHDIWHYMCPV-KXBFYZLASA-N 0 1 401.573 2.037 50 0 HEAAMN CCCc1cc(N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)nc2nnc(CC)n21 ZINC000096397815 568746392 /nfs/dbraw/zinc/74/63/92/568746392.db2.gz PLKILVXVCVFATG-UHFFFAOYSA-N 0 1 418.505 2.478 50 0 HEAAMN CC(C)CN1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398482 568747448 /nfs/dbraw/zinc/74/74/48/568747448.db2.gz WLERCFIAHBXALK-KRWDZBQOSA-N 0 1 419.591 2.126 50 0 HEAAMN Cc1nn(CC(=O)N2CCN(C(C)C)CC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400170 568749363 /nfs/dbraw/zinc/74/93/63/568749363.db2.gz QQCWQDDWVKJHKN-UHFFFAOYSA-N 0 1 411.531 2.381 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022579343 568770509 /nfs/dbraw/zinc/77/05/09/568770509.db2.gz JCJDOPVLSHJNSV-HXUWFJFHSA-N 0 1 407.511 2.101 50 0 HEAAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582651 568770719 /nfs/dbraw/zinc/77/07/19/568770719.db2.gz SRHZQUAOJNAUQZ-OAQYLSRUSA-N 0 1 410.518 2.047 50 0 HEAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000022582834 568771071 /nfs/dbraw/zinc/77/10/71/568771071.db2.gz DICLFCOSZDFPEZ-OAQYLSRUSA-N 0 1 424.545 2.355 50 0 HEAAMN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(c3cc[n+]([O-])cc3)CC1)C2=O ZINC000002554328 568782410 /nfs/dbraw/zinc/78/24/10/568782410.db2.gz NGGHDEXGMMOXQL-WMZHIEFXSA-N 0 1 414.550 2.034 50 0 HEAAMN COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O ZINC000002966857 568830922 /nfs/dbraw/zinc/83/09/22/568830922.db2.gz QSGQTNIEWBFHLB-INIZCTEOSA-N 0 1 408.483 2.460 50 0 HEAAMN COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)cc1 ZINC000002966756 568830983 /nfs/dbraw/zinc/83/09/83/568830983.db2.gz DPIJXKHLDTZUJR-KRWDZBQOSA-N 0 1 408.483 2.460 50 0 HEAAMN CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012525816 568842799 /nfs/dbraw/zinc/84/27/99/568842799.db2.gz ADSSYJNLKIVPFG-UHFFFAOYSA-N 0 1 424.422 2.462 50 0 HEAAMN CCOC(=O)N1CCC(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000012551031 568853131 /nfs/dbraw/zinc/85/31/31/568853131.db2.gz AWZAUVYOCKRJCW-UHFFFAOYSA-N 0 1 404.492 2.186 50 0 HEAAMN CCc1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 ZINC000299760681 568873380 /nfs/dbraw/zinc/87/33/80/568873380.db2.gz WPUZGCVBPYYGCN-NRFANRHFSA-N 0 1 416.497 2.382 50 0 HEAAMN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(C3CCCCC3)C2)nn1 ZINC000299777437 568874727 /nfs/dbraw/zinc/87/47/27/568874727.db2.gz DNRFYBJVBIFSOG-QAPCUYQASA-N 0 1 417.535 2.391 50 0 HEAAMN O=C(NCCc1ncc2ccccn21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000031773121 568930852 /nfs/dbraw/zinc/93/08/52/568930852.db2.gz VAYZASBIKYLCOL-UHFFFAOYSA-N 0 1 412.515 2.481 50 0 HEAAMN COC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000004306514 568960687 /nfs/dbraw/zinc/96/06/87/568960687.db2.gz IRVOOLNXRQKXCU-UHFFFAOYSA-N 0 1 405.457 2.315 50 0 HEAAMN COC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204837 569003425 /nfs/dbraw/zinc/00/34/25/569003425.db2.gz QKHCVRKPIPEDKR-NRFANRHFSA-N 0 1 424.476 2.429 50 0 HEAAMN COc1ccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@H]2CCO)cc1C ZINC000104331897 569008334 /nfs/dbraw/zinc/00/83/34/569008334.db2.gz QQKUTCVISAMSKU-JOCHJYFZSA-N 0 1 414.546 2.444 50 0 HEAAMN Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(F)cc2)c1 ZINC000015862683 569016008 /nfs/dbraw/zinc/01/60/08/569016008.db2.gz INTHAHBUZQCSEA-UHFFFAOYSA-N 0 1 419.522 2.147 50 0 HEAAMN C[C@H](NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000228968509 569040399 /nfs/dbraw/zinc/04/03/99/569040399.db2.gz KYGDFRZXJUQQBF-PGRDOPGGSA-N 0 1 413.562 2.313 50 0 HEAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459813 569063000 /nfs/dbraw/zinc/06/30/00/569063000.db2.gz ZMJUIRJLUOQHOS-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(N2CCCC2)n1 ZINC000064814544 569100521 /nfs/dbraw/zinc/10/05/21/569100521.db2.gz XIDXFVAITRFLAY-UHFFFAOYSA-N 0 1 423.489 2.174 50 0 HEAAMN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000169772664 569171867 /nfs/dbraw/zinc/17/18/67/569171867.db2.gz LKTOUCSHLGIWDX-HXUWFJFHSA-N 0 1 424.476 2.047 50 0 HEAAMN O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1[nH]nc2c1CCCC2 ZINC000169780162 569173976 /nfs/dbraw/zinc/17/39/76/569173976.db2.gz QNRCDDKVQLIZDY-UHFFFAOYSA-N 0 1 420.448 2.334 50 0 HEAAMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCN(c2cccnn2)CC1 ZINC000170594489 569241252 /nfs/dbraw/zinc/24/12/52/569241252.db2.gz HZDYTVGKSGNJMI-UHFFFAOYSA-N 0 1 414.263 2.455 50 0 HEAAMN COc1ccc(CCc2nnc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)[nH]2)cc1 ZINC000170625123 569249942 /nfs/dbraw/zinc/24/99/42/569249942.db2.gz JINRPQNTAZOFKC-MRXNPFEDSA-N 0 1 407.478 2.244 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)n2)cc1 ZINC000170625123 569249943 /nfs/dbraw/zinc/24/99/43/569249943.db2.gz JINRPQNTAZOFKC-MRXNPFEDSA-N 0 1 407.478 2.244 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000170625736 569250228 /nfs/dbraw/zinc/25/02/28/569250228.db2.gz QFXUXONMMCKXLR-KRWDZBQOSA-N 0 1 418.457 2.039 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000170625736 569250229 /nfs/dbraw/zinc/25/02/29/569250229.db2.gz QFXUXONMMCKXLR-KRWDZBQOSA-N 0 1 418.457 2.039 50 0 HEAAMN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520694 569260285 /nfs/dbraw/zinc/26/02/85/569260285.db2.gz QKIZVMOYWLAZDS-NRFANRHFSA-N 0 1 420.517 2.001 50 0 HEAAMN C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520327 569260312 /nfs/dbraw/zinc/26/03/12/569260312.db2.gz WUSRXOKZXQJUFM-AWEZNQCLSA-N 0 1 401.898 2.244 50 0 HEAAMN COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381081 569364885 /nfs/dbraw/zinc/36/48/85/569364885.db2.gz CPLYWWPWWQYOHJ-DWVOJBSXSA-N 0 1 415.877 2.494 50 0 HEAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc2c(cc1C)n(C)c(=O)c(=O)n2C ZINC000013364518 569412089 /nfs/dbraw/zinc/41/20/89/569412089.db2.gz IERFJFSHBRUFLG-UHFFFAOYSA-N 0 1 423.878 2.008 50 0 HEAAMN O[C@@H](CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@H]1CCCO1 ZINC000079076634 569427124 /nfs/dbraw/zinc/42/71/24/569427124.db2.gz TVAPYPRYQXODOA-JKSUJKDBSA-N 0 1 423.439 2.219 50 0 HEAAMN Cc1cc2c(cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1)OCC(=O)N2 ZINC000008599866 571089427 /nfs/dbraw/zinc/08/94/27/571089427.db2.gz XWXDNMFLDCXJTD-UHFFFAOYSA-N 0 1 403.504 2.078 50 0 HEAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008864233 571128928 /nfs/dbraw/zinc/12/89/28/571128928.db2.gz XGXVAJJFYBUXKB-MRXNPFEDSA-N 0 1 401.488 2.411 50 0 HEAAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@@H](c2ccc3c(c2)OCO3)NN1 ZINC000009046036 571215591 /nfs/dbraw/zinc/21/55/91/571215591.db2.gz XDHSIQHFKXEIJH-JZYMCLRRSA-N 0 1 406.398 2.327 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnn(-c2ccccc2)n1 ZINC000009222892 571238468 /nfs/dbraw/zinc/23/84/68/571238468.db2.gz QAWRAINPSHQXCO-UHFFFAOYSA-N 0 1 421.442 2.110 50 0 HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O ZINC000009330062 571248664 /nfs/dbraw/zinc/24/86/64/571248664.db2.gz ZQOIJGBQXQWFPO-LJQANCHMSA-N 0 1 410.474 2.472 50 0 biogenic HEAAMN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(c3cccs3)CC2)cc1 ZINC000077104304 571311726 /nfs/dbraw/zinc/31/17/26/571311726.db2.gz BMHFCJKGVTXQNY-UHFFFAOYSA-N 0 1 415.515 2.469 50 0 HEAAMN CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN1CCc3ccccc3C1)CCO2 ZINC000581786396 1078766664 /nfs/dbraw/zinc/76/66/64/1078766664.db2.gz VASKMIJLKDOWAY-FQEVSTJZSA-N 0 1 413.562 2.359 50 0 HEAAMN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560262 520512173 /nfs/dbraw/zinc/51/21/73/520512173.db2.gz PWNYMBNXZUOWBN-LJQANCHMSA-N 0 1 415.490 2.005 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)CC2)cc1 ZINC000032964503 524446422 /nfs/dbraw/zinc/44/64/22/524446422.db2.gz URLGBJLJLSVHSC-IBGZPJMESA-N 0 1 419.529 2.368 50 0 HEAAMN C[C@H]1COc2ccc(C(=O)NCCN3CCN(C)CC3)cc2N1Cc1ccccc1 ZINC000040455611 524746169 /nfs/dbraw/zinc/74/61/69/524746169.db2.gz VLVMYLBRCBOVGL-IBGZPJMESA-N 0 1 408.546 2.451 50 0 HEAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001027479 557145733 /nfs/dbraw/zinc/14/57/33/557145733.db2.gz FVTMYTDTIHUTKV-UHFFFAOYSA-N 0 1 411.432 2.308 50 0 HEAAMN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000001138823 557202729 /nfs/dbraw/zinc/20/27/29/557202729.db2.gz ZKTASZQYOZUBEB-UHFFFAOYSA-N 0 1 401.448 2.372 50 0 HEAAMN O=C(C1CCN(Cc2cccnc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001179462 557229682 /nfs/dbraw/zinc/22/96/82/557229682.db2.gz WNDBQHRDLSZSFD-UHFFFAOYSA-N 0 1 422.529 2.367 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(F)cc2)CC1 ZINC000022795825 557822866 /nfs/dbraw/zinc/82/28/66/557822866.db2.gz ZLBKTRNRCVAXTD-NRFANRHFSA-N 0 1 416.541 2.237 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(C)c1 ZINC000022796215 557823056 /nfs/dbraw/zinc/82/30/56/557823056.db2.gz YZJWKFQMLBWZFR-OAQYLSRUSA-N 0 1 412.509 2.486 50 0 HEAAMN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000011783706 558275484 /nfs/dbraw/zinc/27/54/84/558275484.db2.gz FMIBJLHHPKLYGD-HNNXBMFYSA-N 0 1 407.474 2.355 50 0 HEAAMN O=C([C@@H]1CCC(=O)N(CC2CCCCC2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000020455010 558368587 /nfs/dbraw/zinc/36/85/87/558368587.db2.gz LYMYVPSPJQURIU-OAQYLSRUSA-N 0 1 405.583 2.376 50 0 HEAAMN NC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012442360 558412615 /nfs/dbraw/zinc/41/26/15/558412615.db2.gz WSRPVOOGIOPUDR-LJQANCHMSA-N 0 1 405.514 2.311 50 0 HEAAMN COc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000014249716 558649477 /nfs/dbraw/zinc/64/94/77/558649477.db2.gz SRSMXSGNZIZJCG-KRWDZBQOSA-N 0 1 424.530 2.154 50 0 HEAAMN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 ZINC000014748452 558670032 /nfs/dbraw/zinc/67/00/32/558670032.db2.gz PWGJFMIUZLIEFM-UHFFFAOYSA-N 0 1 424.549 2.375 50 0 HEAAMN CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCCN(C=O)CC1)C2 ZINC000014755674 558672078 /nfs/dbraw/zinc/67/20/78/558672078.db2.gz XNTSZEYDPJLCKT-LJQANCHMSA-N 0 1 415.582 2.331 50 0 HEAAMN COc1ccc2c(c1)N(CC(=O)NCC1(N3CCOCC3)CCCCC1)CCO2 ZINC000072304940 558757536 /nfs/dbraw/zinc/75/75/36/558757536.db2.gz BTQSODOHBLOWTG-UHFFFAOYSA-N 0 1 403.523 2.045 50 0 HEAAMN CCCN1CCN(C(=O)Cn2c(C)ccc(NC(=O)Nc3ccccc3)c2=O)CC1 ZINC000097938413 558824994 /nfs/dbraw/zinc/82/49/94/558824994.db2.gz KXMRTHRWPRCOSH-UHFFFAOYSA-N 0 1 411.506 2.355 50 0 HEAAMN CN1CCN(CCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000033010210 558829618 /nfs/dbraw/zinc/82/96/18/558829618.db2.gz HCKDMLVLVDBYOJ-UHFFFAOYSA-N 0 1 419.551 2.439 50 0 HEAAMN NC(=O)CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055227010 558876788 /nfs/dbraw/zinc/87/67/88/558876788.db2.gz REXQKOBCMSFUKJ-QGZVFWFLSA-N 0 1 412.456 2.084 50 0 HEAAMN Cc1cccc(N(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)S(C)(=O)=O)c1 ZINC000055243781 558876982 /nfs/dbraw/zinc/87/69/82/558876982.db2.gz ASJCEMUSPASUHU-UHFFFAOYSA-N 0 1 404.536 2.412 50 0 HEAAMN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058158673 558903828 /nfs/dbraw/zinc/90/38/28/558903828.db2.gz LJTMJYSRAXZRKG-SJORKVTESA-N 0 1 417.550 2.351 50 0 HEAAMN CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n[nH]1 ZINC000058170984 558908166 /nfs/dbraw/zinc/90/81/66/558908166.db2.gz ZNTSZNIGUSJEHY-UHFFFAOYSA-N 0 1 421.504 2.043 50 0 HEAAMN CCN1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)nn2)CC1 ZINC000033261545 558931240 /nfs/dbraw/zinc/93/12/40/558931240.db2.gz PIUVDHPOAJRODQ-NRFANRHFSA-N 0 1 422.577 2.460 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1 ZINC000097940945 558945814 /nfs/dbraw/zinc/94/58/14/558945814.db2.gz ADYNAZCHAJZRJM-UHFFFAOYSA-N 0 1 404.448 2.489 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(N2CCCCC2)n1 ZINC000065362795 558973679 /nfs/dbraw/zinc/97/36/79/558973679.db2.gz IMVKOPQZYYLAOI-UHFFFAOYSA-N 0 1 407.565 2.348 50 0 HEAAMN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC(F)CC4)[nH]c3=O)nc2s1 ZINC000077437732 559005184 /nfs/dbraw/zinc/00/51/84/559005184.db2.gz WKPMCJLQDPQMJR-UHFFFAOYSA-N 0 1 403.483 2.256 50 0 HEAAMN COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000005075831 559241054 /nfs/dbraw/zinc/24/10/54/559241054.db2.gz LQQLPFZVTJWLHY-UHFFFAOYSA-N 0 1 414.480 2.483 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2c[nH]nc2C)c1 ZINC000139221416 559288568 /nfs/dbraw/zinc/28/85/68/559288568.db2.gz HNSXFNHTSJKLKR-UHFFFAOYSA-N 0 1 400.460 2.458 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000005184859 559290543 /nfs/dbraw/zinc/29/05/43/559290543.db2.gz MDRNNKJCZHTENL-ZDUSSCGKSA-N 0 1 409.533 2.232 50 0 HEAAMN COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000005429759 560586599 /nfs/dbraw/zinc/58/65/99/560586599.db2.gz FECLRBCGGOLTDS-UHFFFAOYSA-N 0 1 407.806 2.479 50 0 HEAAMN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000034262846 560595738 /nfs/dbraw/zinc/59/57/38/560595738.db2.gz CQWNDXGVDUSZRS-JKSUJKDBSA-N 0 1 420.488 2.473 50 0 biogenic HEAAMN COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCCC1 ZINC000018011537 560762385 /nfs/dbraw/zinc/76/23/85/560762385.db2.gz VLUIOLQAWJFIJF-HXUWFJFHSA-N 0 1 406.486 2.428 50 0 HEAAMN CCN1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701738 560798430 /nfs/dbraw/zinc/79/84/30/560798430.db2.gz OIGJBMPHGVHCCE-QGZVFWFLSA-N 0 1 402.926 2.159 50 0 HEAAMN CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)=NN1 ZINC000101762852 560800899 /nfs/dbraw/zinc/80/08/99/560800899.db2.gz IGLMVHDQEAYAMY-CQSZACIVSA-N 0 1 422.441 2.077 50 0 HEAAMN Cc1cc(C)cc(-n2c(O)c(C3=NN[C@@H](c4ccc5c(c4)OCO5)C3)c(=O)[nH]c2=O)c1 ZINC000101763023 560800926 /nfs/dbraw/zinc/80/09/26/560800926.db2.gz XGAILSNNALYUJT-OAHLLOKOSA-N 0 1 420.425 2.016 50 0 HEAAMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012257899 568456481 /nfs/dbraw/zinc/45/64/81/568456481.db2.gz BFMWWMIJGCJCEE-LLVKDONJSA-N 0 1 411.553 2.472 50 0 HEAAMN COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)[nH]n2)cc1 ZINC000095473159 568628740 /nfs/dbraw/zinc/62/87/40/568628740.db2.gz LBZMZXWZGQKHIR-CQSZACIVSA-N 0 1 415.475 2.202 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(C)C1=O ZINC000095479593 568632590 /nfs/dbraw/zinc/63/25/90/568632590.db2.gz MOMIYERVSNAHBN-HXUWFJFHSA-N 0 1 400.402 2.101 50 0 HEAAMN COc1ccccc1[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)N1CCCCC1 ZINC000225392769 568633772 /nfs/dbraw/zinc/63/37/72/568633772.db2.gz NMTCCWXTCKUENO-ZWKOTPCHSA-N 0 1 411.493 2.304 50 0 HEAAMN COc1ccccc1[C@@H](CNC(=O)[C@@H]1COCCN1CC(F)F)N1CCCCC1 ZINC000225392731 568633805 /nfs/dbraw/zinc/63/38/05/568633805.db2.gz NMTCCWXTCKUENO-MSOLQXFVSA-N 0 1 411.493 2.304 50 0 HEAAMN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000225504875 568644181 /nfs/dbraw/zinc/64/41/81/568644181.db2.gz AKFLZFUSKQPFRA-VGOFRKELSA-N 0 1 407.555 2.347 50 0 HEAAMN COc1ccc2c(c1)C=C(C(=O)NCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000021095448 568664721 /nfs/dbraw/zinc/66/47/21/568664721.db2.gz NXQBSULDMRMIHD-UHFFFAOYSA-N 0 1 407.514 2.405 50 0 HEAAMN COC(=O)N1CCN(c2ccncc2NS(=O)(=O)c2ccc(C)c(F)c2)CC1 ZINC000225743658 568670425 /nfs/dbraw/zinc/67/04/25/568670425.db2.gz VADJJPWUBBNAEX-UHFFFAOYSA-N 0 1 408.455 2.218 50 0 HEAAMN CCc1nn(C)c(Cl)c1CNC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000095981154 568675382 /nfs/dbraw/zinc/67/53/82/568675382.db2.gz IFJGJLNEKODEKG-IRXDYDNUSA-N 0 1 401.942 2.324 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1 ZINC000096012195 568684590 /nfs/dbraw/zinc/68/45/90/568684590.db2.gz YAALHNAHCFSVLY-ASHKIFAZSA-N 0 1 424.544 2.335 50 0 HEAAMN COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O ZINC000096115538 568695080 /nfs/dbraw/zinc/69/50/80/568695080.db2.gz CPSONUGYLGOFFQ-CYBMUJFWSA-N 0 1 414.414 2.126 50 0 biogenic HEAAMN O=c1ccn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cn2)cc1 ZINC000239672620 568729864 /nfs/dbraw/zinc/72/98/64/568729864.db2.gz BUFPFYOCJSACHE-UHFFFAOYSA-N 0 1 410.455 2.308 50 0 HEAAMN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324918 568734598 /nfs/dbraw/zinc/73/45/98/568734598.db2.gz CYWRXLUBFJNKRU-UHFFFAOYSA-N 0 1 405.458 2.007 50 0 HEAAMN COc1cccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324841 568734620 /nfs/dbraw/zinc/73/46/20/568734620.db2.gz XMEXMPKTZVXUEO-UHFFFAOYSA-N 0 1 405.458 2.007 50 0 HEAAMN CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324914 568734685 /nfs/dbraw/zinc/73/46/85/568734685.db2.gz UPAJCSNIWLSOJQ-UHFFFAOYSA-N 0 1 404.474 2.136 50 0 HEAAMN NC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(C(N)=O)c1 ZINC000002638329 568792810 /nfs/dbraw/zinc/79/28/10/568792810.db2.gz ODGPBQRHMUDNLF-UHFFFAOYSA-N 0 1 421.784 2.357 50 0 HEAAMN COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)cc1 ZINC000002966758 568830915 /nfs/dbraw/zinc/83/09/15/568830915.db2.gz DPIJXKHLDTZUJR-QGZVFWFLSA-N 0 1 408.483 2.460 50 0 HEAAMN COc1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057463938 568838355 /nfs/dbraw/zinc/83/83/55/568838355.db2.gz CPLYWWPWWQYOHJ-WHYAXOSZSA-N 0 1 415.877 2.494 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000012525863 568842804 /nfs/dbraw/zinc/84/28/04/568842804.db2.gz ZAPCAXQTRHPMMA-UHFFFAOYSA-N 0 1 412.489 2.118 50 0 HEAAMN COc1ccccc1N1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000003043751 568848129 /nfs/dbraw/zinc/84/81/29/568848129.db2.gz OGPZYOTUTBKMLS-UHFFFAOYSA-N 0 1 410.499 2.416 50 0 HEAAMN CN(C)c1nc2cc(NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)ccc2o1 ZINC000083855437 568920756 /nfs/dbraw/zinc/92/07/56/568920756.db2.gz XAHWRWLDOYQPLH-UHFFFAOYSA-N 0 1 405.414 2.104 50 0 HEAAMN COCCn1c(S[C@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc21 ZINC000004138707 568945806 /nfs/dbraw/zinc/94/58/06/568945806.db2.gz ZVMDUMPTWBMJBI-MRXNPFEDSA-N 0 1 401.492 2.211 50 0 HEAAMN O=S(=O)(c1ccc(NC[C@H](c2ccco2)N2CCCCC2)nc1)N1CCOCC1 ZINC000008063501 568971285 /nfs/dbraw/zinc/97/12/85/568971285.db2.gz ZVZUUAKFKKQPBL-GOSISDBHSA-N 0 1 420.535 2.335 50 0 HEAAMN O=C(CN1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008319963 568990383 /nfs/dbraw/zinc/99/03/83/568990383.db2.gz SZQMUXRNDSLWLD-SFHVURJKSA-N 0 1 419.572 2.418 50 0 HEAAMN COc1ccc(C[N@H+]2CCN(C3CCN(C(C)=O)CC3)C[C@H]2CCO)c(C)c1C ZINC000107100715 569009213 /nfs/dbraw/zinc/00/92/13/569009213.db2.gz DDPOOZBABWBROU-JOCHJYFZSA-N 0 1 403.567 2.192 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(F)cc2)cc1 ZINC000015862676 569016011 /nfs/dbraw/zinc/01/60/11/569016011.db2.gz QJAKINHEMUQQRE-UHFFFAOYSA-N 0 1 419.522 2.147 50 0 HEAAMN CN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cn2)CC1 ZINC000012918223 569022660 /nfs/dbraw/zinc/02/26/60/569022660.db2.gz FVHNCKRHSAUIOB-HNNXBMFYSA-N 0 1 413.909 2.478 50 0 HEAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958979 569024758 /nfs/dbraw/zinc/02/47/58/569024758.db2.gz OSAQJRIZVUCEBK-XHOYROJHSA-N 0 1 417.465 2.470 50 0 biogenic HEAAMN Cc1cccc2nc(CCNC(=O)C[C@@H]3C(=O)NCCN3Cc3cccc(F)c3)[nH]c21 ZINC000053537219 569031395 /nfs/dbraw/zinc/03/13/95/569031395.db2.gz SUVITXXGZDVZSK-LJQANCHMSA-N 0 1 423.492 2.060 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375187 569033950 /nfs/dbraw/zinc/03/39/50/569033950.db2.gz NVVBORDBMCXQLB-DFHCSUQFSA-N 0 1 405.495 2.098 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000035375523 569033988 /nfs/dbraw/zinc/03/39/88/569033988.db2.gz LRBIMRVFMWSMMB-YAQJADAMSA-N 0 1 419.481 2.154 50 0 HEAAMN Cn1cccc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1=O ZINC000035598034 569045777 /nfs/dbraw/zinc/04/57/77/569045777.db2.gz NZITZGGPEXQQCG-UHFFFAOYSA-N 0 1 403.486 2.355 50 0 HEAAMN COc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)c1OC ZINC000036103586 569092180 /nfs/dbraw/zinc/09/21/80/569092180.db2.gz IQVYIHSTGMBYET-LJQANCHMSA-N 0 1 410.555 2.014 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(C)cc3)n2)c1 ZINC000064969636 569138401 /nfs/dbraw/zinc/13/84/01/569138401.db2.gz HYCXNMJIPVNTSQ-UHFFFAOYSA-N 0 1 416.503 2.242 50 0 HEAAMN C[C@H](CC(=O)NCc1ccc2c(c1)OCO2)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000006914248 569179909 /nfs/dbraw/zinc/17/99/09/569179909.db2.gz PANMHLLJBFGLAT-ZDUSSCGKSA-N 0 1 415.471 2.470 50 0 HEAAMN CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000006920273 569181718 /nfs/dbraw/zinc/18/17/18/569181718.db2.gz KOWXXXVDFKXDIK-UHFFFAOYSA-N 0 1 405.520 2.479 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC)C(C)C ZINC000036593011 569204272 /nfs/dbraw/zinc/20/42/72/569204272.db2.gz OURKBYWXMCAJLX-IEBWSBKVSA-N 0 1 416.478 2.282 50 0 HEAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000016942387 569267991 /nfs/dbraw/zinc/26/79/91/569267991.db2.gz ZGJCACXIPKJIAO-UHFFFAOYSA-N 0 1 424.526 2.294 50 0 HEAAMN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CNc1nc(Cl)nc2[nH]cnc21)CC3 ZINC000079493537 569432651 /nfs/dbraw/zinc/43/26/51/569432651.db2.gz UHAPMCXPFQCPGH-UHFFFAOYSA-N 0 1 411.853 2.493 50 0 biogenic HEAAMN COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ncnc5[nH]cnc54)CC3)c2c1 ZINC000008791904 571120084 /nfs/dbraw/zinc/12/00/84/571120084.db2.gz ZWCVPTUPCOJJJT-UHFFFAOYSA-N 0 1 419.489 2.418 50 0 biogenic HEAAMN CC1CCN([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c2cccs2)CC1 ZINC000040039899 571142259 /nfs/dbraw/zinc/14/22/59/571142259.db2.gz KDAZBDVCQPRDMJ-BRWVUGGUSA-N 0 1 401.598 2.465 50 0 HEAAMN Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000040051311 571145263 /nfs/dbraw/zinc/14/52/63/571145263.db2.gz SPLLBFMVJSWNTD-UHFFFAOYSA-N 0 1 418.447 2.024 50 0 HEAAMN CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000040072763 571153501 /nfs/dbraw/zinc/15/35/01/571153501.db2.gz DJDLTTMNCNYWBV-UHFFFAOYSA-N 0 1 418.519 2.119 50 0 HEAAMN CCOC(=O)C1C(COC(=O)[C@@H](O)c2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000010031458 571294147 /nfs/dbraw/zinc/29/41/47/571294147.db2.gz XQFODTLCLHKGCA-MOPGFXCFSA-N 0 1 410.426 2.135 50 0 HEAAMN CCOC(=O)C1C(COC(=O)Cc2c(C)noc2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000010031478 571294302 /nfs/dbraw/zinc/29/43/02/571294302.db2.gz WCISMZIQOGAIIF-IBGZPJMESA-N 0 1 413.430 2.248 50 0 HEAAMN O=C(NC[C@@H]1Cn2cccc2C(=O)N1Cc1cccnc1)c1n[nH]c2ccccc21 ZINC000581792828 1078775676 /nfs/dbraw/zinc/77/56/76/1078775676.db2.gz RIRVPQRFQZQVMQ-MRXNPFEDSA-N 0 1 400.442 2.214 50 0 HEAAMN CCCN1C(=O)N=NC1SCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000011651322 132348745 /nfs/dbraw/zinc/34/87/45/132348745.db2.gz BXMKKZAGEWZSRT-UHFFFAOYSA-N 0 1 421.498 2.176 50 0 HEAAMN Cc1cccnc1N1CCN(C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000012206195 132356770 /nfs/dbraw/zinc/35/67/70/132356770.db2.gz FHFVRKZBOYQLHZ-XMMPIXPASA-N 0 1 408.546 2.108 50 0 HEAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)CC1 ZINC000012308413 132358295 /nfs/dbraw/zinc/35/82/95/132358295.db2.gz VAAOHPBVEIRMNC-HXUWFJFHSA-N 0 1 418.969 2.430 50 0 HEAAMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012437378 132359953 /nfs/dbraw/zinc/35/99/53/132359953.db2.gz LBMOWEZVTCXNDJ-LJQANCHMSA-N 0 1 404.942 2.122 50 0 HEAAMN CN1CCN(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)CC1 ZINC000022936397 132476700 /nfs/dbraw/zinc/47/67/00/132476700.db2.gz WYTBRKLDDQHHBN-UHFFFAOYSA-N 0 1 420.561 2.068 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccsc2)CC1 ZINC000022766267 523919642 /nfs/dbraw/zinc/91/96/42/523919642.db2.gz OQLPHNATVKGAHS-QGZVFWFLSA-N 0 1 408.474 2.070 50 0 HEAAMN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)CC2=O)cc1 ZINC000032913567 524444456 /nfs/dbraw/zinc/44/44/56/524444456.db2.gz UHVWPYQWGSEEBY-ZDUSSCGKSA-N 0 1 407.430 2.481 50 0 HEAAMN COc1ccc(OC)c(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000032740431 524836701 /nfs/dbraw/zinc/83/67/01/524836701.db2.gz SWQFTDJFUMPIBJ-UHFFFAOYSA-N 0 1 406.504 2.015 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1C ZINC000022766394 525005208 /nfs/dbraw/zinc/00/52/08/525005208.db2.gz MBAQENQYUWQUBU-IBGZPJMESA-N 0 1 400.548 2.408 50 0 HEAAMN Cc1ccccc1N(CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)S(C)(=O)=O ZINC000040162013 525217409 /nfs/dbraw/zinc/21/74/09/525217409.db2.gz DPPYMHASGSIFAW-IBGZPJMESA-N 0 1 407.511 2.319 50 0 HEAAMN Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1S(N)(=O)=O ZINC000032895518 525308118 /nfs/dbraw/zinc/30/81/18/525308118.db2.gz HWVXIQPODXPTAJ-UHFFFAOYSA-N 0 1 410.395 2.342 50 0 HEAAMN Nc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000002712461 557746057 /nfs/dbraw/zinc/74/60/57/557746057.db2.gz HELZHLYMYXJQNF-UHFFFAOYSA-N 0 1 407.521 2.207 50 0 HEAAMN COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1=O ZINC000022697668 557784235 /nfs/dbraw/zinc/78/42/35/557784235.db2.gz UYUIVWRHAWQPIZ-FQEVSTJZSA-N 0 1 405.926 2.499 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CCN(C)CC2)cc1 ZINC000022778557 557821426 /nfs/dbraw/zinc/82/14/26/557821426.db2.gz SHZCUHHOCXMYKQ-QFIPXVFZSA-N 0 1 424.545 2.355 50 0 HEAAMN C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1)c1ccccc1 ZINC000022778684 557821489 /nfs/dbraw/zinc/82/14/89/557821489.db2.gz YXXZAANTXFBFKZ-LAUBAEHRSA-N 0 1 412.509 2.108 50 0 HEAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCNC(=O)CC1 ZINC000011820624 558283926 /nfs/dbraw/zinc/28/39/26/558283926.db2.gz VDCHJYMPRZGYSI-UHFFFAOYSA-N 0 1 408.502 2.087 50 0 HEAAMN CC(C)Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000011912163 558297043 /nfs/dbraw/zinc/29/70/43/558297043.db2.gz KIOHGCCKXZFHQL-JZXOWHBKSA-N 0 1 402.539 2.486 50 0 HEAAMN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000011978330 558305790 /nfs/dbraw/zinc/30/57/90/558305790.db2.gz STJFWMUEKGFAJP-AWEZNQCLSA-N 0 1 409.446 2.149 50 0 HEAAMN C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012202273 558351713 /nfs/dbraw/zinc/35/17/13/558351713.db2.gz XZLKMVANHJVUMG-SFHVURJKSA-N 0 1 422.529 2.428 50 0 HEAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F ZINC000020722099 558403135 /nfs/dbraw/zinc/40/31/35/558403135.db2.gz NKEFXLJIYYMNJE-HNNXBMFYSA-N 0 1 411.231 2.141 50 0 HEAAMN CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)o1 ZINC000020914336 558422384 /nfs/dbraw/zinc/42/23/84/558422384.db2.gz ADPXJWVHERMAOY-GOSISDBHSA-N 0 1 403.527 2.342 50 0 HEAAMN CCOC(=O)C1C(Cn2nnc(-c3ccccc3)n2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000014129594 558623935 /nfs/dbraw/zinc/62/39/35/558623935.db2.gz XRKCHIBESCQPGZ-GOSISDBHSA-N 0 1 404.430 2.211 50 0 HEAAMN O=C(NCCC[NH+]1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000025330087 558638501 /nfs/dbraw/zinc/63/85/01/558638501.db2.gz VZGSUYWNKVKWOY-UHFFFAOYSA-N 0 1 421.494 2.079 50 0 HEAAMN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014521727 558655363 /nfs/dbraw/zinc/65/53/63/558655363.db2.gz MQADZPHWAIPKNX-FQEVSTJZSA-N 0 1 401.555 2.493 50 0 HEAAMN CCCN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014991478 558694540 /nfs/dbraw/zinc/69/45/40/558694540.db2.gz VMTQEVXGBBHSRF-WMZOPIPTSA-N 0 1 419.913 2.102 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000029066468 558709293 /nfs/dbraw/zinc/70/92/93/558709293.db2.gz HWHGPTBGFHRYBV-UHFFFAOYSA-N 0 1 417.531 2.046 50 0 HEAAMN O=C(C1CCN(Cc2ccccn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015856091 558756924 /nfs/dbraw/zinc/75/69/24/558756924.db2.gz LOATWCKZWANGBM-UHFFFAOYSA-N 0 1 422.529 2.367 50 0 HEAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024867 558768942 /nfs/dbraw/zinc/76/89/42/558768942.db2.gz NTYZDXDWZHLFJP-WDEBQMKVSA-N 0 1 403.482 2.286 50 0 HEAAMN COC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772643 /nfs/dbraw/zinc/77/26/43/558772643.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 0 1 417.506 2.463 50 0 HEAAMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772646 /nfs/dbraw/zinc/77/26/46/558772646.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 0 1 417.506 2.463 50 0 HEAAMN O=C(CNCCOc1ccccc1F)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000016695507 558801014 /nfs/dbraw/zinc/80/10/14/558801014.db2.gz YCQTVALKMACZIU-GOSISDBHSA-N 0 1 420.506 2.010 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000072313782 558841071 /nfs/dbraw/zinc/84/10/71/558841071.db2.gz MSHQBHHQDWGVPC-MRXNPFEDSA-N 0 1 417.535 2.308 50 0 HEAAMN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000033024220 558841645 /nfs/dbraw/zinc/84/16/45/558841645.db2.gz NJVOVHGJQSMAFD-IBGZPJMESA-N 0 1 415.490 2.370 50 0 HEAAMN CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2c1=O ZINC000004660950 558873602 /nfs/dbraw/zinc/87/36/02/558873602.db2.gz ICVRXPJWTAHDIJ-AWEZNQCLSA-N 0 1 405.520 2.479 50 0 HEAAMN C[C@H]1CN(C2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)CCO1 ZINC000058159830 558904812 /nfs/dbraw/zinc/90/48/12/558904812.db2.gz DYULUAOVUIVYAL-LBPRGKRZSA-N 0 1 408.886 2.388 50 0 HEAAMN CN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000058168306 558907753 /nfs/dbraw/zinc/90/77/53/558907753.db2.gz BYMNEDRLAOGHJP-OAQYLSRUSA-N 0 1 418.488 2.245 50 0 HEAAMN O[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000019633922 558947497 /nfs/dbraw/zinc/94/74/97/558947497.db2.gz SULRGNMNWBBLEI-GOTSBHOMSA-N 0 1 404.514 2.417 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(F)cc2F)n1 ZINC000072437587 558980924 /nfs/dbraw/zinc/98/09/24/558980924.db2.gz NTFZARBJYPOFSN-UHFFFAOYSA-N 0 1 411.478 2.444 50 0 HEAAMN CC(C)=CCn1c(=O)c2nc(C(=O)N3CCNCC3)cn2cc1-c1cc(C)oc1C ZINC000072448146 558982640 /nfs/dbraw/zinc/98/26/40/558982640.db2.gz WNMBJVIKWKPPIX-UHFFFAOYSA-N 0 1 409.490 2.384 50 0 HEAAMN O=C(NCc1nnc[nH]1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067472614 558986733 /nfs/dbraw/zinc/98/67/33/558986733.db2.gz FZINBPIRMSTJAK-UHFFFAOYSA-N 0 1 403.490 2.283 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077319439 559001205 /nfs/dbraw/zinc/00/12/05/559001205.db2.gz YQXJJPULLDYMPB-XARGGIHNSA-N 0 1 420.513 2.276 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(F)cc4C)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077553703 559009074 /nfs/dbraw/zinc/00/90/74/559009074.db2.gz BXGPSECAFDGJII-WEMPKCCASA-N 0 1 410.449 2.111 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1cc(F)ccc1C)CC2 ZINC000095507421 559083371 /nfs/dbraw/zinc/08/33/71/559083371.db2.gz UPHZUIMLTUKUOZ-UHFFFAOYSA-N 0 1 400.454 2.020 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)C1CCCCC1)CC2 ZINC000095521210 559085344 /nfs/dbraw/zinc/08/53/44/559085344.db2.gz REDOMCZYYSXRGH-MRXNPFEDSA-N 0 1 402.539 2.475 50 0 HEAAMN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000205946188 559177725 /nfs/dbraw/zinc/17/77/25/559177725.db2.gz ATBAGUATCPSCAJ-CYBMUJFWSA-N 0 1 414.414 2.121 50 0 HEAAMN COC(=O)c1sccc1NC(=S)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000004878167 559195741 /nfs/dbraw/zinc/19/57/41/559195741.db2.gz GAQMUAFNBKQYQD-UHFFFAOYSA-N 0 1 410.565 2.037 50 0 HEAAMN COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000005075820 559241029 /nfs/dbraw/zinc/24/10/29/559241029.db2.gz CYNNOMISGYHFJB-UHFFFAOYSA-N 0 1 400.453 2.175 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000248239641 559269117 /nfs/dbraw/zinc/26/91/17/559269117.db2.gz NVVBORDBMCXQLB-CDLPNCNMSA-N 0 1 405.495 2.098 50 0 HEAAMN O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000252539437 559278380 /nfs/dbraw/zinc/27/83/80/559278380.db2.gz NZAHANUXHIFAOQ-MRXNPFEDSA-N 0 1 408.393 2.264 50 0 HEAAMN CCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)c1=O ZINC000022697305 568415493 /nfs/dbraw/zinc/41/54/93/568415493.db2.gz DJPBZUFRQWSVPK-NRFANRHFSA-N 0 1 401.507 2.236 50 0 HEAAMN CC(C)(C)c1n[nH]c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000012258532 568456450 /nfs/dbraw/zinc/45/64/50/568456450.db2.gz SXAYJODURFZCIU-CQSZACIVSA-N 0 1 408.549 2.415 50 0 HEAAMN CCN1CCN(c2ccc3nnc(CCc4nc(-c5ccc(F)cc5)no4)n3n2)CC1 ZINC000033279883 568513477 /nfs/dbraw/zinc/51/34/77/568513477.db2.gz DDXOEZPJXKAWMM-UHFFFAOYSA-N 0 1 422.468 2.241 50 0 HEAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@]32c3ccccc3NC2=O)cc1 ZINC000020611354 568637012 /nfs/dbraw/zinc/63/70/12/568637012.db2.gz HYEGWQYYXAEAMH-PWSZPPJVSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@]21c2ccccc2NC1=O ZINC000020610791 568637197 /nfs/dbraw/zinc/63/71/97/568637197.db2.gz GWRJPJGBVZPRFD-PWSZPPJVSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN c1cc(CN2CCN(Cc3ccccc3)CC2)n(-c2nnc(N3CCOCC3)s2)c1 ZINC000020942900 568652862 /nfs/dbraw/zinc/65/28/62/568652862.db2.gz OYZGHBKJNLKKQB-UHFFFAOYSA-N 0 1 424.574 2.483 50 0 HEAAMN COc1ccc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@H+]2C3)cc1F ZINC000095981027 568675416 /nfs/dbraw/zinc/67/54/16/568675416.db2.gz ZPHPFNFGAMDALX-RBUKOAKNSA-N 0 1 411.477 2.092 50 0 HEAAMN COc1ccc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1F ZINC000095981027 568675420 /nfs/dbraw/zinc/67/54/20/568675420.db2.gz ZPHPFNFGAMDALX-RBUKOAKNSA-N 0 1 411.477 2.092 50 0 HEAAMN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)c(OC)c1 ZINC000095994100 568678327 /nfs/dbraw/zinc/67/83/27/568678327.db2.gz DBXCJYIFFRIJMV-UHFFFAOYSA-N 0 1 405.885 2.306 50 0 HEAAMN COc1cc(COC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000021487156 568704233 /nfs/dbraw/zinc/70/42/33/568704233.db2.gz HABQIBLFPPJJFW-FQEVSTJZSA-N 0 1 416.518 2.412 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096210260 568704511 /nfs/dbraw/zinc/70/45/11/568704511.db2.gz IRAFWPIYPWVYPS-HXUWFJFHSA-N 0 1 400.523 2.064 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324936 568734612 /nfs/dbraw/zinc/73/46/12/568734612.db2.gz MJUWOTXEYZBSOH-UHFFFAOYSA-N 0 1 418.457 2.028 50 0 HEAAMN CCCN1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1 ZINC000096400173 568749511 /nfs/dbraw/zinc/74/95/11/568749511.db2.gz HSHOKGPDVMEPRE-UHFFFAOYSA-N 0 1 411.531 2.383 50 0 HEAAMN O=C(CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCC1 ZINC000025127791 568750755 /nfs/dbraw/zinc/75/07/55/568750755.db2.gz WOXLLCKIALUWKF-HXUWFJFHSA-N 0 1 420.557 2.395 50 0 HEAAMN COC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731144 568859128 /nfs/dbraw/zinc/85/91/28/568859128.db2.gz HPQPUHWWPCAXES-JZKQVHKSSA-N 0 1 417.506 2.463 50 0 HEAAMN COC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731144 568859129 /nfs/dbraw/zinc/85/91/29/568859129.db2.gz HPQPUHWWPCAXES-JZKQVHKSSA-N 0 1 417.506 2.463 50 0 HEAAMN CN(C(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1)c1ccccc1 ZINC000004248881 568953921 /nfs/dbraw/zinc/95/39/21/568953921.db2.gz SCWPMQUKTHBQSQ-UHFFFAOYSA-N 0 1 409.471 2.360 50 0 HEAAMN Cc1cccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)c1 ZINC000004316449 568962049 /nfs/dbraw/zinc/96/20/49/568962049.db2.gz WIPGFAOXYYIDJT-UHFFFAOYSA-N 0 1 424.549 2.100 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)[nH]c2c1 ZINC000008458220 569004058 /nfs/dbraw/zinc/00/40/58/569004058.db2.gz VFKAYSFWYIJITH-UHFFFAOYSA-N 0 1 416.503 2.242 50 0 HEAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000015862665 569016005 /nfs/dbraw/zinc/01/60/05/569016005.db2.gz WIMWLDXUZLVKDS-UHFFFAOYSA-N 0 1 401.532 2.008 50 0 HEAAMN C[C@@H](CN(CC(=O)N1CCNCC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000015864120 569016327 /nfs/dbraw/zinc/01/63/27/569016327.db2.gz FWRCQONHRVVCON-IBGZPJMESA-N 0 1 408.546 2.430 50 0 HEAAMN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000035380265 569034546 /nfs/dbraw/zinc/03/45/46/569034546.db2.gz CRMZDOVWKGAVMW-FQEVSTJZSA-N 0 1 421.497 2.349 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991459 569074562 /nfs/dbraw/zinc/07/45/62/569074562.db2.gz FDFVGJAHPIIBSH-HXUWFJFHSA-N 0 1 400.523 2.146 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 ZINC000036584209 569202976 /nfs/dbraw/zinc/20/29/76/569202976.db2.gz SBNUYFPHGYZBSJ-QUCCMNQESA-N 0 1 405.458 2.246 50 0 HEAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000036595013 569204542 /nfs/dbraw/zinc/20/45/42/569204542.db2.gz FHIWAZQJPMPGNS-BEFAXECRSA-N 0 1 414.462 2.383 50 0 HEAAMN Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000089643287 569261740 /nfs/dbraw/zinc/26/17/40/569261740.db2.gz LSXUSUGDZNLOHC-UHFFFAOYSA-N 0 1 420.516 2.246 50 0 HEAAMN CS[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@H]1N1CCCC1 ZINC000252486464 569289314 /nfs/dbraw/zinc/28/93/14/569289314.db2.gz KJBAEFFVLSRNCH-RCJHGTSTSA-N 0 1 400.610 2.223 50 0 HEAAMN CCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F ZINC000002275196 569327716 /nfs/dbraw/zinc/32/77/16/569327716.db2.gz QKEOHIUEZWPVAX-UHFFFAOYSA-N 0 1 409.308 2.313 50 0 HEAAMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCN(Cc2ccccn2)CC1 ZINC000253431782 569369749 /nfs/dbraw/zinc/36/97/49/569369749.db2.gz XLQUSEQGEYZXMN-UHFFFAOYSA-N 0 1 401.410 2.313 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32c3cc(C)ccc3NC2=O)cc1 ZINC000002333094 569375871 /nfs/dbraw/zinc/37/58/71/569375871.db2.gz UQCYHMBLCNISLO-VKDGWMQASA-N 0 1 417.465 2.435 50 0 HEAAMN O=C(Cc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCOCC1 ZINC000038709638 571068148 /nfs/dbraw/zinc/06/81/48/571068148.db2.gz LUPYHMBFWXRZSC-UHFFFAOYSA-N 0 1 411.483 2.437 50 0 HEAAMN CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCCN1CCc3ccccc3C1)CCO2 ZINC000581786397 1078766543 /nfs/dbraw/zinc/76/65/43/1078766543.db2.gz VASKMIJLKDOWAY-HXUWFJFHSA-N 0 1 413.562 2.359 50 0 HEAAMN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000009421255 132339513 /nfs/dbraw/zinc/33/95/13/132339513.db2.gz RFDICXQGXRRNEL-GFCCVEGCSA-N 0 1 414.853 2.268 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 ZINC000011698005 132350183 /nfs/dbraw/zinc/35/01/83/132350183.db2.gz KQQUQIBDRWVFMT-UHFFFAOYSA-N 0 1 410.503 2.435 50 0 HEAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000011853365 132351494 /nfs/dbraw/zinc/35/14/94/132351494.db2.gz IRLDHNCIXDLTHZ-FQEVSTJZSA-N 0 1 406.530 2.368 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21c2ccccc2NC1=O ZINC000020566725 520562852 /nfs/dbraw/zinc/56/28/52/520562852.db2.gz JZVXWJKGRYEPKY-CMCWBKRRSA-N 0 1 403.482 2.450 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766391 523920509 /nfs/dbraw/zinc/92/05/09/523920509.db2.gz UWGDEAZMGNKUQB-QGZVFWFLSA-N 0 1 406.939 2.445 50 0 HEAAMN Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)c1 ZINC000045944326 524792305 /nfs/dbraw/zinc/79/23/05/524792305.db2.gz PPEXCXADORMKJE-UHFFFAOYSA-N 0 1 415.559 2.050 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)N(C)C)cc1 ZINC000044901229 525179631 /nfs/dbraw/zinc/17/96/31/525179631.db2.gz PDOSIMRWWXJAIC-LJQANCHMSA-N 0 1 423.473 2.411 50 0 HEAAMN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1O ZINC000031811418 525432567 /nfs/dbraw/zinc/43/25/67/525432567.db2.gz ROSFRHXSUMYUIU-MRXNPFEDSA-N 0 1 423.458 2.336 50 0 HEAAMN Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1 ZINC000032926293 526609610 /nfs/dbraw/zinc/60/96/10/526609610.db2.gz RVDLSZCZPRKZQK-UHFFFAOYSA-N 0 1 422.488 2.096 50 0 HEAAMN Cc1oc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000042381394 526759816 /nfs/dbraw/zinc/75/98/16/526759816.db2.gz JNKJSDFJZZPIBL-GOSISDBHSA-N 0 1 417.531 2.377 50 0 HEAAMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc([C@@H]3CNC(=O)C3)cc1)OCO2 ZINC000004727366 557587495 /nfs/dbraw/zinc/58/74/95/557587495.db2.gz IVCVYOUFDSPGHI-ZDUSSCGKSA-N 0 1 402.428 2.022 50 0 HEAAMN CN(C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1 ZINC000022682539 557766934 /nfs/dbraw/zinc/76/69/34/557766934.db2.gz KNMYVSLGRAAVRE-MRXNPFEDSA-N 0 1 413.540 2.012 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)NCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000009288401 557834577 /nfs/dbraw/zinc/83/45/77/557834577.db2.gz OISMGIGAHCKZQP-UHFFFAOYSA-N 0 1 420.516 2.018 50 0 HEAAMN COc1ccccc1N1CCN(C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771048 558279784 /nfs/dbraw/zinc/27/97/84/558279784.db2.gz OBSAWMCJIMPABH-RTBURBONSA-N 0 1 414.502 2.035 50 0 HEAAMN CN(Cc1n[nH]c2c1CCCC2)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000011819665 558282985 /nfs/dbraw/zinc/28/29/85/558282985.db2.gz KYYPLPLHDROGCW-UHFFFAOYSA-N 0 1 408.506 2.041 50 0 HEAAMN NC(=O)C1(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000011840506 558286654 /nfs/dbraw/zinc/28/66/54/558286654.db2.gz RAYHCMJAZWCGLZ-IBGZPJMESA-N 0 1 417.525 2.311 50 0 HEAAMN C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2 ZINC000011882003 558295570 /nfs/dbraw/zinc/29/55/70/558295570.db2.gz MZTUUUQFQXUXBI-QGZVFWFLSA-N 0 1 421.501 2.298 50 0 HEAAMN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000012163984 558342241 /nfs/dbraw/zinc/34/22/41/558342241.db2.gz BFOUIMGYGDUJBA-OAHLLOKOSA-N 0 1 401.511 2.016 50 0 HEAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(CC)CC3)c21 ZINC000020262824 558352388 /nfs/dbraw/zinc/35/23/88/558352388.db2.gz GQUNRLDTMHQIGR-UHFFFAOYSA-N 0 1 416.522 2.248 50 0 HEAAMN CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)n[nH]1 ZINC000012306830 558375552 /nfs/dbraw/zinc/37/55/52/558375552.db2.gz LVAVCLVUGUYRPI-UHFFFAOYSA-N 0 1 409.556 2.021 50 0 HEAAMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)OCO2 ZINC000012417114 558402300 /nfs/dbraw/zinc/40/23/00/558402300.db2.gz BPOXLMQNKZVNII-SNVBAGLBSA-N 0 1 404.400 2.138 50 0 HEAAMN O=C(c1nc2ccccn2c1CN1CCOCC1)N1CCN(C2CCCCC2)CC1 ZINC000020820840 558416747 /nfs/dbraw/zinc/41/67/47/558416747.db2.gz LPOAEQCJNGAKAJ-UHFFFAOYSA-N 0 1 411.550 2.257 50 0 HEAAMN CCN1CCN(CC(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000020913262 558422370 /nfs/dbraw/zinc/42/23/70/558422370.db2.gz PVPIXRSJBVCBST-UHFFFAOYSA-N 0 1 418.557 2.098 50 0 HEAAMN COc1ccc(NC(=O)[C@@H](C)NC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000022699931 558505436 /nfs/dbraw/zinc/50/54/36/558505436.db2.gz LXUWCVPPYXXGEP-LLVKDONJSA-N 0 1 409.439 2.098 50 0 HEAAMN CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)cc2)CC1 ZINC000013100453 558514444 /nfs/dbraw/zinc/51/44/44/558514444.db2.gz CSVAMFMYRVQPDB-UHFFFAOYSA-N 0 1 403.486 2.347 50 0 HEAAMN COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)c1 ZINC000023025036 558530748 /nfs/dbraw/zinc/53/07/48/558530748.db2.gz RNOMYYHJZUQIDS-QGZVFWFLSA-N 0 1 408.502 2.439 50 0 HEAAMN COC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566225 558541034 /nfs/dbraw/zinc/54/10/34/558541034.db2.gz JEWBGQYMZCBVPN-BFUOFWGJSA-N 0 1 403.479 2.359 50 0 HEAAMN COC(=O)C1C(CN2CCC[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566282 558541308 /nfs/dbraw/zinc/54/13/08/558541308.db2.gz KSWFRTPPWGGEKZ-BFUOFWGJSA-N 0 1 403.479 2.217 50 0 HEAAMN CCCN(C(=O)CSc1n[nH]c(CC2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000025078971 558630528 /nfs/dbraw/zinc/63/05/28/558630528.db2.gz DVYQBVDEHWMBCB-CQSZACIVSA-N 0 1 400.570 2.055 50 0 HEAAMN CCCN(C(=O)CSc1nc(CC2CCCC2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000025078971 558630531 /nfs/dbraw/zinc/63/05/31/558630531.db2.gz DVYQBVDEHWMBCB-CQSZACIVSA-N 0 1 400.570 2.055 50 0 HEAAMN Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000070037569 558702737 /nfs/dbraw/zinc/70/27/37/558702737.db2.gz ICUALTJPEVERKR-UHFFFAOYSA-N 0 1 421.433 2.030 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000029231190 558712043 /nfs/dbraw/zinc/71/20/43/558712043.db2.gz MTJRDHKZCYIJQE-UHFFFAOYSA-N 0 1 403.548 2.181 50 0 HEAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)CC1 ZINC000015073807 558714424 /nfs/dbraw/zinc/71/44/24/558714424.db2.gz NQLRNZTWDYGUCC-LJQANCHMSA-N 0 1 421.501 2.196 50 0 HEAAMN COc1cc(CN(C)Cc2ccno2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000015078519 558717648 /nfs/dbraw/zinc/71/76/48/558717648.db2.gz CAXGJQJDZRATNA-QGZVFWFLSA-N 0 1 407.536 2.104 50 0 HEAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000043747004 558748917 /nfs/dbraw/zinc/74/89/17/558748917.db2.gz OILDWJOAASVCNK-OYYNGEPBSA-N 0 1 414.462 2.383 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2O)ccc1O ZINC000072301036 558750921 /nfs/dbraw/zinc/75/09/21/558750921.db2.gz KQMPGZGIBORDAI-UHFFFAOYSA-N 0 1 402.222 2.448 50 0 HEAAMN C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022218 558768104 /nfs/dbraw/zinc/76/81/04/558768104.db2.gz SXVOGORCJGPMFL-GESWCBNOSA-N 0 1 409.873 2.323 50 0 HEAAMN CC(C)[C@@H](NC(=O)CN1CCN(CCCCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000072308784 558771058 /nfs/dbraw/zinc/77/10/58/558771058.db2.gz GUZCLJFXEOUDHR-HSZRJFAPSA-N 0 1 419.566 2.051 50 0 HEAAMN C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000017028672 558812445 /nfs/dbraw/zinc/81/24/45/558812445.db2.gz NEMLDXOKRDIZGR-CVDCTZTESA-N 0 1 404.470 2.468 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000017028672 558812447 /nfs/dbraw/zinc/81/24/47/558812447.db2.gz NEMLDXOKRDIZGR-CVDCTZTESA-N 0 1 404.470 2.468 50 0 HEAAMN CN(C)c1cccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)c1 ZINC000033032433 558856873 /nfs/dbraw/zinc/85/68/73/558856873.db2.gz CJJNPNMGEYDUAB-UHFFFAOYSA-N 0 1 414.937 2.480 50 0 HEAAMN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)CCCN1CCOCC1 ZINC000019300400 558866111 /nfs/dbraw/zinc/86/61/11/558866111.db2.gz DXGJUTVGULPHHG-UHFFFAOYSA-N 0 1 401.555 2.361 50 0 HEAAMN Cc1cccc(N2CCN(CCCNC(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1 ZINC000058297418 558917354 /nfs/dbraw/zinc/91/73/54/558917354.db2.gz DBZYCMZWTMMPHQ-UHFFFAOYSA-N 0 1 420.521 2.305 50 0 HEAAMN CNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)ccc1OC ZINC000021806237 558952008 /nfs/dbraw/zinc/95/20/08/558952008.db2.gz WMFZWYUPGCYYSN-UHFFFAOYSA-N 0 1 404.423 2.385 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(N2CCOCC2)n1 ZINC000064800393 558966089 /nfs/dbraw/zinc/96/60/89/558966089.db2.gz ZJAHQATWWVBWGZ-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCCCC2)n1 ZINC000065363598 558974567 /nfs/dbraw/zinc/97/45/67/558974567.db2.gz ARFXCBIQDIPUQV-UHFFFAOYSA-N 0 1 419.526 2.425 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nc(N2CCOCC2)n1 ZINC000067601900 558987698 /nfs/dbraw/zinc/98/76/98/558987698.db2.gz UHALGKGKBDTJDX-UHFFFAOYSA-N 0 1 418.448 2.254 50 0 HEAAMN Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 ZINC000067622823 558990055 /nfs/dbraw/zinc/99/00/55/558990055.db2.gz IHYHDMDBGMMFBB-UHFFFAOYSA-N 0 1 401.536 2.205 50 0 HEAAMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC(=O)c2ccccc21 ZINC000097101378 558994126 /nfs/dbraw/zinc/99/41/26/558994126.db2.gz YJMVRAOPRFSGKY-UHFFFAOYSA-N 0 1 424.500 2.239 50 0 HEAAMN CCc1[nH]nc2c1CN(C(=O)[C@@H]1[C@H]3C(=O)N(CC(CC)CC)C[C@@]34C=C[C@@H]1O4)CC2 ZINC000077287854 559000538 /nfs/dbraw/zinc/00/05/38/559000538.db2.gz NLBCMDLQHOILEY-MXBUBSDBSA-N 0 1 412.534 2.075 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000095500643 559082307 /nfs/dbraw/zinc/08/23/07/559082307.db2.gz LNFOVAKJTRMLQE-UHFFFAOYSA-N 0 1 402.882 2.226 50 0 HEAAMN CCc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 ZINC000004959687 559216912 /nfs/dbraw/zinc/21/69/12/559216912.db2.gz YNVIKOUICGKNSB-UHFFFAOYSA-N 0 1 413.459 2.491 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000011858370 559263170 /nfs/dbraw/zinc/26/31/70/559263170.db2.gz BIBIVJMLYDVPSR-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345750 560569965 /nfs/dbraw/zinc/56/99/65/560569965.db2.gz RGQPXDXCEJXXTL-GRXQJBFDSA-N 0 1 419.909 2.143 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1C ZINC000206734712 560740406 /nfs/dbraw/zinc/74/04/06/560740406.db2.gz XMUJCUDSGJKWPX-UHFFFAOYSA-N 0 1 405.524 2.105 50 0 HEAAMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000048189529 568432471 /nfs/dbraw/zinc/43/24/71/568432471.db2.gz PIKLSHLDKMQVRC-UHFFFAOYSA-N 0 1 408.861 2.289 50 0 HEAAMN COc1cccc(-c2cc(C(=O)N3CC(c4nc(-c5cnccn5)no4)C3)n[nH]2)c1 ZINC000049485019 568450884 /nfs/dbraw/zinc/45/08/84/568450884.db2.gz GOSGBAQTYXVDQO-UHFFFAOYSA-N 0 1 403.402 2.165 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCSCC3)cs2)cc1 ZINC000012324136 568471632 /nfs/dbraw/zinc/47/16/32/568471632.db2.gz PMJVLHCKAPDDLF-UHFFFAOYSA-N 0 1 413.546 2.070 50 0 HEAAMN O=C(Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cn1)N1CCOCC1 ZINC000095401337 568605147 /nfs/dbraw/zinc/60/51/47/568605147.db2.gz VHHBLQVQCZGXFM-UHFFFAOYSA-N 0 1 414.853 2.038 50 0 HEAAMN CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cnc[nH]2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000095479314 568632389 /nfs/dbraw/zinc/63/23/89/568632389.db2.gz XGZDHMMIQOFUER-SFTDATJTSA-N 0 1 418.453 2.408 50 0 HEAAMN O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225415128 568635753 /nfs/dbraw/zinc/63/57/53/568635753.db2.gz KLVJSZKYELEMLK-PBHICJAKSA-N 0 1 402.454 2.433 50 0 biogenic HEAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000020761535 568642402 /nfs/dbraw/zinc/64/24/02/568642402.db2.gz FHIWAZQJPMPGNS-KXBFYZLASA-N 0 1 414.462 2.383 50 0 biogenic HEAAMN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000096117312 568696586 /nfs/dbraw/zinc/69/65/86/568696586.db2.gz LKTOUCSHLGIWDX-FQEVSTJZSA-N 0 1 424.476 2.047 50 0 HEAAMN O=C(CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCNCC1 ZINC000021534358 568711657 /nfs/dbraw/zinc/71/16/57/568711657.db2.gz YLWSHANCHLMYMY-UHFFFAOYSA-N 0 1 421.950 2.353 50 0 HEAAMN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1C ZINC000021763080 568752276 /nfs/dbraw/zinc/75/22/76/568752276.db2.gz MVBDNLAQBSUFEO-KRWDZBQOSA-N 0 1 409.577 2.452 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022579226 568770495 /nfs/dbraw/zinc/77/04/95/568770495.db2.gz DVNDYLIAXASXDZ-OAQYLSRUSA-N 0 1 410.518 2.047 50 0 HEAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000022582838 568770943 /nfs/dbraw/zinc/77/09/43/568770943.db2.gz DICLFCOSZDFPEZ-NRFANRHFSA-N 0 1 424.545 2.355 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022582896 568771075 /nfs/dbraw/zinc/77/10/75/568771075.db2.gz LOYNHUJRJWPOHC-UGKGYDQZSA-N 0 1 408.546 2.277 50 0 HEAAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc1 ZINC000001191564 568822796 /nfs/dbraw/zinc/82/27/96/568822796.db2.gz FPBHMNASAWYCEJ-OQLLNIDSSA-N 0 1 412.398 2.048 50 0 HEAAMN CCOCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000057476431 568839551 /nfs/dbraw/zinc/83/95/51/568839551.db2.gz XQELZROZVWKOOV-UHFFFAOYSA-N 0 1 407.444 2.452 50 0 HEAAMN CCOC(=O)C1=C(CNCCCC(=O)OC)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000057531523 568852394 /nfs/dbraw/zinc/85/23/94/568852394.db2.gz SBYDOMVEVJSNMK-SFHVURJKSA-N 0 1 421.519 2.122 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000057851660 568863397 /nfs/dbraw/zinc/86/33/97/568863397.db2.gz KLJWWEXWEOCRNI-QGZVFWFLSA-N 0 1 417.531 2.305 50 0 HEAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCC(N)=O)=N2 ZINC000001399033 568926043 /nfs/dbraw/zinc/92/60/43/568926043.db2.gz JWHOTLIOQSNCTG-OAHLLOKOSA-N 0 1 424.482 2.124 50 0 HEAAMN O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000670454187 568929484 /nfs/dbraw/zinc/92/94/84/568929484.db2.gz ODWJIAZGTAPDON-IBGZPJMESA-N 0 1 420.510 2.287 50 0 HEAAMN CCOC(=O)C1C(COC(=O)Cc2ccc(O)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000084792441 568959688 /nfs/dbraw/zinc/95/96/88/568959688.db2.gz KPBOXGKWIIWDCV-HXUWFJFHSA-N 0 1 410.426 2.349 50 0 HEAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)N1CCN(c2ccccc2)CC1 ZINC000004306471 568960654 /nfs/dbraw/zinc/96/06/54/568960654.db2.gz GNJWRXBZOWOZFJ-UHFFFAOYSA-N 0 1 416.528 2.239 50 0 HEAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000008230793 568983947 /nfs/dbraw/zinc/98/39/47/568983947.db2.gz PIIBDXIPBHTQST-GFCCVEGCSA-N 0 1 402.457 2.108 50 0 HEAAMN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000015773274 568998758 /nfs/dbraw/zinc/99/87/58/568998758.db2.gz BXBBZVUFEVNYGJ-HSZRJFAPSA-N 0 1 424.520 2.432 50 0 HEAAMN CCOC(=O)C1CCN(C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000006154579 569015312 /nfs/dbraw/zinc/01/53/12/569015312.db2.gz DLSUQCGIORSAGI-UHFFFAOYSA-N 0 1 404.492 2.374 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)Cc2cccc(C)c2)c1 ZINC000015864159 569016469 /nfs/dbraw/zinc/01/64/69/569016469.db2.gz BEQUKDNZQMHUDS-UHFFFAOYSA-N 0 1 408.502 2.028 50 0 HEAAMN CCC(CC)[C@@H](CNC(=O)CN1c2ccccc2OCCC1=O)N1CCOCC1 ZINC000012997809 569048360 /nfs/dbraw/zinc/04/83/60/569048360.db2.gz OMOSOCMDLDGFDY-LJQANCHMSA-N 0 1 403.523 2.055 50 0 HEAAMN COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)c1 ZINC000245226054 569055171 /nfs/dbraw/zinc/05/51/71/569055171.db2.gz GMNXXRIOIFEQEK-RTXPOLOASA-N 0 1 403.438 2.126 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035991507 569074572 /nfs/dbraw/zinc/07/45/72/569074572.db2.gz NKNXHACNPBJEDA-LJQANCHMSA-N 0 1 420.941 2.491 50 0 HEAAMN CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000036020581 569077437 /nfs/dbraw/zinc/07/74/37/569077437.db2.gz FDTBGWCEKRVLGI-LPHOPBHVSA-N 0 1 415.490 2.133 50 0 HEAAMN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1 ZINC000036310006 569131256 /nfs/dbraw/zinc/13/12/56/569131256.db2.gz ITFVQSCQECHFTB-JTQLQIEISA-N 0 1 400.298 2.253 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1OC ZINC000064976656 569139837 /nfs/dbraw/zinc/13/98/37/569139837.db2.gz KJEDYDGOOPZEDI-UHFFFAOYSA-N 0 1 411.867 2.348 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(C)C ZINC000036589755 569204191 /nfs/dbraw/zinc/20/41/91/569204191.db2.gz PGZQQTBKKRSXFC-AEFFLSMTSA-N 0 1 404.442 2.412 50 0 HEAAMN CC(C)N1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)CC1 ZINC000065311486 569221459 /nfs/dbraw/zinc/22/14/59/569221459.db2.gz NPUQRKZXRVALHW-UHFFFAOYSA-N 0 1 423.561 2.061 50 0 HEAAMN CC(C)N1CCN(C(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065314067 569223107 /nfs/dbraw/zinc/22/31/07/569223107.db2.gz YGAVUFQCBKBCJZ-OAQYLSRUSA-N 0 1 423.561 2.061 50 0 HEAAMN CC(=O)N1CCc2cc(C(=O)N[C@@H](c3nn[nH]n3)c3ccc(Cl)c(F)c3)ccc21 ZINC000170597621 569242242 /nfs/dbraw/zinc/24/22/42/569242242.db2.gz FZEGUOUDPHREHP-QGZVFWFLSA-N 0 1 414.828 2.421 50 0 HEAAMN COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)c1 ZINC000016944418 569268099 /nfs/dbraw/zinc/26/80/99/569268099.db2.gz TVVCOLOMOMNUHD-UHFFFAOYSA-N 0 1 415.490 2.499 50 0 HEAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000017012934 569271437 /nfs/dbraw/zinc/27/14/37/569271437.db2.gz HDMFBMINWXCXCF-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000252539618 569293234 /nfs/dbraw/zinc/29/32/34/569293234.db2.gz OEJZGBMUNHIHHG-CQSZACIVSA-N 0 1 406.402 2.209 50 0 HEAAMN Cc1ccc(Cl)cc1N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027346488 569294059 /nfs/dbraw/zinc/29/40/59/569294059.db2.gz YQXGBHXPYJKNMN-UHFFFAOYSA-N 0 1 409.939 2.497 50 0 HEAAMN Cc1cc(CN(C)C(=O)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)no1 ZINC000328590073 569414950 /nfs/dbraw/zinc/41/49/50/569414950.db2.gz MFKDDCYIYVWVNK-UHFFFAOYSA-N 0 1 404.898 2.376 50 0 HEAAMN CN(C[C@@H](O)CN1CCN(C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000078996079 569423190 /nfs/dbraw/zinc/42/31/90/569423190.db2.gz ZGGGOVLSINHQOX-MRXNPFEDSA-N 0 1 402.366 2.383 50 0 HEAAMN O[C@H](CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@@H]1CCCO1 ZINC000079076628 569427183 /nfs/dbraw/zinc/42/71/83/569427183.db2.gz TVAPYPRYQXODOA-CVEARBPZSA-N 0 1 423.439 2.219 50 0 HEAAMN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccsc1)N1CCCC1 ZINC000008864240 571128872 /nfs/dbraw/zinc/12/88/72/571128872.db2.gz YFWCOXOACUKARO-INIZCTEOSA-N 0 1 401.488 2.046 50 0 HEAAMN COc1ccc(NC(=O)CCCNC(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009285150 571245121 /nfs/dbraw/zinc/24/51/21/571245121.db2.gz XSWJWDUSLAXFKP-UHFFFAOYSA-N 0 1 424.454 2.022 50 0 HEAAMN C[C@@H](Sc1nncs1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000009664365 571277920 /nfs/dbraw/zinc/27/79/20/571277920.db2.gz YGHOKRQJLJOXTI-SNVBAGLBSA-N 0 1 422.517 2.248 50 0 HEAAMN CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc2C1=O ZINC000009828216 571286783 /nfs/dbraw/zinc/28/67/83/571286783.db2.gz LFSNDKNCVMGSCK-UHFFFAOYSA-N 0 1 406.460 2.359 50 0 HEAAMN CS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)sc2C1 ZINC000077155049 571311839 /nfs/dbraw/zinc/31/18/39/571311839.db2.gz UQJJYQXVICQIFR-UHFFFAOYSA-N 0 1 421.479 2.242 50 0 HEAAMN Cc1[nH]ncc1CNC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000581774344 1078748453 /nfs/dbraw/zinc/74/84/53/1078748453.db2.gz QPRDNYFSIMLCDW-OAHLLOKOSA-N 0 1 408.499 2.355 50 0 HEAAMN O=C(NC[C@H]1Cn2cccc2C(=O)N1Cc1cccnc1)c1n[nH]c2ccccc21 ZINC000581792825 1078775636 /nfs/dbraw/zinc/77/56/36/1078775636.db2.gz RIRVPQRFQZQVMQ-INIZCTEOSA-N 0 1 400.442 2.214 50 0 HEAAMN Cc1cnc(C(=O)N2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803550 1078780185 /nfs/dbraw/zinc/78/01/85/1078780185.db2.gz XNSIPUJHRLGRJQ-FQEVSTJZSA-N 0 1 400.523 2.050 50 0 HEAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000004933365 132296479 /nfs/dbraw/zinc/29/64/79/132296479.db2.gz VFQSEBXSJPMLQE-UHFFFAOYSA-N 0 1 411.458 2.249 50 0 HEAAMN O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011698013 132350153 /nfs/dbraw/zinc/35/01/53/132350153.db2.gz WLZRLTJJAHSUAI-UHFFFAOYSA-N 0 1 414.466 2.265 50 0 HEAAMN Cc1cccnc1N1CCN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000012206187 132356725 /nfs/dbraw/zinc/35/67/25/132356725.db2.gz FHFVRKZBOYQLHZ-DEOSSOPVSA-N 0 1 408.546 2.108 50 0 HEAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C(=O)NCCN2C2CCCC2)CC1 ZINC000012308412 132358287 /nfs/dbraw/zinc/35/82/87/132358287.db2.gz VAAOHPBVEIRMNC-FQEVSTJZSA-N 0 1 418.969 2.430 50 0 HEAAMN COc1cc(C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc(OC)c1OC ZINC000022765416 522116730 /nfs/dbraw/zinc/11/67/30/522116730.db2.gz UFGDHJWDWMNWQL-KRWDZBQOSA-N 0 1 419.547 2.492 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766367 523917169 /nfs/dbraw/zinc/91/71/69/523917169.db2.gz MBUKTGCRSUEHSS-SFHVURJKSA-N 0 1 420.966 2.123 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccsc2)CC1 ZINC000022766292 523919316 /nfs/dbraw/zinc/91/93/16/523919316.db2.gz OTJHNJHYJJEXTI-QGZVFWFLSA-N 0 1 408.474 2.070 50 0 HEAAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766364 524268730 /nfs/dbraw/zinc/26/87/30/524268730.db2.gz CXJQJLUDIRIYMS-GOSISDBHSA-N 0 1 400.548 2.408 50 0 HEAAMN Nc1nccnc1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000031956216 527573045 /nfs/dbraw/zinc/57/30/45/527573045.db2.gz BJZKYAOGCWZQJH-UHFFFAOYSA-N 0 1 402.502 2.311 50 0 HEAAMN Nc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000002436402 557347351 /nfs/dbraw/zinc/34/73/51/557347351.db2.gz NXPYPQXLFSVYAT-UHFFFAOYSA-N 0 1 406.240 2.194 50 0 HEAAMN CC(C)OC[C@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 ZINC000034667997 557361422 /nfs/dbraw/zinc/36/14/22/557361422.db2.gz XITDLXZSXRDMHY-GOSISDBHSA-N 0 1 416.497 2.381 50 0 HEAAMN CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677359 557364912 /nfs/dbraw/zinc/36/49/12/557364912.db2.gz RCRCYSSQZYPFLB-GOSISDBHSA-N 0 1 404.486 2.022 50 0 HEAAMN CCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CCN2CCCCC2)c(=O)n1C ZINC000005144730 557637910 /nfs/dbraw/zinc/63/79/10/557637910.db2.gz WBOSYDOVGVSQIQ-UHFFFAOYSA-N 0 1 400.527 2.052 50 0 HEAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCc2cccnc2)cc1 ZINC000006208106 557694229 /nfs/dbraw/zinc/69/42/29/557694229.db2.gz MXTRFALMUWCHQO-UHFFFAOYSA-N 0 1 400.489 2.159 50 0 HEAAMN CCCC[N@@H+](C)CCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974459 557775999 /nfs/dbraw/zinc/77/59/99/557775999.db2.gz NDJCFFUORJCKLT-UHFFFAOYSA-N 0 1 420.535 2.416 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2)N2CCN(C)CC2)cc1 ZINC000022795416 557822620 /nfs/dbraw/zinc/82/26/20/557822620.db2.gz USRLATFYZUYVMY-OAQYLSRUSA-N 0 1 410.518 2.047 50 0 HEAAMN COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1O ZINC000011973481 558305422 /nfs/dbraw/zinc/30/54/22/558305422.db2.gz WSQFPLDWERIREO-QGZVFWFLSA-N 0 1 401.511 2.274 50 0 HEAAMN Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc32)n[nH]1 ZINC000012299854 558369832 /nfs/dbraw/zinc/36/98/32/558369832.db2.gz BTSQGMHRSYKPOJ-OAQYLSRUSA-N 0 1 405.502 2.220 50 0 HEAAMN O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1CCN1CCCCC1 ZINC000004341823 558425666 /nfs/dbraw/zinc/42/56/66/558425666.db2.gz KOUAODHVMYBNGC-UHFFFAOYSA-N 0 1 403.284 2.226 50 0 HEAAMN COc1ccc(COC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)cc1OC ZINC000022023095 558458645 /nfs/dbraw/zinc/45/86/45/558458645.db2.gz ADXHYFVBGHUPNO-IBGZPJMESA-N 0 1 416.518 2.412 50 0 HEAAMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccc(F)cc1 ZINC000013040077 558506478 /nfs/dbraw/zinc/50/64/78/558506478.db2.gz MBBGFARIUFMXIC-CYBMUJFWSA-N 0 1 409.483 2.374 50 0 HEAAMN O=C(Cc1cccnc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375050 558554543 /nfs/dbraw/zinc/55/45/43/558554543.db2.gz WDQRLHRPXSRNLF-OAQYLSRUSA-N 0 1 422.529 2.162 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000025816210 558650694 /nfs/dbraw/zinc/65/06/94/558650694.db2.gz HGLAQTAOYCZVRG-KSZLIROESA-N 0 1 421.563 2.449 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)N4CCC(C)CC4)CC3)cn2)CC1 ZINC000065166787 558652757 /nfs/dbraw/zinc/65/27/57/558652757.db2.gz OPDFFALSJFYHQI-UHFFFAOYSA-N 0 1 400.571 2.093 50 0 HEAAMN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cn(C)nc4C)CC3)C2=O)cc1 ZINC000014536993 558658531 /nfs/dbraw/zinc/65/85/31/558658531.db2.gz JQBSHDHEIHADEZ-UHFFFAOYSA-N 0 1 411.506 2.166 50 0 HEAAMN COC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000026455876 558661023 /nfs/dbraw/zinc/66/10/23/558661023.db2.gz NGVUFVCNJMXYAK-IBGZPJMESA-N 0 1 403.479 2.217 50 0 HEAAMN CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000014954167 558681693 /nfs/dbraw/zinc/68/16/93/558681693.db2.gz XUHAJHJGPQJMAI-UHFFFAOYSA-N 0 1 406.490 2.060 50 0 HEAAMN COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014996964 558696332 /nfs/dbraw/zinc/69/63/32/558696332.db2.gz XQUNBVZTNBWLIH-UHFFFAOYSA-N 0 1 423.492 2.343 50 0 HEAAMN COC(=O)CCCC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000015065112 558708108 /nfs/dbraw/zinc/70/81/08/558708108.db2.gz XEZATQMSAGLIBH-SFHVURJKSA-N 0 1 403.523 2.152 50 0 HEAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000016101468 558771928 /nfs/dbraw/zinc/77/19/28/558771928.db2.gz IGQXNRCNWYANIQ-UHFFFAOYSA-N 0 1 410.448 2.480 50 0 HEAAMN COC(=O)C1C(CN2CCC[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087026 558772657 /nfs/dbraw/zinc/77/26/57/558772657.db2.gz KSWFRTPPWGGEKZ-YJYMSZOUSA-N 0 1 403.479 2.217 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000072313781 558841077 /nfs/dbraw/zinc/84/10/77/558841077.db2.gz MSHQBHHQDWGVPC-INIZCTEOSA-N 0 1 417.535 2.308 50 0 HEAAMN O=C(NCCN1CCCC[C@@H]1CO)c1cc(COc2cccc3cccnc32)on1 ZINC000019143971 558846619 /nfs/dbraw/zinc/84/66/19/558846619.db2.gz OMCHPBWKWQMRDQ-QGZVFWFLSA-N 0 1 410.474 2.378 50 0 HEAAMN CC(=O)N1c2ccccc2[C@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=N)N2)C1=O ZINC000019321146 558867485 /nfs/dbraw/zinc/86/74/85/558867485.db2.gz OFNGGMMPGNUHAW-SFHVURJKSA-N 0 1 416.363 2.137 50 0 HEAAMN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058158674 558903771 /nfs/dbraw/zinc/90/37/71/558903771.db2.gz LJTMJYSRAXZRKG-IRXDYDNUSA-N 0 1 417.550 2.351 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 ZINC000072139985 558928906 /nfs/dbraw/zinc/92/89/06/558928906.db2.gz PBBKJQZNNVIMQP-UHFFFAOYSA-N 0 1 414.485 2.423 50 0 HEAAMN COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000021806345 558952131 /nfs/dbraw/zinc/95/21/31/558952131.db2.gz GZKPRIVLEVFDAA-ZIAGYGMSSA-N 0 1 420.535 2.454 50 0 HEAAMN O=C([C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)N1CC(N2CCCCC2)C1 ZINC000077485705 559006903 /nfs/dbraw/zinc/00/69/03/559006903.db2.gz PXXAQRGBGZHTIL-JCUDRXCFSA-N 0 1 413.562 2.188 50 0 HEAAMN Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1C[C@@H](CO)N(C)[C@H]1c1ccccc1F ZINC000082106754 559038331 /nfs/dbraw/zinc/03/83/31/559038331.db2.gz MJBHWKSQEXNCRY-HYFFOGBASA-N 0 1 402.514 2.279 50 0 HEAAMN CCOC(=O)C1C(CSc2nnc(N)s2)=NC(=O)N[C@H]1c1ccccc1C ZINC000005018316 559228800 /nfs/dbraw/zinc/22/88/00/559228800.db2.gz UARQMGHJFNLXFI-ZDUSSCGKSA-N 0 1 405.505 2.392 50 0 HEAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000247914129 559249219 /nfs/dbraw/zinc/24/92/19/559249219.db2.gz AUAHBVQNGCBQOO-APWZRJJASA-N 0 1 407.474 2.216 50 0 HEAAMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154120 559253512 /nfs/dbraw/zinc/25/35/12/559253512.db2.gz NRMGSGZXSWMZJW-UHFFFAOYSA-N 0 1 400.456 2.499 50 0 HEAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011858196 559262833 /nfs/dbraw/zinc/26/28/33/559262833.db2.gz JOIYTYVLDIHEDE-CYBMUJFWSA-N 0 1 424.500 2.199 50 0 HEAAMN CCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000050997173 560539209 /nfs/dbraw/zinc/53/92/09/560539209.db2.gz XCVJZHWMPQMWIY-HKUYNNGSSA-N 0 1 416.566 2.273 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)n1 ZINC000206236051 560554772 /nfs/dbraw/zinc/55/47/72/560554772.db2.gz KRGCMDCVCIJSPC-INWMFGNUSA-N 0 1 416.507 2.145 50 0 HEAAMN Cc1[nH]c(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)nc1Cc1ccccc1 ZINC000003429779 560594591 /nfs/dbraw/zinc/59/45/91/560594591.db2.gz CDADJKLZRNKFNE-UHFFFAOYSA-N 0 1 423.498 2.238 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2cccn2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000008773530 560638603 /nfs/dbraw/zinc/63/86/03/560638603.db2.gz PQRSDEZJYYOBIH-SFHVURJKSA-N 0 1 413.430 2.062 50 0 HEAAMN CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3O)=NN2)cc1 ZINC000101762770 560800638 /nfs/dbraw/zinc/80/06/38/560800638.db2.gz FNOPGNXONZKOFZ-HNNXBMFYSA-N 0 1 422.441 2.077 50 0 HEAAMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1NC(C)=O ZINC000048303106 568437896 /nfs/dbraw/zinc/43/78/96/568437896.db2.gz BPABNZLPWCSXEZ-UHFFFAOYSA-N 0 1 409.508 2.308 50 0 HEAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008231030 568495051 /nfs/dbraw/zinc/49/50/51/568495051.db2.gz KWYRSJZFRLDLJD-SFHVURJKSA-N 0 1 403.504 2.386 50 0 HEAAMN CN1CCN(C[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CCO2)CC1 ZINC000095393100 568604238 /nfs/dbraw/zinc/60/42/38/568604238.db2.gz YAONAPFSWDTXNY-IBGZPJMESA-N 0 1 404.518 2.144 50 0 HEAAMN O=C(Cn1cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cn1)N1CCOCC1 ZINC000095401335 568605241 /nfs/dbraw/zinc/60/52/41/568605241.db2.gz ZMOQFFSCIHUSBF-UHFFFAOYSA-N 0 1 414.853 2.038 50 0 HEAAMN Cc1nc(CN2CCN(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)CC2)n[nH]1 ZINC000095467075 568624569 /nfs/dbraw/zinc/62/45/69/568624569.db2.gz WMJFIQGSNSILOX-KRWDZBQOSA-N 0 1 414.510 2.411 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2cc(F)ccc2N(C)C1=O ZINC000095480858 568633294 /nfs/dbraw/zinc/63/32/94/568633294.db2.gz XLPHTBCQJOCSSB-HXUWFJFHSA-N 0 1 418.392 2.240 50 0 HEAAMN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN1CCN(C)CC1 ZINC000020979398 568654156 /nfs/dbraw/zinc/65/41/56/568654156.db2.gz YAUNPTVVHFJFMP-UHFFFAOYSA-N 0 1 406.534 2.257 50 0 HEAAMN COC(=O)N1CCN(c2ccncc2NS(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000225743743 568670503 /nfs/dbraw/zinc/67/05/03/568670503.db2.gz KISIQEOOJYEXGD-UHFFFAOYSA-N 0 1 404.492 2.388 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCN(C)CC2)cc1Cl ZINC000021157137 568673870 /nfs/dbraw/zinc/67/38/70/568673870.db2.gz LTXMEDTYQLOUNP-LJQANCHMSA-N 0 1 417.941 2.030 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324864 568734642 /nfs/dbraw/zinc/73/46/42/568734642.db2.gz LURSKWXBPXRLLU-UHFFFAOYSA-N 0 1 418.457 2.028 50 0 HEAAMN COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000021756726 568752175 /nfs/dbraw/zinc/75/21/75/568752175.db2.gz QYEVSNFXMJOXMA-UHFFFAOYSA-N 0 1 420.487 2.430 50 0 HEAAMN O=C(NC1CCCC1)c1cncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021748761 568752183 /nfs/dbraw/zinc/75/21/83/568752183.db2.gz XOTNFMUJKGKWKA-UHFFFAOYSA-N 0 1 403.460 2.326 50 0 HEAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021890277 568759090 /nfs/dbraw/zinc/75/90/90/568759090.db2.gz NFTWBWCNDJWOLD-UHFFFAOYSA-N 0 1 403.504 2.416 50 0 HEAAMN O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCN(CC2CC2)CC1 ZINC000055673874 568781852 /nfs/dbraw/zinc/78/18/52/568781852.db2.gz PPPGCBJBSQDBHA-UHFFFAOYSA-N 0 1 412.303 2.262 50 0 HEAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415834 568833999 /nfs/dbraw/zinc/83/39/99/568833999.db2.gz OMPLIDXSDAGZMF-GOSISDBHSA-N 0 1 405.520 2.305 50 0 HEAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 ZINC000230156748 568853049 /nfs/dbraw/zinc/85/30/49/568853049.db2.gz OENKZWQKYICDPR-AVRDEDQJSA-N 0 1 423.494 2.443 50 0 HEAAMN COc1ccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cc1Cn1cncn1 ZINC000104531519 569009069 /nfs/dbraw/zinc/00/90/69/569009069.db2.gz RACWOMFJTAVWMV-OAQYLSRUSA-N 0 1 401.555 2.250 50 0 HEAAMN Cc1cccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000015864301 569016475 /nfs/dbraw/zinc/01/64/75/569016475.db2.gz BQAWEZLYCGBNEZ-UHFFFAOYSA-N 0 1 415.559 2.235 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@]21c2ccccc2NC1=O ZINC000035375290 569033920 /nfs/dbraw/zinc/03/39/20/569033920.db2.gz HLDAZIGKCCKODR-UBMGKBNPSA-N 0 1 403.482 2.448 50 0 HEAAMN CC(C)CN(C(=O)CSc1nc(-c2cccs2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000006561504 569066135 /nfs/dbraw/zinc/06/61/35/569066135.db2.gz YZRGWHCWAHGSBC-LBPRGKRZSA-N 0 1 414.578 2.297 50 0 HEAAMN O=C(COc1ccccc1)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 ZINC000006817761 569138684 /nfs/dbraw/zinc/13/86/84/569138684.db2.gz FYIDYVRZTZPFRZ-UHFFFAOYSA-N 0 1 404.473 2.034 50 0 HEAAMN COc1ccc(CCNC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)cc1OC ZINC000006914180 569179918 /nfs/dbraw/zinc/17/99/18/569179918.db2.gz TWNDBFOHVVCAED-UHFFFAOYSA-N 0 1 417.487 2.165 50 0 HEAAMN COc1ccc2[nH]c(C(=O)NCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c2c1 ZINC000524732230 569212584 /nfs/dbraw/zinc/21/25/84/569212584.db2.gz QSGIKLBGIJTTDA-SJORKVTESA-N 0 1 420.513 2.496 50 0 HEAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007505367 569243399 /nfs/dbraw/zinc/24/33/99/569243399.db2.gz TVEVCYQWFADWMM-UHFFFAOYSA-N 0 1 408.432 2.250 50 0 HEAAMN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2=O)c1C ZINC000014519959 569260287 /nfs/dbraw/zinc/26/02/87/569260287.db2.gz IRVKCEOIERFHIY-GOSISDBHSA-N 0 1 407.518 2.442 50 0 HEAAMN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520693 569260303 /nfs/dbraw/zinc/26/03/03/569260303.db2.gz QKIZVMOYWLAZDS-OAQYLSRUSA-N 0 1 420.517 2.001 50 0 HEAAMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000252666838 569319153 /nfs/dbraw/zinc/31/91/53/569319153.db2.gz CMPITBUOJKWALO-WTNAPCKOSA-N 0 1 407.514 2.386 50 0 HEAAMN COc1ccc(CC(=O)N2CCCN(c3ncnc4[nH]cnc43)CC2)c(Cl)c1 ZINC000253417207 569367248 /nfs/dbraw/zinc/36/72/48/569367248.db2.gz HLPRMRSCPFBUOM-UHFFFAOYSA-N 0 1 400.870 2.296 50 0 HEAAMN Cc1cc(C)n(-c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)N4CC(=O)N(C)C)cc2)n1 ZINC000253419421 569367808 /nfs/dbraw/zinc/36/78/08/569367808.db2.gz QCXHWLMKISUHAX-VCSGRIEYSA-N 0 1 409.534 2.303 50 0 HEAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013366643 569412294 /nfs/dbraw/zinc/41/22/94/569412294.db2.gz BHRBCLSACRSJFN-UHFFFAOYSA-N 0 1 414.462 2.363 50 0 HEAAMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C ZINC000079111616 569428126 /nfs/dbraw/zinc/42/81/26/569428126.db2.gz DZVSDLOKKHBKQP-UHFFFAOYSA-N 0 1 400.478 2.013 50 0 HEAAMN O=C(c1ccco1)N1CCN(C(=O)c2[nH]nnc2Nc2ccc(Cl)cc2)CC1 ZINC000067284363 571063613 /nfs/dbraw/zinc/06/36/13/571063613.db2.gz PFYUOELSKPGVFD-UHFFFAOYSA-N 0 1 400.826 2.393 50 0 HEAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)[n-]c(=O)c2C1 ZINC000067291846 571068035 /nfs/dbraw/zinc/06/80/35/571068035.db2.gz JYITWYJRZYABGH-UHFFFAOYSA-N 0 1 416.503 2.468 50 0 HEAAMN CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[n-]c(=O)c2C1 ZINC000067291855 571068384 /nfs/dbraw/zinc/06/83/84/571068384.db2.gz FJEQLCBBAATUDU-UHFFFAOYSA-N 0 1 416.503 2.088 50 0 HEAAMN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000040033893 571141149 /nfs/dbraw/zinc/14/11/49/571141149.db2.gz SUSBIAKGAXRWOH-GOSISDBHSA-N 0 1 413.865 2.283 50 0 HEAAMN O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000009157105 571231934 /nfs/dbraw/zinc/23/19/34/571231934.db2.gz SCIPHKWHNHSGDV-UHFFFAOYSA-N 0 1 414.472 2.168 50 0 HEAAMN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000009516904 571265164 /nfs/dbraw/zinc/26/51/64/571265164.db2.gz SWQIJHWYGPRNJP-UWJYYQICSA-N 0 1 418.925 2.314 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)cc1 ZINC000009821155 571286258 /nfs/dbraw/zinc/28/62/58/571286258.db2.gz VSQRUVRFEIYYGC-UHFFFAOYSA-N 0 1 418.500 2.206 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)cc1 ZINC000009820911 571286335 /nfs/dbraw/zinc/28/63/35/571286335.db2.gz OWJJEPKDQROZIS-UHFFFAOYSA-N 0 1 418.500 2.206 50 0 HEAAMN CCN1CCOc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C1=O ZINC000009828194 571286804 /nfs/dbraw/zinc/28/68/04/571286804.db2.gz VYGRSRWSSAJLLQ-UHFFFAOYSA-N 0 1 406.460 2.359 50 0 HEAAMN COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000009849240 571288174 /nfs/dbraw/zinc/28/81/74/571288174.db2.gz XIYUKKLXXHBZBB-UHFFFAOYSA-N 0 1 404.404 2.140 50 0 HEAAMN COc1cc(COCC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)cc(OC)c1 ZINC000077191441 571312236 /nfs/dbraw/zinc/31/22/36/571312236.db2.gz UNADZHKCYNHRII-IBGZPJMESA-N 0 1 406.523 2.228 50 0 HEAAMN CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C(C)C)CC1)CCO2 ZINC000581786344 1078766034 /nfs/dbraw/zinc/76/60/34/1078766034.db2.gz SLCRHYMPNWWSKL-LJQANCHMSA-N 0 1 408.587 2.308 50 0 HEAAMN COc1ccc(C(=O)N2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803343 1078780032 /nfs/dbraw/zinc/78/00/32/1078780032.db2.gz UXNPXTRHVIYYIU-HXUWFJFHSA-N 0 1 415.534 2.355 50 0 HEAAMN COCCn1c2cccnc2n([C@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)c1=O ZINC000581796434 1078777994 /nfs/dbraw/zinc/77/79/94/1078777994.db2.gz KQQLOHOZQOYFRE-HNNXBMFYSA-N 0 1 420.473 2.198 50 0 HEAAMN CCn1cc(S(=O)(=O)N2CCC[C@@H](Cn3c(C)cnc3C3CCOCC3)C2)cn1 ZINC000575547551 1076344778 /nfs/dbraw/zinc/34/47/78/1076344778.db2.gz IHIIFDDJAUTISH-QGZVFWFLSA-N 0 1 421.567 2.403 50 0 HEAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1 ZINC000008995909 132334806 /nfs/dbraw/zinc/33/48/06/132334806.db2.gz XGMSQGKASJXCND-WMZHIEFXSA-N 0 1 420.469 2.481 50 0 HEAAMN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccccc3OC)cc21 ZINC000009153240 132336534 /nfs/dbraw/zinc/33/65/34/132336534.db2.gz VGLQBFHHIARQBJ-UHFFFAOYSA-N 0 1 422.484 2.108 50 0 HEAAMN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000012661750 132365881 /nfs/dbraw/zinc/36/58/81/132365881.db2.gz TYXOONJQIUQGFQ-KJAAZQAASA-N 0 1 411.546 2.489 50 0 biogenic HEAAMN CCCC(=O)NCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000032928459 519872572 /nfs/dbraw/zinc/87/25/72/519872572.db2.gz ZBZFDVSQNRMJPJ-UHFFFAOYSA-N 0 1 423.466 2.490 50 0 HEAAMN CC[C@@H](C)N(CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1cccs1 ZINC000020582038 522088633 /nfs/dbraw/zinc/08/86/33/522088633.db2.gz IYBRKFOGTYWCOD-GFCCVEGCSA-N 0 1 401.579 2.488 50 0 HEAAMN CCc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000045974212 524011196 /nfs/dbraw/zinc/01/11/96/524011196.db2.gz LAJRFERNCCXUPS-UHFFFAOYSA-N 0 1 407.580 2.394 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)N(C)C)cc1 ZINC000044901227 525354453 /nfs/dbraw/zinc/35/44/53/525354453.db2.gz PDOSIMRWWXJAIC-IBGZPJMESA-N 0 1 423.473 2.411 50 0 HEAAMN O=C1NCCN1c1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000020600237 527070711 /nfs/dbraw/zinc/07/07/11/527070711.db2.gz WFDYFDGJLRVHJX-LJQANCHMSA-N 0 1 400.548 2.347 50 0 HEAAMN O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)Nc1ccccc1F ZINC000044917001 527415749 /nfs/dbraw/zinc/41/57/49/527415749.db2.gz SDPORCTVCHRRQK-UHFFFAOYSA-N 0 1 421.476 2.343 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCCO2 ZINC000001053847 557160942 /nfs/dbraw/zinc/16/09/42/557160942.db2.gz XMCXBLKDLPGVRE-UHFFFAOYSA-N 0 1 412.427 2.301 50 0 HEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677589 557365288 /nfs/dbraw/zinc/36/52/88/557365288.db2.gz ZMNJDHUVWLBPRE-GOSISDBHSA-N 0 1 418.513 2.412 50 0 HEAAMN Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)C2CCC2)CC3)CC1 ZINC000034809713 557463580 /nfs/dbraw/zinc/46/35/80/557463580.db2.gz WCSCIAZPNHEVHL-UHFFFAOYSA-N 0 1 407.518 2.365 50 0 HEAAMN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004223220 557530104 /nfs/dbraw/zinc/53/01/04/557530104.db2.gz LQEXCCAZRABJNV-CYBMUJFWSA-N 0 1 401.282 2.432 50 0 HEAAMN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(C)CC2)c1=O ZINC000022697647 557784306 /nfs/dbraw/zinc/78/43/06/557784306.db2.gz MUIQKSIKZJBNJX-FQEVSTJZSA-N 0 1 405.926 2.499 50 0 HEAAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000022796119 557822912 /nfs/dbraw/zinc/82/29/12/557822912.db2.gz UVBUEOVWJNBZIB-OAQYLSRUSA-N 0 1 412.509 2.486 50 0 HEAAMN O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@H]1CCOC1 ZINC000019740422 558261328 /nfs/dbraw/zinc/26/13/28/558261328.db2.gz DSDKNJQIJRGLTF-HNNXBMFYSA-N 0 1 423.439 2.008 50 0 HEAAMN COc1ccccc1N1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771051 558279675 /nfs/dbraw/zinc/27/96/75/558279675.db2.gz OBSAWMCJIMPABH-OALUTQOASA-N 0 1 414.502 2.035 50 0 HEAAMN CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)n[nH]1 ZINC000011819865 558282998 /nfs/dbraw/zinc/28/29/98/558282998.db2.gz NZUIQMZZPMQVRN-NRFANRHFSA-N 0 1 411.550 2.144 50 0 HEAAMN COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1OC ZINC000019836352 558292822 /nfs/dbraw/zinc/29/28/22/558292822.db2.gz AHYMNNBITOKUCQ-UHFFFAOYSA-N 0 1 421.501 2.284 50 0 HEAAMN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000019898773 558304571 /nfs/dbraw/zinc/30/45/71/558304571.db2.gz MWEWJLYQXQJMEZ-UHFFFAOYSA-N 0 1 416.463 2.128 50 0 HEAAMN CSc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031340 558311405 /nfs/dbraw/zinc/31/14/05/558311405.db2.gz PZESXPQZCLTDAH-GOSISDBHSA-N 0 1 423.608 2.305 50 0 HEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccs2)CC3)cc1 ZINC000012037836 558312104 /nfs/dbraw/zinc/31/21/04/558312104.db2.gz NLSWZLKHKBSDEK-UHFFFAOYSA-N 0 1 411.531 2.379 50 0 HEAAMN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(CC)CC1)COC(C)(C)C2 ZINC000020461789 558373376 /nfs/dbraw/zinc/37/33/76/558373376.db2.gz PFQGPLOHTXEVFY-UHFFFAOYSA-N 0 1 409.552 2.352 50 0 HEAAMN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(CC)CC1 ZINC000020462550 558373812 /nfs/dbraw/zinc/37/38/12/558373812.db2.gz KCLLBYJMUMSSKP-UHFFFAOYSA-N 0 1 402.495 2.319 50 0 HEAAMN CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)s1 ZINC000020515267 558382661 /nfs/dbraw/zinc/38/26/61/558382661.db2.gz ZZBHARXOLYQJCQ-CQSZACIVSA-N 0 1 404.540 2.218 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000020716878 558401606 /nfs/dbraw/zinc/40/16/06/558401606.db2.gz HSKBABXSBWVVDI-KXBFYZLASA-N 0 1 402.472 2.344 50 0 HEAAMN COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000020726543 558404943 /nfs/dbraw/zinc/40/49/43/558404943.db2.gz CSFUYVCAZQIMHW-ZUZCIYMTSA-N 0 1 407.268 2.391 50 0 HEAAMN Cc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000010789499 558451233 /nfs/dbraw/zinc/45/12/33/558451233.db2.gz HCFJINKQFSGGRC-CYBMUJFWSA-N 0 1 419.532 2.467 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3F)ccc21 ZINC000059746228 558481047 /nfs/dbraw/zinc/48/10/47/558481047.db2.gz XSXIQOFJRCFHTP-UHFFFAOYSA-N 0 1 419.522 2.487 50 0 HEAAMN Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000025784922 558650373 /nfs/dbraw/zinc/65/03/73/558650373.db2.gz JRUPAYMUOJZFSI-UHFFFAOYSA-N 0 1 403.504 2.319 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cn2)CC1 ZINC000065166786 558652745 /nfs/dbraw/zinc/65/27/45/558652745.db2.gz CARJGNJVHMKPAV-GOSISDBHSA-N 0 1 400.571 2.093 50 0 HEAAMN CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000026392767 558660154 /nfs/dbraw/zinc/66/01/54/558660154.db2.gz YYPKGNGEBFVJRF-GOSISDBHSA-N 0 1 422.576 2.067 50 0 HEAAMN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000026455898 558661273 /nfs/dbraw/zinc/66/12/73/558661273.db2.gz BVDXLXKEEVSGNH-IBGZPJMESA-N 0 1 403.479 2.361 50 0 HEAAMN COC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000026455898 558661275 /nfs/dbraw/zinc/66/12/75/558661275.db2.gz BVDXLXKEEVSGNH-IBGZPJMESA-N 0 1 403.479 2.361 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)ccc21 ZINC000026833037 558665684 /nfs/dbraw/zinc/66/56/84/558665684.db2.gz ZDWDJLOOHXLTTH-UHFFFAOYSA-N 0 1 413.543 2.322 50 0 HEAAMN CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1 ZINC000014965314 558685451 /nfs/dbraw/zinc/68/54/51/558685451.db2.gz ITEIWEHOMMNRLG-UHFFFAOYSA-N 0 1 409.490 2.301 50 0 HEAAMN Cc1ccc(CN(C)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000015023892 558703446 /nfs/dbraw/zinc/70/34/46/558703446.db2.gz CULQEVCYTRWTCE-KRWDZBQOSA-N 0 1 403.548 2.130 50 0 HEAAMN COc1cc(CN(C)Cc2ccno2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000015078516 558717611 /nfs/dbraw/zinc/71/76/11/558717611.db2.gz CAXGJQJDZRATNA-KRWDZBQOSA-N 0 1 407.536 2.104 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=COCCO3)ccc2OC)cc1 ZINC000015897859 558761294 /nfs/dbraw/zinc/76/12/94/558761294.db2.gz WFOLHHLICDVRDT-UHFFFAOYSA-N 0 1 420.443 2.331 50 0 HEAAMN C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022221 558768182 /nfs/dbraw/zinc/76/81/82/558768182.db2.gz SXVOGORCJGPMFL-LDVYWZEYSA-N 0 1 409.873 2.323 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)c1 ZINC000035422096 558791900 /nfs/dbraw/zinc/79/19/00/558791900.db2.gz YKCGHIKSZBHTNF-UHFFFAOYSA-N 0 1 422.529 2.418 50 0 HEAAMN O=C(CCCN1CCCC1=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055284719 558878736 /nfs/dbraw/zinc/87/87/36/558878736.db2.gz PGWPUXYXBQKAGY-NRFANRHFSA-N 0 1 416.541 2.341 50 0 HEAAMN Cc1ccc(N2N=C(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)NCC2=O)cc1 ZINC000058167740 558907540 /nfs/dbraw/zinc/90/75/40/558907540.db2.gz POODIPDNANDYKW-SFHVURJKSA-N 0 1 409.490 2.181 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN2CC[C@@H](N(C)C)C2)n1CCCc1ccccc1 ZINC000019537769 558914007 /nfs/dbraw/zinc/91/40/07/558914007.db2.gz ARNRSRBAFAFSCC-LJQANCHMSA-N 0 1 404.580 2.445 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000072139310 558928999 /nfs/dbraw/zinc/92/89/99/558928999.db2.gz PKWUIWATHOCAJB-UHFFFAOYSA-N 0 1 414.485 2.423 50 0 HEAAMN COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000021806343 558952117 /nfs/dbraw/zinc/95/21/17/558952117.db2.gz GZKPRIVLEVFDAA-OKILXGFUSA-N 0 1 420.535 2.454 50 0 HEAAMN Cc1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(N2CCCCC2)n1 ZINC000064799791 558965603 /nfs/dbraw/zinc/96/56/03/558965603.db2.gz TUPWBRCCXMBXPB-UHFFFAOYSA-N 0 1 409.490 2.466 50 0 biogenic HEAAMN Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCOCC2)n1 ZINC000064799871 558965732 /nfs/dbraw/zinc/96/57/32/558965732.db2.gz ODJHQPHYOIUWJJ-UHFFFAOYSA-N 0 1 419.888 2.377 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(N2CCCCC2)n1 ZINC000065362004 558972483 /nfs/dbraw/zinc/97/24/83/558972483.db2.gz CDNXDSQRCPZXIU-UHFFFAOYSA-N 0 1 419.526 2.425 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 ZINC000065361908 558972516 /nfs/dbraw/zinc/97/25/16/558972516.db2.gz GBTQPVGLSKGELG-UHFFFAOYSA-N 0 1 401.536 2.205 50 0 HEAAMN C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000065363869 558974894 /nfs/dbraw/zinc/97/48/94/558974894.db2.gz GJWUXMMCCONZTN-QGZVFWFLSA-N 0 1 416.547 2.232 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(N2CCOCC2)n1 ZINC000067629979 558990315 /nfs/dbraw/zinc/99/03/15/558990315.db2.gz RHORNRDPJHEFDW-UHFFFAOYSA-N 0 1 418.448 2.254 50 0 HEAAMN O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)Nc1ccccc1 ZINC000096836873 558993039 /nfs/dbraw/zinc/99/30/39/558993039.db2.gz NGDTWERHYWDOOP-UHFFFAOYSA-N 0 1 403.486 2.204 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077319431 559001182 /nfs/dbraw/zinc/00/11/82/559001182.db2.gz YQXJJPULLDYMPB-JCUDRXCFSA-N 0 1 420.513 2.276 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077553695 559009028 /nfs/dbraw/zinc/00/90/28/559009028.db2.gz BXGPSECAFDGJII-JYLXEMOASA-N 0 1 410.449 2.111 50 0 HEAAMN COc1c(Br)cc(/C=C2\NC(=S)NC2=O)c(O)c1Br ZINC000100285686 559133702 /nfs/dbraw/zinc/13/37/02/559133702.db2.gz SXRFSHQJTLAUJM-UTCJRWHESA-N 0 1 408.071 2.271 50 0 HEAAMN COCC[N@@H+]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000328593835 559166966 /nfs/dbraw/zinc/16/69/66/559166966.db2.gz PUHMBCGOCOHGOX-UHFFFAOYSA-N 0 1 408.296 2.497 50 0 HEAAMN COCC[N@H+]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000328593835 559166968 /nfs/dbraw/zinc/16/69/68/559166968.db2.gz PUHMBCGOCOHGOX-UHFFFAOYSA-N 0 1 408.296 2.497 50 0 HEAAMN COc1cccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)N(C)C)c1 ZINC000023548694 559176866 /nfs/dbraw/zinc/17/68/66/559176866.db2.gz FGQBGQOIHFZWDK-FQEVSTJZSA-N 0 1 419.547 2.415 50 0 HEAAMN COCCCNC(=O)CCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000004951016 559215874 /nfs/dbraw/zinc/21/58/74/559215874.db2.gz IOUKPUHLDXYLTR-UHFFFAOYSA-N 0 1 404.492 2.482 50 0 HEAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCC(OC)OC)c3=O)c2c1 ZINC000004951027 559215886 /nfs/dbraw/zinc/21/58/86/559215886.db2.gz RWMBKBBOSPUFBE-UHFFFAOYSA-N 0 1 420.491 2.064 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000005075816 559241018 /nfs/dbraw/zinc/24/10/18/559241018.db2.gz DQEONGTUWLYHFE-UHFFFAOYSA-N 0 1 412.489 2.045 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2ccco2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000005080243 559242137 /nfs/dbraw/zinc/24/21/37/559242137.db2.gz UEJXRNIHPJDVMV-KRWDZBQOSA-N 0 1 400.387 2.316 50 0 HEAAMN Nc1cc(N)nc(SCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000011769771 559258514 /nfs/dbraw/zinc/25/85/14/559258514.db2.gz YNFDEBIDENGLRE-UHFFFAOYSA-N 0 1 415.519 2.133 50 0 HEAAMN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000206235225 560555060 /nfs/dbraw/zinc/55/50/60/560555060.db2.gz PEPSUXRASFFMSN-QGZVFWFLSA-N 0 1 424.505 2.419 50 0 HEAAMN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000206235225 560555061 /nfs/dbraw/zinc/55/50/61/560555061.db2.gz PEPSUXRASFFMSN-QGZVFWFLSA-N 0 1 424.505 2.419 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000005345814 560569980 /nfs/dbraw/zinc/56/99/80/560569980.db2.gz KYZBMKUVKDJACM-PTDBIEIZSA-N 0 1 419.909 2.143 50 0 HEAAMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)[C@H](C)C2)c1 ZINC000064459824 560810857 /nfs/dbraw/zinc/81/08/57/560810857.db2.gz ISCVRDHTWLPHEP-QGZVFWFLSA-N 0 1 421.505 2.166 50 0 HEAAMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000048229812 568433274 /nfs/dbraw/zinc/43/32/74/568433274.db2.gz FXAJXZSHXILQGB-LBPRGKRZSA-N 0 1 405.549 2.224 50 0 HEAAMN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000048299539 568437114 /nfs/dbraw/zinc/43/71/14/568437114.db2.gz YGPJTPCNXQGYBV-QGZVFWFLSA-N 0 1 406.486 2.382 50 0 HEAAMN CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cnc[nH]2)[C@H]1c1ccc2c(c1)OCO2 ZINC000095479313 568632491 /nfs/dbraw/zinc/63/24/91/568632491.db2.gz XGZDHMMIQOFUER-LEWJYISDSA-N 0 1 418.453 2.408 50 0 HEAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@@]21c2ccccc2NC1=O ZINC000020610789 568637064 /nfs/dbraw/zinc/63/70/64/568637064.db2.gz GWRJPJGBVZPRFD-XHOYROJHSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN CS[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@@H]1N1CCCC1 ZINC000095946054 568663873 /nfs/dbraw/zinc/66/38/73/568663873.db2.gz KJBAEFFVLSRNCH-GGXPGOJBSA-N 0 1 400.610 2.223 50 0 HEAAMN COc1cc(COC[C@H](O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000021487157 568704144 /nfs/dbraw/zinc/70/41/44/568704144.db2.gz HABQIBLFPPJJFW-HXUWFJFHSA-N 0 1 416.518 2.412 50 0 HEAAMN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1 ZINC000021698472 568741136 /nfs/dbraw/zinc/74/11/36/568741136.db2.gz JMSJHSANRJGGPQ-HXUWFJFHSA-N 0 1 422.485 2.323 50 0 HEAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cn(C)c2ccccc12 ZINC000021698456 568741228 /nfs/dbraw/zinc/74/12/28/568741228.db2.gz AOMAHCRGXXZZBW-IBGZPJMESA-N 0 1 422.485 2.307 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCN(C)CC2)cc1 ZINC000022582876 568771028 /nfs/dbraw/zinc/77/10/28/568771028.db2.gz CLWLDWOTUNLQGS-NRFANRHFSA-N 0 1 412.509 2.486 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414278 568833299 /nfs/dbraw/zinc/83/32/99/568833299.db2.gz MYCGFDSLFMQSER-OAQYLSRUSA-N 0 1 424.476 2.429 50 0 HEAAMN COC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccs1 ZINC000057415927 568834046 /nfs/dbraw/zinc/83/40/46/568834046.db2.gz JYAPEIXEWVVADM-LJQANCHMSA-N 0 1 412.515 2.351 50 0 HEAAMN Cc1n[nH]c(C)c1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299792352 568875992 /nfs/dbraw/zinc/87/59/92/568875992.db2.gz DPWLFOGNVUHYPJ-FQEVSTJZSA-N 0 1 416.497 2.436 50 0 HEAAMN O=C(CNC(=O)c1ccccc1Br)NCCN1CCc2ccccc2C1 ZINC000031338761 568924419 /nfs/dbraw/zinc/92/44/19/568924419.db2.gz FXNQXIQBMSLCAO-UHFFFAOYSA-N 0 1 416.319 2.353 50 0 HEAAMN CCCCn1c(N2CCN(Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316416 568962115 /nfs/dbraw/zinc/96/21/15/568962115.db2.gz SLSJVZGSYRGTPE-UHFFFAOYSA-N 0 1 424.549 2.162 50 0 HEAAMN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000015773302 568998854 /nfs/dbraw/zinc/99/88/54/568998854.db2.gz SYDBUUWTSKNTSV-HSZRJFAPSA-N 0 1 406.530 2.293 50 0 HEAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969558 569025161 /nfs/dbraw/zinc/02/51/61/569025161.db2.gz NRMUVLTVWIKAPL-XHOYROJHSA-N 0 1 403.482 2.306 50 0 biogenic HEAAMN Cc1cccc(CN2CCCn3nc(C(=O)NCCN4CCCCC4)cc3C2=O)c1 ZINC000035429374 569036703 /nfs/dbraw/zinc/03/67/03/569036703.db2.gz OVBZBRLMFOPHJP-UHFFFAOYSA-N 0 1 409.534 2.453 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242281 569055386 /nfs/dbraw/zinc/05/53/86/569055386.db2.gz UQCYHMBLCNISLO-SMOZNVCYSA-N 0 1 417.465 2.435 50 0 HEAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1 ZINC000006778056 569118718 /nfs/dbraw/zinc/11/87/18/569118718.db2.gz QMANOCIXEGYFMS-UHFFFAOYSA-N 0 1 400.254 2.404 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)c1 ZINC000064969698 569138638 /nfs/dbraw/zinc/13/86/38/569138638.db2.gz XBXXAUSVHFECST-UHFFFAOYSA-N 0 1 420.466 2.073 50 0 HEAAMN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCN(C)CC4)cc3)ccc21 ZINC000065027004 569155902 /nfs/dbraw/zinc/15/59/02/569155902.db2.gz JLPYOJOVGRIHGF-UHFFFAOYSA-N 0 1 406.530 2.240 50 0 HEAAMN CCn1c(CN2CCCC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908098 569178697 /nfs/dbraw/zinc/17/86/97/569178697.db2.gz VZPYKDJDRPSVBJ-INIZCTEOSA-N 0 1 406.552 2.452 50 0 HEAAMN O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCN2CCCC[C@H]2C1 ZINC000252467432 569287095 /nfs/dbraw/zinc/28/70/95/569287095.db2.gz KNNBOSIAGUCNBE-LSDHHAIUSA-N 0 1 406.324 2.499 50 0 HEAAMN CN(C)CCNC(=O)Cn1ccs/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000037428300 569298828 /nfs/dbraw/zinc/29/88/28/569298828.db2.gz WASRGLFCUFOTAY-SILNSSARSA-N 0 1 401.319 2.275 50 0 HEAAMN Cc1cc(CSc2ncccc2C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)no1 ZINC000078820618 569420615 /nfs/dbraw/zinc/42/06/15/569420615.db2.gz DERPYYBBSUPVFO-UHFFFAOYSA-N 0 1 413.507 2.055 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(-n2cncn2)cc1 ZINC000008862405 571128913 /nfs/dbraw/zinc/12/89/13/571128913.db2.gz JTOGNISYYNDTIL-UHFFFAOYSA-N 0 1 421.442 2.110 50 0 HEAAMN Cc1cc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c(Cl)cc1Cl ZINC000077100113 571311199 /nfs/dbraw/zinc/31/11/99/571311199.db2.gz HJABRXQHAAXZEW-UHFFFAOYSA-N 0 1 414.274 2.382 50 0 HEAAMN CCn1nccc1C(=O)N1CCC(N2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802111 1078771502 /nfs/dbraw/zinc/77/15/02/1078771502.db2.gz FCGLEUSICDGYTH-HXUWFJFHSA-N 0 1 402.539 2.168 50 0 HEAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000002381421 132253614 /nfs/dbraw/zinc/25/36/14/132253614.db2.gz RUCMDQZNAIDCNI-UHFFFAOYSA-N 0 1 412.515 2.336 50 0 HEAAMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2c(cc1C)N(C(C)=O)CCO2 ZINC000006779605 132315860 /nfs/dbraw/zinc/31/58/60/132315860.db2.gz UOAKMFYWHSHLJM-UHFFFAOYSA-N 0 1 404.444 2.328 50 0 HEAAMN COc1cccc(OCCOC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023224718 132479452 /nfs/dbraw/zinc/47/94/52/132479452.db2.gz BEQUTUGOIHZQOT-HXUWFJFHSA-N 0 1 404.482 2.413 50 0 HEAAMN COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC ZINC000032124512 523024139 /nfs/dbraw/zinc/02/41/39/523024139.db2.gz VNENVYDQPMUVLC-LJQANCHMSA-N 0 1 402.451 2.037 50 0 biogenic HEAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Br)ccc1F ZINC000040287209 523195836 /nfs/dbraw/zinc/19/58/36/523195836.db2.gz YLUULEPDPDFBBH-HNNXBMFYSA-N 0 1 411.231 2.141 50 0 HEAAMN Cc1cccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000045974818 524381801 /nfs/dbraw/zinc/38/18/01/524381801.db2.gz CTIGVGZXLGVGQK-UHFFFAOYSA-N 0 1 415.559 2.235 50 0 HEAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000850336 557100707 /nfs/dbraw/zinc/10/07/07/557100707.db2.gz TXDXGKDBVOAOJH-LJQANCHMSA-N 0 1 401.463 2.269 50 0 HEAAMN CC(C)OC[C@@H](O)CN1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1 ZINC000034668046 557361340 /nfs/dbraw/zinc/36/13/40/557361340.db2.gz VANBRZLBIGKXAI-SFHVURJKSA-N 0 1 418.563 2.232 50 0 HEAAMN COC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1 ZINC000008782701 557808456 /nfs/dbraw/zinc/80/84/56/557808456.db2.gz YRNWPBLJQRZGOZ-UHFFFAOYSA-N 0 1 404.444 2.415 50 0 HEAAMN COc1cc(C)c(CN2CCN(C[C@H](O)COCc3ccco3)CC2)cc1OC ZINC000022780507 557819618 /nfs/dbraw/zinc/81/96/18/557819618.db2.gz VLGYPDQBRMZTFZ-IBGZPJMESA-N 0 1 404.507 2.301 50 0 HEAAMN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022795009 557822266 /nfs/dbraw/zinc/82/22/66/557822266.db2.gz NGIMGZOCQBBSQU-OAQYLSRUSA-N 0 1 403.548 2.271 50 0 HEAAMN COc1ccccc1OCc1cc(C(=O)N2CCCN(c3ncccn3)CC2)[nH]n1 ZINC000011819471 558282708 /nfs/dbraw/zinc/28/27/08/558282708.db2.gz GZOOQHKQUTWKBD-UHFFFAOYSA-N 0 1 408.462 2.140 50 0 HEAAMN CCCN1CCN(C(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)CC1 ZINC000011841834 558287511 /nfs/dbraw/zinc/28/75/11/558287511.db2.gz NCNICGXDQXPCPI-JOCHJYFZSA-N 0 1 405.514 2.360 50 0 HEAAMN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2 ZINC000011965900 558304292 /nfs/dbraw/zinc/30/42/92/558304292.db2.gz VBFARSRRFPKORQ-IBGZPJMESA-N 0 1 415.538 2.195 50 0 HEAAMN Cc1occc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccoc2C)CC1 ZINC000020295958 558354436 /nfs/dbraw/zinc/35/44/36/558354436.db2.gz GLCAYJHNIOXINI-UHFFFAOYSA-N 0 1 416.522 2.047 50 0 HEAAMN COc1ccc2nc(CCNC(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)[nH]c2c1 ZINC000012218233 558354545 /nfs/dbraw/zinc/35/45/45/558354545.db2.gz UKCVUTOQXRRIPE-JOCHJYFZSA-N 0 1 410.474 2.495 50 0 HEAAMN O=C(Cc1n[nH]c(=O)[n-]1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000020352052 558356880 /nfs/dbraw/zinc/35/68/80/558356880.db2.gz CDPWCPFOJKPIRF-INIZCTEOSA-N 0 1 403.914 2.055 50 0 HEAAMN O=C([C@H]1CCC(=O)N(CC2CCCCC2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000020455012 558368942 /nfs/dbraw/zinc/36/89/42/558368942.db2.gz LYMYVPSPJQURIU-NRFANRHFSA-N 0 1 405.583 2.376 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000020716866 558401626 /nfs/dbraw/zinc/40/16/26/558401626.db2.gz HSKBABXSBWVVDI-DNVCBOLYSA-N 0 1 402.472 2.344 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(NC(C)=O)cc2)C(=O)N3)cc1 ZINC000020738228 558408421 /nfs/dbraw/zinc/40/84/21/558408421.db2.gz MEYZJIVAVOIDJJ-QGZVFWFLSA-N 0 1 420.429 2.434 50 0 HEAAMN CC(C)CS(=O)(=O)c1ncc(CN2CC[C@H](N(C)C)C2)n1Cc1ccccc1 ZINC000020910393 558422075 /nfs/dbraw/zinc/42/20/75/558422075.db2.gz OPTKRAPEDMJUTL-IBGZPJMESA-N 0 1 404.580 2.497 50 0 HEAAMN Cc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000010789500 558451052 /nfs/dbraw/zinc/45/10/52/558451052.db2.gz HCFJINKQFSGGRC-ZDUSSCGKSA-N 0 1 419.532 2.467 50 0 HEAAMN C[C@H]1Cc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc2N1S(C)(=O)=O ZINC000023133194 558537268 /nfs/dbraw/zinc/53/72/68/558537268.db2.gz AJAHPHLUQWPGFC-SCLBCKFNSA-N 0 1 407.561 2.491 50 0 HEAAMN COC(=O)C1C(CSc2nnc(N)s2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000004436494 558559608 /nfs/dbraw/zinc/55/96/08/558559608.db2.gz BMQIRFDLZWWHGU-CYBMUJFWSA-N 0 1 405.505 2.310 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000014254361 558650976 /nfs/dbraw/zinc/65/09/76/558650976.db2.gz NXGKBVXLNNNIOJ-CQSZACIVSA-N 0 1 419.503 2.091 50 0 HEAAMN Cc1ncc(CN2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccccc3)C2)[nH]1 ZINC000014535300 558658004 /nfs/dbraw/zinc/65/80/04/558658004.db2.gz KHEKNUPCVUPXQK-QFIPXVFZSA-N 0 1 412.534 2.374 50 0 HEAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 ZINC000014749366 558670436 /nfs/dbraw/zinc/67/04/36/558670436.db2.gz UTRXSSHEBRXHIK-UHFFFAOYSA-N 0 1 407.518 2.206 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000029097163 558709887 /nfs/dbraw/zinc/70/98/87/558709887.db2.gz RNOGKUOWXCTRED-QFIPXVFZSA-N 0 1 404.518 2.500 50 0 HEAAMN C[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022241 558768118 /nfs/dbraw/zinc/76/81/18/558768118.db2.gz VFEXCJGQOMAQCM-QGIWFNAWSA-N 0 1 409.873 2.323 50 0 HEAAMN COc1ccccc1N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019731867 558777401 /nfs/dbraw/zinc/77/74/01/558777401.db2.gz HGZOPKBXLASADY-SFHVURJKSA-N 0 1 400.475 2.124 50 0 HEAAMN O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000022077482 558778979 /nfs/dbraw/zinc/77/89/79/558778979.db2.gz LZJPRBUYHCLOCZ-PMACEKPBSA-N 0 1 402.466 2.165 50 0 HEAAMN CCOC[C@H](O)CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000039447151 558821485 /nfs/dbraw/zinc/82/14/85/558821485.db2.gz VHONDFGTBUWILR-HXUWFJFHSA-N 0 1 413.518 2.252 50 0 HEAAMN CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033034307 558858440 /nfs/dbraw/zinc/85/84/40/558858440.db2.gz BJNXSUPWAPWYEO-UHFFFAOYSA-N 0 1 416.547 2.283 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2cnccn2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000011150205 558868379 /nfs/dbraw/zinc/86/83/79/558868379.db2.gz YSADPWPPHFTJHS-INIZCTEOSA-N 0 1 416.821 2.158 50 0 HEAAMN CCN1CCN(CC(=O)Nc2c3cc(Br)ccc3[nH]c2C(=O)OC)CC1 ZINC000019372287 558879521 /nfs/dbraw/zinc/87/95/21/558879521.db2.gz KALXVXBQKKPCIR-UHFFFAOYSA-N 0 1 423.311 2.293 50 0 HEAAMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058158678 558904049 /nfs/dbraw/zinc/90/40/49/558904049.db2.gz LJTMJYSRAXZRKG-DLBZAZTESA-N 0 1 417.550 2.351 50 0 HEAAMN NS(=O)(=O)c1ccc(CCNC(=O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000058165266 558906715 /nfs/dbraw/zinc/90/67/15/558906715.db2.gz ATSZKBFPBKXMKQ-UHFFFAOYSA-N 0 1 423.538 2.372 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(OC)cc3OC)CC2)CC1 ZINC000004725538 558930512 /nfs/dbraw/zinc/93/05/12/558930512.db2.gz UJKBSKNORGDVJP-UHFFFAOYSA-N 0 1 419.522 2.217 50 0 HEAAMN COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc21 ZINC000021756829 558948340 /nfs/dbraw/zinc/94/83/40/558948340.db2.gz PRJQSOUICASGTA-UHFFFAOYSA-N 0 1 420.487 2.430 50 0 HEAAMN Cc1cccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000065362495 558973238 /nfs/dbraw/zinc/97/32/38/558973238.db2.gz PACYZITXALKZIK-UHFFFAOYSA-N 0 1 416.547 2.152 50 0 HEAAMN O=C(NCc1nnc[nH]1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067754668 558992311 /nfs/dbraw/zinc/99/23/11/558992311.db2.gz FALYCVYKLRIGPZ-INIZCTEOSA-N 0 1 403.490 2.283 50 0 HEAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCCN(C)CC2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067909348 558994567 /nfs/dbraw/zinc/99/45/67/558994567.db2.gz BSCARYFITFGMEG-IPJJNNNSSA-N 0 1 402.539 2.108 50 0 HEAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCCN(C)CC2)[C@H](c2cccnc2)[N@H+]1C ZINC000067909348 558994569 /nfs/dbraw/zinc/99/45/69/558994569.db2.gz BSCARYFITFGMEG-IPJJNNNSSA-N 0 1 402.539 2.108 50 0 HEAAMN O=C(NCc1ccccc1)C1CCN(CCS(=O)(=O)Oc2ccccc2)CC1 ZINC000022504398 558997655 /nfs/dbraw/zinc/99/76/55/558997655.db2.gz HPLAOGJFIRLBDW-UHFFFAOYSA-N 0 1 402.516 2.424 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000095528776 559086433 /nfs/dbraw/zinc/08/64/33/559086433.db2.gz QPGBSXDDDZTCDL-UHFFFAOYSA-N 0 1 400.454 2.020 50 0 HEAAMN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000252548600 559278383 /nfs/dbraw/zinc/27/83/83/559278383.db2.gz QFXUXONMMCKXLR-QGZVFWFLSA-N 0 1 418.457 2.244 50 0 HEAAMN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000252548600 559278384 /nfs/dbraw/zinc/27/83/84/559278384.db2.gz QFXUXONMMCKXLR-QGZVFWFLSA-N 0 1 418.457 2.244 50 0 HEAAMN COc1cccc([C@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1 ZINC000018180651 560781740 /nfs/dbraw/zinc/78/17/40/560781740.db2.gz XXTPRJUWHHTUAK-IBGZPJMESA-N 0 1 418.519 2.301 50 0 HEAAMN COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2O)=NN1 ZINC000101762708 560800644 /nfs/dbraw/zinc/80/06/44/560800644.db2.gz JHSCOIGBQPNVKN-CQSZACIVSA-N 0 1 412.833 2.332 50 0 HEAAMN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)s1 ZINC000095455482 568617078 /nfs/dbraw/zinc/61/70/78/568617078.db2.gz ZEVONMYFNNFXIK-INIZCTEOSA-N 0 1 413.609 2.216 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cc(F)ccc2N(C)C1=O ZINC000095480859 568633380 /nfs/dbraw/zinc/63/33/80/568633380.db2.gz XLPHTBCQJOCSSB-FQEVSTJZSA-N 0 1 418.392 2.240 50 0 HEAAMN O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCc1ccccc1 ZINC000020611543 568637243 /nfs/dbraw/zinc/63/72/43/568637243.db2.gz IGHWPCUWJLETAV-FQEVSTJZSA-N 0 1 402.454 2.201 50 0 biogenic HEAAMN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1cccnc1 ZINC000020935767 568652399 /nfs/dbraw/zinc/65/23/99/568652399.db2.gz DKUMGMXNGLAUIQ-UHFFFAOYSA-N 0 1 412.402 2.213 50 0 HEAAMN Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(CC(=O)Nc3ccccc3Cl)CC1)C2 ZINC000096003925 568682100 /nfs/dbraw/zinc/68/21/00/568682100.db2.gz ZZSSGWALAKDYLA-OAHLLOKOSA-N 0 1 415.925 2.259 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000096210261 568704444 /nfs/dbraw/zinc/70/44/44/568704444.db2.gz IRAFWPIYPWVYPS-FQEVSTJZSA-N 0 1 400.523 2.064 50 0 HEAAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000096221958 568705559 /nfs/dbraw/zinc/70/55/59/568705559.db2.gz WYQCAUHMWUSOGB-INIZCTEOSA-N 0 1 410.478 2.397 50 0 biogenic HEAAMN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000096221958 568705562 /nfs/dbraw/zinc/70/55/62/568705562.db2.gz WYQCAUHMWUSOGB-INIZCTEOSA-N 0 1 410.478 2.397 50 0 biogenic HEAAMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000229653590 568714944 /nfs/dbraw/zinc/71/49/44/568714944.db2.gz ZOCBTAFRCADCIU-HLLBOEOZSA-N 0 1 409.477 2.185 50 0 HEAAMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000229653579 568715002 /nfs/dbraw/zinc/71/50/02/568715002.db2.gz ZOCBTAFRCADCIU-BFYDXBDKSA-N 0 1 409.477 2.185 50 0 HEAAMN CN(C)c1cccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324913 568734525 /nfs/dbraw/zinc/73/45/25/568734525.db2.gz WOIXNRZXWZJDOY-UHFFFAOYSA-N 0 1 404.474 2.136 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCN(C)CC2)cc1 ZINC000022582866 568771064 /nfs/dbraw/zinc/77/10/64/568771064.db2.gz OUMUYJSRGFRBRU-FQEVSTJZSA-N 0 1 416.472 2.317 50 0 HEAAMN CCCC[N@@H+](C)CCNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975305 568832381 /nfs/dbraw/zinc/83/23/81/568832381.db2.gz HCQOMTALIDAXKF-UHFFFAOYSA-N 0 1 406.508 2.026 50 0 HEAAMN N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(-n3ccnc3)cc2)N1)OCCCO4 ZINC000012547322 568850813 /nfs/dbraw/zinc/85/08/13/568850813.db2.gz XGTVOCRTUNZODO-IBGZPJMESA-N 0 1 401.430 2.480 50 0 HEAAMN CCOC(=O)C1=C(CNCCCC(=O)OC)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000057531522 568852407 /nfs/dbraw/zinc/85/24/07/568852407.db2.gz SBYDOMVEVJSNMK-GOSISDBHSA-N 0 1 421.519 2.122 50 0 HEAAMN O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)NN1CCC[C@@H]2C=CC=C[C@H]21 ZINC000230172890 568853917 /nfs/dbraw/zinc/85/39/17/568853917.db2.gz MJCOJEAMEBGKOA-DOTOQJQBSA-N 0 1 400.504 2.417 50 0 HEAAMN N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc3ccccc3[nH]c2=O)N1)OCCCO4 ZINC000012552475 568854358 /nfs/dbraw/zinc/85/43/58/568854358.db2.gz MDSBCFYNHNUERI-SFHVURJKSA-N 0 1 402.414 2.135 50 0 HEAAMN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031808459 568931613 /nfs/dbraw/zinc/93/16/13/568931613.db2.gz SVDQMVCNKYMRCG-ZDUSSCGKSA-N 0 1 405.418 2.338 50 0 HEAAMN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c(OC)c1 ZINC000031808800 568931867 /nfs/dbraw/zinc/93/18/67/568931867.db2.gz XVDZQBQEBSOCBL-ZDUSSCGKSA-N 0 1 405.418 2.338 50 0 HEAAMN COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000031810823 568932505 /nfs/dbraw/zinc/93/25/05/568932505.db2.gz IAUZLKLAOKNAED-MRXNPFEDSA-N 0 1 407.268 2.392 50 0 HEAAMN COc1ccc2nc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000004273802 568957866 /nfs/dbraw/zinc/95/78/66/568957866.db2.gz ROIOIICOVDULGA-ZDUSSCGKSA-N 0 1 411.549 2.335 50 0 HEAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000008230797 568983935 /nfs/dbraw/zinc/98/39/35/568983935.db2.gz PIIBDXIPBHTQST-LBPRGKRZSA-N 0 1 402.457 2.108 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2)c(C)c1 ZINC000015864175 569016427 /nfs/dbraw/zinc/01/64/27/569016427.db2.gz PUYIZPJQDNIEFI-UHFFFAOYSA-N 0 1 415.559 2.235 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242282 569055416 /nfs/dbraw/zinc/05/54/16/569055416.db2.gz UQCYHMBLCNISLO-UECWXEIQSA-N 0 1 417.465 2.435 50 0 HEAAMN C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2[C@H](C)O1 ZINC000247989876 569057625 /nfs/dbraw/zinc/05/76/25/569057625.db2.gz AAXHHKHQORLYBE-PREKQLOASA-N 0 1 405.454 2.494 50 0 HEAAMN CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nn2)CC1 ZINC000033261538 569059453 /nfs/dbraw/zinc/05/94/53/569059453.db2.gz CKBCUENIPHEMIY-HXUWFJFHSA-N 0 1 408.550 2.151 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2=NNC(=O)CC2)ccc1C ZINC000006623193 569075111 /nfs/dbraw/zinc/07/51/11/569075111.db2.gz GJMQZLTVUXLPLK-UHFFFAOYSA-N 0 1 416.459 2.009 50 0 HEAAMN COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 ZINC000064799707 569097259 /nfs/dbraw/zinc/09/72/59/569097259.db2.gz ILOFLNBVAXGLBL-UHFFFAOYSA-N 0 1 411.506 2.365 50 0 HEAAMN Nc1cc(N)nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000006821889 569140937 /nfs/dbraw/zinc/14/09/37/569140937.db2.gz KRLBNTGFGXNKCS-CYBMUJFWSA-N 0 1 401.492 2.258 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)cn1C ZINC000007007105 569199836 /nfs/dbraw/zinc/19/98/36/569199836.db2.gz DNRMAOGNMAUUCO-UHFFFAOYSA-N 0 1 423.510 2.141 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000007007024 569199864 /nfs/dbraw/zinc/19/98/64/569199864.db2.gz YCXVHESHIOGGCC-UHFFFAOYSA-N 0 1 409.483 2.131 50 0 HEAAMN O=C(NCCN1CCc2ccccc2C1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000065227429 569200328 /nfs/dbraw/zinc/20/03/28/569200328.db2.gz QRRADKKFPIZJEP-UHFFFAOYSA-N 0 1 416.529 2.416 50 0 HEAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000036576072 569201017 /nfs/dbraw/zinc/20/10/17/569201017.db2.gz CSFUYVCAZQIMHW-BMIGLBTASA-N 0 1 407.268 2.391 50 0 HEAAMN CCCCN1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)CC1 ZINC000065239820 569203482 /nfs/dbraw/zinc/20/34/82/569203482.db2.gz SIHOYOWPVAWLTE-UHFFFAOYSA-N 0 1 411.554 2.457 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000036593745 569204453 /nfs/dbraw/zinc/20/44/53/569204453.db2.gz WLRZVXYQBBVFJD-SJLPKXTDSA-N 0 1 418.519 2.370 50 0 HEAAMN CN(C)CCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731841 569212473 /nfs/dbraw/zinc/21/24/73/569212473.db2.gz MFMIUKKQKUPNCA-OAHLLOKOSA-N 0 1 424.453 2.427 50 0 HEAAMN CC(C)CN1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312959 569222318 /nfs/dbraw/zinc/22/23/18/569222318.db2.gz CHLVIVZHYDATBL-INIZCTEOSA-N 0 1 404.946 2.399 50 0 HEAAMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007505372 569243394 /nfs/dbraw/zinc/24/33/94/569243394.db2.gz SMOXWTMFXDPZKJ-UHFFFAOYSA-N 0 1 409.416 2.062 50 0 HEAAMN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(-c3cccs3)n[nH]1)C2=O ZINC000014136511 569258705 /nfs/dbraw/zinc/25/87/05/569258705.db2.gz SLXARMBCXCKETC-UHFFFAOYSA-N 0 1 420.520 2.157 50 0 HEAAMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014521131 569260428 /nfs/dbraw/zinc/26/04/28/569260428.db2.gz HOYFLLUZCXTFIC-UHFFFAOYSA-N 0 1 418.501 2.457 50 0 HEAAMN O=C(Cn1c(=O)oc2ccc(NC(=O)[C@H]3CCCc4cn[nH]c43)cc21)N1CCCCC1 ZINC000089807357 569266200 /nfs/dbraw/zinc/26/62/00/569266200.db2.gz GFBMTTGUEVMYJW-INIZCTEOSA-N 0 1 423.473 2.389 50 0 HEAAMN COc1ccc(Cn2c(=O)[nH]c(=O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2[O-])cc1 ZINC000016956695 569268467 /nfs/dbraw/zinc/26/84/67/569268467.db2.gz UDSNPDRITUGCKL-FQEVSTJZSA-N 0 1 418.453 2.016 50 0 biogenic HEAAMN COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CN2CCCCC2)cc1=O ZINC000016974402 569269633 /nfs/dbraw/zinc/26/96/33/569269633.db2.gz KKCLWGLHZHJZQO-UHFFFAOYSA-N 0 1 413.474 2.253 50 0 HEAAMN O=c1[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCc1ccc(F)cc1 ZINC000002130076 569286508 /nfs/dbraw/zinc/28/65/08/569286508.db2.gz SQJFGFRYTXTCLK-HXUWFJFHSA-N 0 1 420.444 2.340 50 0 biogenic HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n(-c2ccc(F)cc2)c1[O-] ZINC000002130324 569287195 /nfs/dbraw/zinc/28/71/95/569287195.db2.gz ZJAOOEFPTNWAPN-IBGZPJMESA-N 0 1 422.416 2.096 50 0 biogenic HEAAMN O=C(CCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000252485116 569289178 /nfs/dbraw/zinc/28/91/78/569289178.db2.gz GNQQMAOZMLRHJO-JOCHJYFZSA-N 0 1 408.481 2.362 50 0 HEAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979058 569372889 /nfs/dbraw/zinc/37/28/89/569372889.db2.gz DAEUMICVFIDSQQ-LJQANCHMSA-N 0 1 401.463 2.462 50 0 HEAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(N)=O)c1 ZINC000013061644 569408318 /nfs/dbraw/zinc/40/83/18/569408318.db2.gz SHQZKTILRCECMB-JTQLQIEISA-N 0 1 412.851 2.180 50 0 HEAAMN COc1ccc(CCc2nnc(NC(=O)C[C@H]3NC(=O)c4ccccc43)[nH]2)cc1OC ZINC000079478387 569431607 /nfs/dbraw/zinc/43/16/07/569431607.db2.gz NNPOTLTYNHGODU-MRXNPFEDSA-N 0 1 421.457 2.420 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)C[C@H]3NC(=O)c4ccccc43)n2)cc1OC ZINC000079478387 569431610 /nfs/dbraw/zinc/43/16/10/569431610.db2.gz NNPOTLTYNHGODU-MRXNPFEDSA-N 0 1 421.457 2.420 50 0 HEAAMN CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000245108443 571214488 /nfs/dbraw/zinc/21/44/88/571214488.db2.gz SXLOPMFUMIYYIU-QFIPXVFZSA-N 0 1 413.562 2.363 50 0 HEAAMN CCc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000009685195 571279741 /nfs/dbraw/zinc/27/97/41/571279741.db2.gz OXKYHAVLUPQCIR-UHFFFAOYSA-N 0 1 405.520 2.478 50 0 HEAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009963501 571293011 /nfs/dbraw/zinc/29/30/11/571293011.db2.gz XBNURYIBMUKISL-VIFPVBQESA-N 0 1 409.518 2.300 50 0 HEAAMN Cc1noc(C)c1S(=O)(=O)N1CC(c2noc([C@H]3CCCN3CC3CC3)n2)C1 ZINC000575542864 1076334476 /nfs/dbraw/zinc/33/44/76/1076334476.db2.gz ZUYDRHSPCSFNJH-OAHLLOKOSA-N 0 1 407.496 2.009 50 0 HEAAMN COc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1 ZINC000001154058 132239316 /nfs/dbraw/zinc/23/93/16/132239316.db2.gz GOCYOOBTEKFGJO-CPNJWEJPSA-N 0 1 423.494 2.363 50 0 HEAAMN COc1cc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc43)C2)cc(OC)c1OC ZINC000009059537 132335283 /nfs/dbraw/zinc/33/52/83/132335283.db2.gz YWYYJMNHNIDISA-LBPRGKRZSA-N 0 1 412.450 2.234 50 0 HEAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000012069403 132353277 /nfs/dbraw/zinc/35/32/77/132353277.db2.gz ALDZRINQTOBJGN-UHFFFAOYSA-N 0 1 414.937 2.285 50 0 HEAAMN Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CCc1ccccc1 ZINC000045944322 525327345 /nfs/dbraw/zinc/32/73/45/525327345.db2.gz IZJBRDMKMGIRKO-UHFFFAOYSA-N 0 1 415.559 2.050 50 0 HEAAMN Cc1c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)nnn1-c1ccc(F)cc1 ZINC000069926074 525611299 /nfs/dbraw/zinc/61/12/99/525611299.db2.gz XGTXSIWGVUSOBD-UHFFFAOYSA-N 0 1 422.508 2.262 50 0 HEAAMN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)CC1 ZINC000008992796 535602142 /nfs/dbraw/zinc/60/21/42/535602142.db2.gz BHOCBZQMXTWHLE-ZDUSSCGKSA-N 0 1 420.901 2.024 50 0 HEAAMN Nc1nc(SCC(=O)NCc2ccccc2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000002712462 557746101 /nfs/dbraw/zinc/74/61/01/557746101.db2.gz BAJGQZURNPAPDM-UHFFFAOYSA-N 0 1 415.500 2.074 50 0 HEAAMN O=c1c2c(O)cc(CSc3nnnn3-c3ccccc3)[nH]c-2nn1-c1ccccc1 ZINC000009014249 557819375 /nfs/dbraw/zinc/81/93/75/557819375.db2.gz AGKYOODUQOEVHZ-UHFFFAOYSA-N 0 1 417.454 2.275 50 0 HEAAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000022796113 557822829 /nfs/dbraw/zinc/82/28/29/557822829.db2.gz UVBUEOVWJNBZIB-NRFANRHFSA-N 0 1 412.509 2.486 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1F ZINC000022796322 557823014 /nfs/dbraw/zinc/82/30/14/557823014.db2.gz CCAVINRKRHCHOC-FQEVSTJZSA-N 0 1 416.472 2.317 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(C)c1 ZINC000022796208 557823121 /nfs/dbraw/zinc/82/31/21/557823121.db2.gz YZJWKFQMLBWZFR-NRFANRHFSA-N 0 1 412.509 2.486 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CCN(C)CC2)cc1 ZINC000022796523 557823266 /nfs/dbraw/zinc/82/32/66/557823266.db2.gz WJFUYYQJYNXDMZ-HSZRJFAPSA-N 0 1 422.573 2.149 50 0 HEAAMN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022796469 557823382 /nfs/dbraw/zinc/82/33/82/557823382.db2.gz BXXKEHIICBWRSX-JOCHJYFZSA-N 0 1 408.546 2.025 50 0 HEAAMN O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@@H]1CCOC1 ZINC000019740420 558261311 /nfs/dbraw/zinc/26/13/11/558261311.db2.gz DSDKNJQIJRGLTF-OAHLLOKOSA-N 0 1 423.439 2.008 50 0 HEAAMN COc1ccccc1N1CCN(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771050 558279802 /nfs/dbraw/zinc/27/98/02/558279802.db2.gz OBSAWMCJIMPABH-MOPGFXCFSA-N 0 1 414.502 2.035 50 0 HEAAMN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020069295 558330575 /nfs/dbraw/zinc/33/05/75/558330575.db2.gz RDHWUXZCBWELNX-FQEVSTJZSA-N 0 1 400.523 2.112 50 0 HEAAMN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)C1 ZINC000012207010 558353066 /nfs/dbraw/zinc/35/30/66/558353066.db2.gz GXGUEDVKLYVEDJ-ZDUSSCGKSA-N 0 1 401.419 2.133 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cc(OC)ccc2OC)C(=O)N3)cc1 ZINC000020716572 558401613 /nfs/dbraw/zinc/40/16/13/558401613.db2.gz VPNQJWYBDDAZQZ-MRXNPFEDSA-N 0 1 423.429 2.493 50 0 HEAAMN O=C(NC[C@@H]1COCCO1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012460096 558419081 /nfs/dbraw/zinc/41/90/81/558419081.db2.gz HBOIIWFEWPQGQL-JOCHJYFZSA-N 0 1 411.502 2.270 50 0 HEAAMN COc1cccc(CNCc2ccc(F)cc2)c1OC[C@H](O)CN1CCOCC1 ZINC000012468862 558421270 /nfs/dbraw/zinc/42/12/70/558421270.db2.gz WQEPHWZSFMLQOK-HXUWFJFHSA-N 0 1 404.482 2.196 50 0 HEAAMN COc1ccc(COC[C@H](O)CN2CCN(c3ccccc3OC)CC2)cc1OC ZINC000022023096 558458558 /nfs/dbraw/zinc/45/85/58/558458558.db2.gz ADXHYFVBGHUPNO-LJQANCHMSA-N 0 1 416.518 2.412 50 0 HEAAMN COCCNC(=O)C1CCN(CC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000012796913 558469466 /nfs/dbraw/zinc/46/94/66/558469466.db2.gz NGUUJQLFQLPGFE-UHFFFAOYSA-N 0 1 407.514 2.347 50 0 HEAAMN CCc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)[n-]n(-c1cc(F)ccc1F)c2=O ZINC000012866996 558482101 /nfs/dbraw/zinc/48/21/01/558482101.db2.gz CYIITHFCXXBOEQ-UHFFFAOYSA-N 0 1 418.444 2.043 50 0 HEAAMN COc1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000013592113 558546445 /nfs/dbraw/zinc/54/64/45/558546445.db2.gz HJLVOEMTJPHODK-HXHYMRLSSA-N 0 1 409.486 2.457 50 0 HEAAMN O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000024243673 558593064 /nfs/dbraw/zinc/59/30/64/558593064.db2.gz ZMCMKAAOCHGNIX-UHFFFAOYSA-N 0 1 404.879 2.073 50 0 HEAAMN COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1 ZINC000014998764 558696823 /nfs/dbraw/zinc/69/68/23/558696823.db2.gz KMDZNLWUHQACAB-OAHLLOKOSA-N 0 1 401.511 2.187 50 0 HEAAMN COCc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n[nH]1 ZINC000015063785 558706548 /nfs/dbraw/zinc/70/65/48/558706548.db2.gz ALXALVPZTXPWPT-MRXNPFEDSA-N 0 1 402.470 2.135 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)cc1 ZINC000015074121 558714797 /nfs/dbraw/zinc/71/47/97/558714797.db2.gz BEQODJHEOAPXKB-HXUWFJFHSA-N 0 1 416.547 2.368 50 0 HEAAMN COC(=O)CNC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000015952031 558763881 /nfs/dbraw/zinc/76/38/81/558763881.db2.gz XWDFJRXRPCXKBR-UHFFFAOYSA-N 0 1 422.513 2.298 50 0 HEAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016699019 558801314 /nfs/dbraw/zinc/80/13/14/558801314.db2.gz AUAHBVQNGCBQOO-QFBILLFUSA-N 0 1 407.474 2.216 50 0 HEAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)N(C(C)=O)N2)C1=O ZINC000017028571 558812490 /nfs/dbraw/zinc/81/24/90/558812490.db2.gz JPMAFFJEMGNVKR-RIBQPWQFSA-N 0 1 420.853 2.347 50 0 HEAAMN CCOC(=O)COc1ccc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc1OC ZINC000000678069 558829979 /nfs/dbraw/zinc/82/99/79/558829979.db2.gz QKUYTDUGADCVIP-MHWRWJLKSA-N 0 1 414.389 2.238 50 0 HEAAMN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000058164049 558906526 /nfs/dbraw/zinc/90/65/26/558906526.db2.gz MSNRFSDXZLMVAF-CYBMUJFWSA-N 0 1 419.503 2.248 50 0 HEAAMN O=C([C@H]1CNCCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067851578 558993992 /nfs/dbraw/zinc/99/39/92/558993992.db2.gz MUTZXQSQRXOHDM-QGZVFWFLSA-N 0 1 411.483 2.378 50 0 HEAAMN O=C([C@@H]1[C@H]2C(=O)N(C3CCCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(N2CCCCC2)C1 ZINC000077485710 559006927 /nfs/dbraw/zinc/00/69/27/559006927.db2.gz PXXAQRGBGZHTIL-CIEVZJJWSA-N 0 1 413.562 2.188 50 0 HEAAMN CCCCCn1c(=O)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2[n-]c1=S ZINC000023114531 559012640 /nfs/dbraw/zinc/01/26/40/559012640.db2.gz QWUHNEUCKLZZFI-UHFFFAOYSA-N 0 1 418.563 2.328 50 0 HEAAMN CCOC(=O)[C@H](Cc1nn[nH]n1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095630442 559087739 /nfs/dbraw/zinc/08/77/39/559087739.db2.gz LYPYGRJZPLDXAI-SFHVURJKSA-N 0 1 407.430 2.213 50 0 HEAAMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccccc3NC2=O)c1 ZINC000100203897 559177194 /nfs/dbraw/zinc/17/71/94/559177194.db2.gz GMNXXRIOIFEQEK-QPXQOZNCSA-N 0 1 403.438 2.126 50 0 HEAAMN CCOc1ccc(C(=O)Nc2c(N)nc(S[C@H](CC)C(=O)OC)[nH]c2=O)cc1 ZINC000005082071 559242712 /nfs/dbraw/zinc/24/27/12/559242712.db2.gz BIVQOFSBUYBGPA-GFCCVEGCSA-N 0 1 406.464 2.047 50 0 HEAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CN4CCCC4)C3)C2=O)c1 ZINC000426487586 559271898 /nfs/dbraw/zinc/27/18/98/559271898.db2.gz TWEHNNLIMHPPHK-JOCHJYFZSA-N 0 1 403.498 2.271 50 0 HEAAMN CC(C)Cc1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n[nH]1 ZINC000252523192 559277855 /nfs/dbraw/zinc/27/78/55/559277855.db2.gz CAMFHGPSKMMGLB-CYBMUJFWSA-N 0 1 404.858 2.310 50 0 HEAAMN CC(C)Cc1n[nH]c(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000252523192 559277856 /nfs/dbraw/zinc/27/78/56/559277856.db2.gz CAMFHGPSKMMGLB-CYBMUJFWSA-N 0 1 404.858 2.310 50 0 HEAAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 ZINC000017968943 560732718 /nfs/dbraw/zinc/73/27/18/560732718.db2.gz CKNSBQHSRAPRDG-OKILXGFUSA-N 0 1 416.409 2.418 50 0 HEAAMN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000018157214 560780439 /nfs/dbraw/zinc/78/04/39/560780439.db2.gz BFYIGRNZBDMMIS-UHFFFAOYSA-N 0 1 415.471 2.178 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)[nH]c2c1 ZINC000005691294 560785902 /nfs/dbraw/zinc/78/59/02/560785902.db2.gz SUIIIYNINFQMKB-UHFFFAOYSA-N 0 1 417.491 2.340 50 0 HEAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccccc3C)c2O)C[C@@H]1c1ccccc1 ZINC000101456660 560795642 /nfs/dbraw/zinc/79/56/42/560795642.db2.gz KIMNIPHLMNSKFN-GOSISDBHSA-N 0 1 404.426 2.237 50 0 HEAAMN Cc1cc(C)cc(-n2c(O)c(C3=NN[C@H](c4ccc5c(c4)OCO5)C3)c(=O)[nH]c2=O)c1 ZINC000101763019 560800904 /nfs/dbraw/zinc/80/09/04/560800904.db2.gz XGAILSNNALYUJT-HNNXBMFYSA-N 0 1 420.425 2.016 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104168114 560849038 /nfs/dbraw/zinc/84/90/38/560849038.db2.gz NVVBORDBMCXQLB-DUBGADTFSA-N 0 1 405.495 2.098 50 0 HEAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000048332004 568439892 /nfs/dbraw/zinc/43/98/92/568439892.db2.gz ZOCBTAFRCADCIU-UXLLHSPISA-N 0 1 409.477 2.185 50 0 HEAAMN CON(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000024454647 568511861 /nfs/dbraw/zinc/51/18/61/568511861.db2.gz CZYJTRFFYACQCO-OAHLLOKOSA-N 0 1 404.492 2.133 50 0 HEAAMN Cc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)nc1 ZINC000020933114 568651769 /nfs/dbraw/zinc/65/17/69/568651769.db2.gz CSIQILVQOLLPQU-UHFFFAOYSA-N 0 1 408.439 2.382 50 0 HEAAMN CCc1ccccc1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000021154264 568673175 /nfs/dbraw/zinc/67/31/75/568673175.db2.gz HEOYUYFZBNBXNI-UHFFFAOYSA-N 0 1 405.520 2.478 50 0 HEAAMN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)no2)cn1 ZINC000096001805 568681406 /nfs/dbraw/zinc/68/14/06/568681406.db2.gz CFFFESQIJVELPF-KRWDZBQOSA-N 0 1 405.418 2.074 50 0 HEAAMN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096115315 568694825 /nfs/dbraw/zinc/69/48/25/568694825.db2.gz HWPAZKDRDPFDQE-GFCCVEGCSA-N 0 1 404.806 2.463 50 0 biogenic HEAAMN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cc(-c2ccccn2)n[nH]1 ZINC000096115536 568695272 /nfs/dbraw/zinc/69/52/72/568695272.db2.gz LLAZLYSKVNIZTA-SFHVURJKSA-N 0 1 402.414 2.281 50 0 biogenic HEAAMN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)cc1 ZINC000021534404 568711547 /nfs/dbraw/zinc/71/15/47/568711547.db2.gz HNEWKEHRELLLQS-UHFFFAOYSA-N 0 1 415.559 2.316 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1 ZINC000000857345 568713219 /nfs/dbraw/zinc/71/32/19/568713219.db2.gz DLKNBBBRTLLJSJ-UHFFFAOYSA-N 0 1 400.464 2.347 50 0 HEAAMN CN(C)c1cccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000096324838 568734568 /nfs/dbraw/zinc/73/45/68/568734568.db2.gz OFAXNHMLULSEBS-UHFFFAOYSA-N 0 1 404.474 2.136 50 0 HEAAMN CCCCN1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398479 568747318 /nfs/dbraw/zinc/74/73/18/568747318.db2.gz IHGFSISDGXSUKK-QGZVFWFLSA-N 0 1 419.591 2.270 50 0 HEAAMN COC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1cccs1 ZINC000057415929 568834053 /nfs/dbraw/zinc/83/40/53/568834053.db2.gz JYAPEIXEWVVADM-IBGZPJMESA-N 0 1 412.515 2.351 50 0 HEAAMN Nc1cc(N)nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000012526959 568843498 /nfs/dbraw/zinc/84/34/98/568843498.db2.gz BHAKBBZCIDHPGL-UHFFFAOYSA-N 0 1 401.492 2.090 50 0 HEAAMN O=C([O-])C1CCN(S(=O)(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000670436584 568874285 /nfs/dbraw/zinc/87/42/85/568874285.db2.gz PGGGDIDPKSHVBF-LJQANCHMSA-N 0 1 409.552 2.062 50 0 HEAAMN Nc1ncccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778279 568874761 /nfs/dbraw/zinc/87/47/61/568874761.db2.gz PZLLJQRCQBHBGW-FQEVSTJZSA-N 0 1 414.481 2.074 50 0 HEAAMN CC(=O)Nc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000004306519 568960577 /nfs/dbraw/zinc/96/05/77/568960577.db2.gz ZDTNBLWWNBDVRG-UHFFFAOYSA-N 0 1 404.473 2.487 50 0 HEAAMN NC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cs1 ZINC000015731443 568981830 /nfs/dbraw/zinc/98/18/30/568981830.db2.gz OIJCEHLPVWWINZ-UHFFFAOYSA-N 0 1 411.524 2.177 50 0 HEAAMN COc1ccccc1[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1 ZINC000008272229 568986399 /nfs/dbraw/zinc/98/63/99/568986399.db2.gz HLMXMAJSIWXDOP-FQEVSTJZSA-N 0 1 406.486 2.358 50 0 HEAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCN(C(=O)c2cccs2)CC1 ZINC000008394384 568998876 /nfs/dbraw/zinc/99/88/76/568998876.db2.gz UOYLNIUCZVXREG-UHFFFAOYSA-N 0 1 414.516 2.005 50 0 HEAAMN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000035431387 569037083 /nfs/dbraw/zinc/03/70/83/569037083.db2.gz DQTPQJHMIKNGAE-UHFFFAOYSA-N 0 1 414.469 2.480 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991046 569074504 /nfs/dbraw/zinc/07/45/04/569074504.db2.gz DTFKTIFFYGGZJN-GOSISDBHSA-N 0 1 406.914 2.101 50 0 HEAAMN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)C[C@@H](C)CC3 ZINC000006759646 569113201 /nfs/dbraw/zinc/11/32/01/569113201.db2.gz SCIVYYZPGYTHOB-AWEZNQCLSA-N 0 1 419.547 2.008 50 0 HEAAMN CCOc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000064969517 569137985 /nfs/dbraw/zinc/13/79/85/569137985.db2.gz RXKLTKVZUZEOKI-UHFFFAOYSA-N 0 1 402.476 2.400 50 0 HEAAMN O=S(=O)(NCCc1n[nH]c(Cc2ccc(F)cc2)n1)c1cccc2nsnc21 ZINC000064969696 569138601 /nfs/dbraw/zinc/13/86/01/569138601.db2.gz IEQWBKKLLCPAIT-UHFFFAOYSA-N 0 1 418.479 2.060 50 0 HEAAMN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccccc3F)s2)cc1 ZINC000064991648 569149096 /nfs/dbraw/zinc/14/90/96/569149096.db2.gz NJEBRCCUOUWUNV-UHFFFAOYSA-N 0 1 422.463 2.417 50 0 HEAAMN O=C(COC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc(F)cc1 ZINC000006914296 569179957 /nfs/dbraw/zinc/17/99/57/569179957.db2.gz ZZZDDCQEOKQUQE-UHFFFAOYSA-N 0 1 405.407 2.110 50 0 HEAAMN CCc1nnc(-c2cc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)cn2C)o1 ZINC000065112300 569180629 /nfs/dbraw/zinc/18/06/29/569180629.db2.gz BNIBZHJUQDKJBD-UHFFFAOYSA-N 0 1 422.463 2.464 50 0 HEAAMN O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227166 569200180 /nfs/dbraw/zinc/20/01/80/569200180.db2.gz KLYWHQUDUNQGJL-HXUWFJFHSA-N 0 1 416.529 2.416 50 0 HEAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000036596620 569201561 /nfs/dbraw/zinc/20/15/61/569201561.db2.gz OILDWJOAASVCNK-KHDYIWLOSA-N 0 1 414.462 2.383 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)cc(OC)c1)C(C)C ZINC000036594977 569204518 /nfs/dbraw/zinc/20/45/18/569204518.db2.gz QARYAASWXMKEDJ-MJGOQNOKSA-N 0 1 416.478 2.282 50 0 HEAAMN CCc1cc2c(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000014334040 569259557 /nfs/dbraw/zinc/25/95/57/569259557.db2.gz WEXRJMHALJHUPC-INIZCTEOSA-N 0 1 400.475 2.132 50 0 HEAAMN CCc1cc2c(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000014334040 569259559 /nfs/dbraw/zinc/25/95/59/569259559.db2.gz WEXRJMHALJHUPC-INIZCTEOSA-N 0 1 400.475 2.132 50 0 HEAAMN Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000007586140 569283360 /nfs/dbraw/zinc/28/33/60/569283360.db2.gz YFOMMJBEKCHYEV-GOSISDBHSA-N 0 1 408.531 2.454 50 0 HEAAMN Cc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000007587695 569283473 /nfs/dbraw/zinc/28/34/73/569283473.db2.gz ZCFFJTQYCYTNMU-SFHVURJKSA-N 0 1 408.531 2.454 50 0 HEAAMN COc1cc(CCC(=O)N2CCOC[C@H]2c2nnc[nH]2)ccc1OCC(F)(F)F ZINC000253416774 569367263 /nfs/dbraw/zinc/36/72/63/569367263.db2.gz XKWMOJWAOMAKFV-ZDUSSCGKSA-N 0 1 414.384 2.287 50 0 HEAAMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN([C@H]2CCSC2)CC1 ZINC000079025732 569424780 /nfs/dbraw/zinc/42/47/80/569424780.db2.gz OZIIFTIQZAMOMG-HKUYNNGSSA-N 0 1 418.607 2.158 50 0 HEAAMN CCOc1cc([C@H]2NC(=O)N=C(CN3CCCCCC3)C2C(=O)OC)ccc1O ZINC000067285648 571063961 /nfs/dbraw/zinc/06/39/61/571063961.db2.gz LWWDKJOMCORCBH-LJQANCHMSA-N 0 1 403.479 2.448 50 0 HEAAMN CCOc1cc([C@H]2NC(=O)NC(CN3CCCCCC3)=C2C(=O)OC)ccc1O ZINC000067285648 571063964 /nfs/dbraw/zinc/06/39/64/571063964.db2.gz LWWDKJOMCORCBH-LJQANCHMSA-N 0 1 403.479 2.448 50 0 HEAAMN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccsc1)N1CCCC1 ZINC000008864241 571128992 /nfs/dbraw/zinc/12/89/92/571128992.db2.gz YFWCOXOACUKARO-MRXNPFEDSA-N 0 1 401.488 2.046 50 0 HEAAMN COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)sc1C ZINC000095476005 571307211 /nfs/dbraw/zinc/30/72/11/571307211.db2.gz FYOAJPVVJRMYGN-UHFFFAOYSA-N 0 1 402.432 2.898 50 0 HEAAMN COc1ccc(C(=O)N2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803341 1078780089 /nfs/dbraw/zinc/78/00/89/1078780089.db2.gz UXNPXTRHVIYYIU-FQEVSTJZSA-N 0 1 415.534 2.355 50 0 HEAAMN Cc1noc(C)c1S(=O)(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000581794372 1078776535 /nfs/dbraw/zinc/77/65/35/1078776535.db2.gz CFJOVLOCJPGITI-UHFFFAOYSA-N 0 1 405.520 2.346 50 0 HEAAMN O=C1[C@H]2CCCN2C(=O)N1CCCN1CCN(c2cccc(Br)c2)CC1 ZINC000000633296 132229510 /nfs/dbraw/zinc/22/95/10/132229510.db2.gz FLFUCNSCWFDBOS-QGZVFWFLSA-N 0 1 421.339 2.388 50 0 HEAAMN CN(CCc1nc2ccc(F)cc2[nH]1)c1nc2nonc2nc1N1CCSCC1 ZINC000011819287 132351120 /nfs/dbraw/zinc/35/11/20/132351120.db2.gz WGMYMQQMDZIVHP-UHFFFAOYSA-N 0 1 414.470 2.260 50 0 HEAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000020565849 518706138 /nfs/dbraw/zinc/70/61/38/518706138.db2.gz FSDWEORXXPPLQB-FLFXDLLNSA-N 0 1 419.481 2.154 50 0 HEAAMN CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C)cc1 ZINC000045944934 519440252 /nfs/dbraw/zinc/44/02/52/519440252.db2.gz RQNFEXMFVBCSKG-UHFFFAOYSA-N 0 1 409.596 2.354 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000020566498 520562564 /nfs/dbraw/zinc/56/25/64/520562564.db2.gz ILADSGPWFWVNAD-MTXNFPGFSA-N 0 1 419.481 2.155 50 0 HEAAMN CCOC(=O)C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000020532082 520887628 /nfs/dbraw/zinc/88/76/28/520887628.db2.gz VKPOLAYMRWORLN-FQEVSTJZSA-N 0 1 403.523 2.435 50 0 HEAAMN CCn1c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2[nH]c(=O)c1=O ZINC000032761472 523261507 /nfs/dbraw/zinc/26/15/07/523261507.db2.gz GYKSKLTZCWNQGI-KRWDZBQOSA-N 0 1 412.515 2.338 50 0 HEAAMN COc1ccc(-n2ccnc2SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000024097253 523337932 /nfs/dbraw/zinc/33/79/32/523337932.db2.gz QHTWSCAZMPHRQK-LJQANCHMSA-N 0 1 418.563 2.446 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766371 523920679 /nfs/dbraw/zinc/92/06/79/523920679.db2.gz MBUKTGCRSUEHSS-GOSISDBHSA-N 0 1 420.966 2.123 50 0 HEAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@@H](C)O1 ZINC000032830656 524995361 /nfs/dbraw/zinc/99/53/61/524995361.db2.gz RVNYSBFMEVJLKN-HUUCEWRRSA-N 0 1 412.515 2.295 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1F ZINC000022766296 525004521 /nfs/dbraw/zinc/00/45/21/525004521.db2.gz YWPYRKSHAQZCAO-SFHVURJKSA-N 0 1 404.511 2.239 50 0 HEAAMN Cc1ccc(OC[C@H](O)CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000032900881 525436527 /nfs/dbraw/zinc/43/65/27/525436527.db2.gz FBZZWNOSHPCWKG-HXUWFJFHSA-N 0 1 418.559 2.486 50 0 HEAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)COC ZINC000034831265 557466652 /nfs/dbraw/zinc/46/66/52/557466652.db2.gz RAEISPIACWKIDM-UHFFFAOYSA-N 0 1 417.529 2.457 50 0 HEAAMN CCC(=O)N(CCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034831273 557466722 /nfs/dbraw/zinc/46/67/22/557466722.db2.gz UECMNCOCHMQYQV-UHFFFAOYSA-N 0 1 417.529 2.457 50 0 HEAAMN COc1ccc(Br)cc1CN1CCC[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000004744851 557591711 /nfs/dbraw/zinc/59/17/11/557591711.db2.gz UEMHXSNZQCJLMS-HNNXBMFYSA-N 0 1 410.356 2.444 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1F ZINC000022767168 557815019 /nfs/dbraw/zinc/81/50/19/557815019.db2.gz ONXKTIRUMYLLQL-QGZVFWFLSA-N 0 1 413.540 2.163 50 0 HEAAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022796124 557823084 /nfs/dbraw/zinc/82/30/84/557823084.db2.gz WNYBUMOVALHFQG-FQEVSTJZSA-N 0 1 412.509 2.486 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)[nH]c2c1 ZINC000009290326 557834793 /nfs/dbraw/zinc/83/47/93/557834793.db2.gz XLRDPNRASDVCOX-UHFFFAOYSA-N 0 1 424.533 2.121 50 0 HEAAMN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000011909063 558296121 /nfs/dbraw/zinc/29/61/21/558296121.db2.gz HAUOZJMNEZPXKP-SFHVURJKSA-N 0 1 413.522 2.331 50 0 HEAAMN Cc1c(C(=O)NC2CC2)sc2ncnc(N3CCC(N4CCOCC4)CC3)c12 ZINC000019882601 558301473 /nfs/dbraw/zinc/30/14/73/558301473.db2.gz CQNSORKUCGPPTN-UHFFFAOYSA-N 0 1 401.536 2.193 50 0 HEAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517774 558383084 /nfs/dbraw/zinc/38/30/84/558383084.db2.gz KRMINIISJISQMD-GRXQJBFDSA-N 0 1 417.506 2.242 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N3)cc1 ZINC000020746066 558411252 /nfs/dbraw/zinc/41/12/52/558411252.db2.gz QWSGABYPABRJEG-INIZCTEOSA-N 0 1 423.429 2.493 50 0 HEAAMN CCOc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020775342 558411908 /nfs/dbraw/zinc/41/19/08/558411908.db2.gz NGHAKIOBWCEXFQ-UHFFFAOYSA-N 0 1 409.490 2.301 50 0 HEAAMN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)CC1=O ZINC000022509234 558492686 /nfs/dbraw/zinc/49/26/86/558492686.db2.gz GKICOBVEZQGEEJ-GOSISDBHSA-N 0 1 407.518 2.387 50 0 HEAAMN COC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566235 558541021 /nfs/dbraw/zinc/54/10/21/558541021.db2.gz HPQPUHWWPCAXES-LAPQFRIASA-N 0 1 417.506 2.463 50 0 HEAAMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566235 558541024 /nfs/dbraw/zinc/54/10/24/558541024.db2.gz HPQPUHWWPCAXES-LAPQFRIASA-N 0 1 417.506 2.463 50 0 HEAAMN CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000023240062 558544767 /nfs/dbraw/zinc/54/47/67/558544767.db2.gz HPYULEWSFNSJGW-NHCUHLMSSA-N 0 1 419.566 2.313 50 0 HEAAMN CCC(=O)N1N/C(=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)C[C@H]1c1cccs1 ZINC000013591380 558546207 /nfs/dbraw/zinc/54/62/07/558546207.db2.gz MNSDUYMGXCQADP-LSVCFVEQSA-N 0 1 424.482 2.469 50 0 HEAAMN CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccccc4F)CC3)cn2)CC1 ZINC000026284693 558658339 /nfs/dbraw/zinc/65/83/39/558658339.db2.gz PDAIGIGEZSNVBM-UHFFFAOYSA-N 0 1 412.513 2.004 50 0 HEAAMN CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000026392763 558660161 /nfs/dbraw/zinc/66/01/61/558660161.db2.gz YYPKGNGEBFVJRF-SFHVURJKSA-N 0 1 422.576 2.067 50 0 HEAAMN CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033085 558857232 /nfs/dbraw/zinc/85/72/32/558857232.db2.gz SMVYGFXUTQSHOQ-UHFFFAOYSA-N 0 1 422.938 2.252 50 0 HEAAMN CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033943 558858115 /nfs/dbraw/zinc/85/81/15/558858115.db2.gz MSQVAVQUIFBYOL-MRXNPFEDSA-N 0 1 416.547 2.425 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)c1 ZINC000060349333 558860083 /nfs/dbraw/zinc/86/00/83/558860083.db2.gz IOXKZHNAAZELLX-GOSISDBHSA-N 0 1 415.471 2.348 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010656942 558886326 /nfs/dbraw/zinc/88/63/26/558886326.db2.gz KLUSKXLVDKOWEF-UHFFFAOYSA-N 0 1 415.475 2.089 50 0 HEAAMN NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1F ZINC000058175530 558909470 /nfs/dbraw/zinc/90/94/70/558909470.db2.gz CPXIKJWFUJDEKR-LBPRGKRZSA-N 0 1 415.487 2.241 50 0 HEAAMN O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)N1CCCOCC1 ZINC000072161427 558930259 /nfs/dbraw/zinc/93/02/59/558930259.db2.gz CXIBCBYXSFYUEJ-HSZRJFAPSA-N 0 1 421.541 2.258 50 0 HEAAMN Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCOCC2)n1 ZINC000064799900 558965805 /nfs/dbraw/zinc/96/58/05/558965805.db2.gz FOWOJVIAXDPDGK-UHFFFAOYSA-N 0 1 419.888 2.377 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc(N2CCCC2)n1 ZINC000064800375 558966078 /nfs/dbraw/zinc/96/60/78/558966078.db2.gz AXNAPVRLTXANIN-UHFFFAOYSA-N 0 1 410.478 2.468 50 0 HEAAMN O=C(CSc1nnnn1-c1cccc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023078418 558999286 /nfs/dbraw/zinc/99/92/86/558999286.db2.gz QASJBMBZGJQBMB-QGZVFWFLSA-N 0 1 412.494 2.284 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000095503016 559082637 /nfs/dbraw/zinc/08/26/37/559082637.db2.gz AOLZLDNRIWOGGG-UHFFFAOYSA-N 0 1 402.882 2.226 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(F)c(C)c1)CC2 ZINC000095504736 559082980 /nfs/dbraw/zinc/08/29/80/559082980.db2.gz KIEIFWPZFNRSSA-UHFFFAOYSA-N 0 1 400.454 2.020 50 0 HEAAMN O=C(c1ncc(F)cc1F)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095523166 559085624 /nfs/dbraw/zinc/08/56/24/559085624.db2.gz FRAMPTBTHXVKNA-UHFFFAOYSA-N 0 1 401.417 2.009 50 0 HEAAMN COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000205946208 559177698 /nfs/dbraw/zinc/17/76/98/559177698.db2.gz ATBAGUATCPSCAJ-ZDUSSCGKSA-N 0 1 414.414 2.121 50 0 HEAAMN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)nc2ccccn2c1=O ZINC000205949078 559177915 /nfs/dbraw/zinc/17/79/15/559177915.db2.gz JUHLNHSUWNUIFC-ZDUSSCGKSA-N 0 1 414.414 2.121 50 0 HEAAMN COc1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005075756 559240841 /nfs/dbraw/zinc/24/08/41/559240841.db2.gz USSUPFONNKUPCQ-UHFFFAOYSA-N 0 1 400.453 2.175 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000005075752 559240897 /nfs/dbraw/zinc/24/08/97/559240897.db2.gz ZNERJVBKBIJRIM-UHFFFAOYSA-N 0 1 412.489 2.045 50 0 HEAAMN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1 ZINC000011906375 559266746 /nfs/dbraw/zinc/26/67/46/559266746.db2.gz WRNQNEWBSCJKSM-UHFFFAOYSA-N 0 1 417.468 2.102 50 0 HEAAMN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000005573199 560624060 /nfs/dbraw/zinc/62/40/60/560624060.db2.gz WWXIXCCJJQOMBG-LBPRGKRZSA-N 0 1 419.459 2.201 50 0 HEAAMN CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)=NN1 ZINC000101762848 560800836 /nfs/dbraw/zinc/80/08/36/560800836.db2.gz IGLMVHDQEAYAMY-AWEZNQCLSA-N 0 1 422.441 2.077 50 0 HEAAMN O=C(NCCc1ccccc1F)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000048341804 568440502 /nfs/dbraw/zinc/44/05/02/568440502.db2.gz SROFLLUMVVLROS-UHFFFAOYSA-N 0 1 423.488 2.493 50 0 HEAAMN C[C@H](Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020979131 568460837 /nfs/dbraw/zinc/46/08/37/568460837.db2.gz OIBPNFMOFNHRQG-LBPRGKRZSA-N 0 1 418.504 2.130 50 0 HEAAMN COc1ccc(CCc2nc(NC(=O)c3nn(C)c(=O)c4ccccc43)n[nH]2)cc1 ZINC000095475878 568629931 /nfs/dbraw/zinc/62/99/31/568629931.db2.gz LGIKVJVPCANGDH-UHFFFAOYSA-N 0 1 404.430 2.098 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3nn(C)c(=O)c4ccccc43)n2)cc1 ZINC000095475878 568629933 /nfs/dbraw/zinc/62/99/33/568629933.db2.gz LGIKVJVPCANGDH-UHFFFAOYSA-N 0 1 404.430 2.098 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC)C(C)C ZINC000020762504 568642744 /nfs/dbraw/zinc/64/27/44/568642744.db2.gz PEIDLQFGFLMYJF-FUHWJXTLSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1OC(C)=O ZINC000058563753 568699821 /nfs/dbraw/zinc/69/98/21/568699821.db2.gz JSZILQVIPPROJI-QRVBRYPASA-N 0 1 404.507 2.423 50 0 world HEAAMN COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324911 568734650 /nfs/dbraw/zinc/73/46/50/568734650.db2.gz WUATVBBBIVFLBF-UHFFFAOYSA-N 0 1 421.457 2.087 50 0 HEAAMN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324856 568734679 /nfs/dbraw/zinc/73/46/79/568734679.db2.gz HCKGESSLDIVDQD-UHFFFAOYSA-N 0 1 405.458 2.469 50 0 HEAAMN CN(C)CCCN(C(=O)c1csc(-c2ccsc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000096989737 568765861 /nfs/dbraw/zinc/76/58/61/568765861.db2.gz KACDSJXHGLNQPL-CQSZACIVSA-N 0 1 413.590 2.453 50 0 HEAAMN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022579303 568770378 /nfs/dbraw/zinc/77/03/78/568770378.db2.gz AARUJRSMYJBZAV-IBGZPJMESA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCN(C)CC2)cc1 ZINC000022579186 568770412 /nfs/dbraw/zinc/77/04/12/568770412.db2.gz QCLOFFCDCGPWMJ-QFIPXVFZSA-N 0 1 424.545 2.355 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCN(C)CC2)cc1 ZINC000022582718 568770603 /nfs/dbraw/zinc/77/06/03/568770603.db2.gz BMGPCODSKBJDDQ-HXUWFJFHSA-N 0 1 416.472 2.317 50 0 HEAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000230078756 568831600 /nfs/dbraw/zinc/83/16/00/568831600.db2.gz QHZKNAZWHFFRKC-RCZVLFRGSA-N 0 1 412.493 2.354 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414280 568833342 /nfs/dbraw/zinc/83/33/42/568833342.db2.gz MYCGFDSLFMQSER-NRFANRHFSA-N 0 1 424.476 2.429 50 0 HEAAMN Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Br)c1 ZINC000012526146 568843039 /nfs/dbraw/zinc/84/30/39/568843039.db2.gz JFFLLVMEXROJRK-UHFFFAOYSA-N 0 1 405.295 2.206 50 0 HEAAMN COc1ccc(NC(=O)C2=COCCO2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012548624 568851609 /nfs/dbraw/zinc/85/16/09/568851609.db2.gz NCEDUOBIOHGGSH-UHFFFAOYSA-N 0 1 408.407 2.462 50 0 HEAAMN Cc1ccc(C)c(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000299758538 568872858 /nfs/dbraw/zinc/87/28/58/568872858.db2.gz JWUDLSSPKDWBHW-VXKWHMMOSA-N 0 1 404.518 2.464 50 0 HEAAMN CCOC(=O)C1C(COC(=O)Cc2ccc(O)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000084792442 568959667 /nfs/dbraw/zinc/95/96/67/568959667.db2.gz KPBOXGKWIIWDCV-FQEVSTJZSA-N 0 1 410.426 2.349 50 0 HEAAMN O=S(=O)(c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)nc1)N1CCOCC1 ZINC000008063502 568971186 /nfs/dbraw/zinc/97/11/86/568971186.db2.gz ZVZUUAKFKKQPBL-SFHVURJKSA-N 0 1 420.535 2.335 50 0 HEAAMN COc1cccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)c1 ZINC000008210347 568982760 /nfs/dbraw/zinc/98/27/60/568982760.db2.gz METHDHWPHKGSJL-KRWDZBQOSA-N 0 1 408.483 2.460 50 0 HEAAMN Cc1cccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)c1 ZINC000015862702 569015969 /nfs/dbraw/zinc/01/59/69/569015969.db2.gz ZWZQHZFEHXBLLP-UHFFFAOYSA-N 0 1 401.532 2.008 50 0 HEAAMN CSCC[C@H]1N[C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015957341 569024645 /nfs/dbraw/zinc/02/46/45/569024645.db2.gz HGEBMVUMLBLGLT-QSNWEANLSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000022077479 569042507 /nfs/dbraw/zinc/04/25/07/569042507.db2.gz LZJPRBUYHCLOCZ-UXHICEINSA-N 0 1 402.466 2.165 50 0 HEAAMN Nc1cccc(CN[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000215672025 569051909 /nfs/dbraw/zinc/05/19/09/569051909.db2.gz SOGBCPRENAOXIB-HNNXBMFYSA-N 0 1 421.238 2.295 50 0 HEAAMN Cc1cccc(C)c1N1CCN(CCCNC(=O)c2nc(-c3ccncn3)no2)CC1 ZINC000064459818 569063062 /nfs/dbraw/zinc/06/30/62/569063062.db2.gz SFLDEDNMXAJXES-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN O=C(c1cnn(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1)c1ccccc1O ZINC000006553005 569065524 /nfs/dbraw/zinc/06/55/24/569065524.db2.gz SPAUTOWJHIHGQX-UHFFFAOYSA-N 0 1 400.394 2.164 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991548 569074593 /nfs/dbraw/zinc/07/45/93/569074593.db2.gz ZLVNPFMNTZHEAA-FQEVSTJZSA-N 0 1 418.513 2.367 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991549 569074695 /nfs/dbraw/zinc/07/46/95/569074695.db2.gz ZLVNPFMNTZHEAA-HXUWFJFHSA-N 0 1 418.513 2.367 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000064946869 569128523 /nfs/dbraw/zinc/12/85/23/569128523.db2.gz YOHAVGBZBFNECF-UHFFFAOYSA-N 0 1 416.415 2.144 50 0 HEAAMN O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227168 569200203 /nfs/dbraw/zinc/20/02/03/569200203.db2.gz KLYWHQUDUNQGJL-FQEVSTJZSA-N 0 1 416.529 2.416 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)N2CCCC2)o1 ZINC000252538109 569293193 /nfs/dbraw/zinc/29/31/93/569293193.db2.gz MSBMEALNMAWFCD-NYVOZVTQSA-N 0 1 411.502 2.440 50 0 HEAAMN Nc1c(NC[C@H](c2ccco2)N2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000007737466 569304857 /nfs/dbraw/zinc/30/48/57/569304857.db2.gz RFVBEXXBFARRII-QGZVFWFLSA-N 0 1 409.490 2.399 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 ZINC000040087005 571157664 /nfs/dbraw/zinc/15/76/64/571157664.db2.gz UYRFDUQJWXPJAK-UHFFFAOYSA-N 0 1 420.513 2.395 50 0 HEAAMN O=C([C@H]1CCCO1)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244983835 571211333 /nfs/dbraw/zinc/21/13/33/571211333.db2.gz ISRXKEHCIJUSTB-QGZVFWFLSA-N 0 1 412.456 2.392 50 0 HEAAMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000009246608 571241473 /nfs/dbraw/zinc/24/14/73/571241473.db2.gz RZDCSWILDKNAAN-UHFFFAOYSA-N 0 1 414.464 2.346 50 0 HEAAMN COc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000009329600 571248520 /nfs/dbraw/zinc/24/85/20/571248520.db2.gz HEIQAAVHMUZPEJ-HXUWFJFHSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN O=S(=O)(Cc1ccccc1F)N1CC[C@@H](Cc2nc(-c3ccncc3)n[nH]2)C1 ZINC000575541763 1076333686 /nfs/dbraw/zinc/33/36/86/1076333686.db2.gz LAMAHBRDUIOCET-AWEZNQCLSA-N 0 1 401.467 2.400 50 0 HEAAMN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012764088 132366827 /nfs/dbraw/zinc/36/68/27/132366827.db2.gz KZRZQRJGODMMEF-HXUWFJFHSA-N 0 1 413.497 2.366 50 0 HEAAMN CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000032745092 520528927 /nfs/dbraw/zinc/52/89/27/520528927.db2.gz GJEGOHFEIHKKJQ-LJQANCHMSA-N 0 1 404.426 2.268 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548943 520562989 /nfs/dbraw/zinc/56/29/89/520562989.db2.gz MURBGNLIIHCKGI-KSVNGYGVSA-N 0 1 405.495 2.099 50 0 HEAAMN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000031812293 522166269 /nfs/dbraw/zinc/16/62/69/522166269.db2.gz ORDOSZASDPHHBH-ZDUSSCGKSA-N 0 1 403.402 2.108 50 0 HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000032124004 523910100 /nfs/dbraw/zinc/91/01/00/523910100.db2.gz PFWFDYWHPFKBKC-ICSRJNTNSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN COc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000032795854 524026744 /nfs/dbraw/zinc/02/67/44/524026744.db2.gz NHUZJSYMSCPVRM-HXUWFJFHSA-N 0 1 409.534 2.436 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)c(C)c1 ZINC000045944097 524313923 /nfs/dbraw/zinc/31/39/23/524313923.db2.gz DFTPQCBKLGPUBC-UHFFFAOYSA-N 0 1 407.580 2.367 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1F ZINC000022766299 525006458 /nfs/dbraw/zinc/00/64/58/525006458.db2.gz YWPYRKSHAQZCAO-GOSISDBHSA-N 0 1 404.511 2.239 50 0 HEAAMN CSc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000020599374 525994379 /nfs/dbraw/zinc/99/43/79/525994379.db2.gz VRJIATHCCNNEKI-UHFFFAOYSA-N 0 1 422.558 2.426 50 0 HEAAMN Cc1ccc2[nH]c3c(cnn(CC(=O)NCCN4CCc5ccccc5C4)c3=O)c2c1 ZINC000020574545 526110370 /nfs/dbraw/zinc/11/03/70/526110370.db2.gz DMPIENDBXZDEEY-UHFFFAOYSA-N 0 1 415.497 2.361 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)n1 ZINC000009620932 535521201 /nfs/dbraw/zinc/52/12/01/535521201.db2.gz YLGCWGITDUFARR-UHFFFAOYSA-N 0 1 419.551 2.353 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)n1 ZINC000009620940 535521451 /nfs/dbraw/zinc/52/14/51/535521451.db2.gz IVVRFLHIJSWWJG-UHFFFAOYSA-N 0 1 419.551 2.353 50 0 HEAAMN COc1ccc([C@H](CNC(=O)c2cc(N3CCOCC3)ccn2)N2CCCC2)cc1 ZINC000008704897 536916500 /nfs/dbraw/zinc/91/65/00/536916500.db2.gz SAFGPPUJONQZSD-QFIPXVFZSA-N 0 1 410.518 2.494 50 0 HEAAMN NC(=O)C1CCN([C@H]2CC(=O)N(CC(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000001457228 557267971 /nfs/dbraw/zinc/26/79/71/557267971.db2.gz MWMRGONOZSUUKA-NRFANRHFSA-N 0 1 405.498 2.143 50 0 HEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677375 557364787 /nfs/dbraw/zinc/36/47/87/557364787.db2.gz YMERVXHWUVWPIB-LJQANCHMSA-N 0 1 418.513 2.412 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCN(C)CC2)cc1 ZINC000022796564 557823305 /nfs/dbraw/zinc/82/33/05/557823305.db2.gz SZIUWQBXUNNKOM-JOCHJYFZSA-N 0 1 412.578 2.406 50 0 HEAAMN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000011783705 558275390 /nfs/dbraw/zinc/27/53/90/558275390.db2.gz FMIBJLHHPKLYGD-OAHLLOKOSA-N 0 1 407.474 2.355 50 0 HEAAMN NC(=O)C1(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000011840508 558286752 /nfs/dbraw/zinc/28/67/52/558286752.db2.gz RAYHCMJAZWCGLZ-LJQANCHMSA-N 0 1 417.525 2.311 50 0 HEAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000011935921 558300052 /nfs/dbraw/zinc/30/00/52/558300052.db2.gz JVOZAENWUDCKLX-UHFFFAOYSA-N 0 1 416.917 2.237 50 0 HEAAMN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2 ZINC000011965902 558304257 /nfs/dbraw/zinc/30/42/57/558304257.db2.gz VBFARSRRFPKORQ-LJQANCHMSA-N 0 1 415.538 2.195 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000020716870 558401623 /nfs/dbraw/zinc/40/16/23/558401623.db2.gz HSKBABXSBWVVDI-HNAYVOBHSA-N 0 1 402.472 2.344 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C ZINC000020785651 558413805 /nfs/dbraw/zinc/41/38/05/558413805.db2.gz XABNFZSALBXSDV-HNNXBMFYSA-N 0 1 413.522 2.249 50 0 HEAAMN COc1ccc(-c2nn(CN3CCN(C)CC3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC000022037068 558459324 /nfs/dbraw/zinc/45/93/24/558459324.db2.gz NVDDDUBLQDIDPK-GOSISDBHSA-N 0 1 403.552 2.474 50 0 HEAAMN CCN1CCN(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)CC1 ZINC000022919799 558522691 /nfs/dbraw/zinc/52/26/91/558522691.db2.gz JGSIRIBRAQVNPR-SFHVURJKSA-N 0 1 403.477 2.282 50 0 HEAAMN Cc1ccccc1CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000023805084 558576426 /nfs/dbraw/zinc/57/64/26/558576426.db2.gz IOLDNSDMDXXMOF-UHFFFAOYSA-N 0 1 400.548 2.497 50 0 HEAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000024576134 558601607 /nfs/dbraw/zinc/60/16/07/558601607.db2.gz LVOXVYCVVUASQC-UHFFFAOYSA-N 0 1 405.457 2.473 50 0 HEAAMN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014240363 558643215 /nfs/dbraw/zinc/64/32/15/558643215.db2.gz GNCSSHFMUIZAOP-JOCHJYFZSA-N 0 1 409.534 2.155 50 0 HEAAMN Cn1c(CCC(=O)NCC2(N3CCOCC3)CCCCC2)nc2ccccc2c1=O ZINC000014254242 558651004 /nfs/dbraw/zinc/65/10/04/558651004.db2.gz RSBFKBTYUVPMIC-UHFFFAOYSA-N 0 1 412.534 2.017 50 0 HEAAMN Cc1cc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742467 558667642 /nfs/dbraw/zinc/66/76/42/558667642.db2.gz VETCHLBDLAVQKF-KRWDZBQOSA-N 0 1 415.538 2.297 50 0 HEAAMN CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3nc(-c4ccc(F)cc4)cs3)CN2C1=O ZINC000014744974 558668697 /nfs/dbraw/zinc/66/86/97/558668697.db2.gz TWRFPGSADDNMCU-ZOBUZTSGSA-N 0 1 402.495 2.307 50 0 HEAAMN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014748937 558670223 /nfs/dbraw/zinc/67/02/23/558670223.db2.gz OYZWIGQZANYVNE-UHFFFAOYSA-N 0 1 423.517 2.312 50 0 HEAAMN CCOc1cccc(CNCCNC(=O)c2nonc2N)c1OCc1cccs1 ZINC000015356873 558735581 /nfs/dbraw/zinc/73/55/81/558735581.db2.gz XPYBCQNDWXFHBO-UHFFFAOYSA-N 0 1 417.491 2.211 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022147 558767903 /nfs/dbraw/zinc/76/79/03/558767903.db2.gz MURBGNLIIHCKGI-DICRZQGBSA-N 0 1 405.495 2.099 50 0 HEAAMN O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000016489414 558794394 /nfs/dbraw/zinc/79/43/94/558794394.db2.gz WKFLMIZEUBSDRW-UHFFFAOYSA-N 0 1 423.922 2.203 50 0 HEAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016699017 558801258 /nfs/dbraw/zinc/80/12/58/558801258.db2.gz AUAHBVQNGCBQOO-VQIMIIECSA-N 0 1 407.474 2.216 50 0 HEAAMN COc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000033032562 558856781 /nfs/dbraw/zinc/85/67/81/558856781.db2.gz WZBDLEBCUROBJF-UHFFFAOYSA-N 0 1 403.429 2.048 50 0 HEAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033205 558857593 /nfs/dbraw/zinc/85/75/93/558857593.db2.gz ROOIATCOJJEUSL-UHFFFAOYSA-N 0 1 416.547 2.216 50 0 HEAAMN CCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033034129 558858258 /nfs/dbraw/zinc/85/82/58/558858258.db2.gz SQFIEOCDMKPAQG-UHFFFAOYSA-N 0 1 422.938 2.300 50 0 HEAAMN CCN1CCN(c2ccccc2NC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000058129406 558900428 /nfs/dbraw/zinc/90/04/28/558900428.db2.gz ILVHMIDTEKCHKO-UHFFFAOYSA-N 0 1 424.549 2.382 50 0 HEAAMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000058191627 558910739 /nfs/dbraw/zinc/91/07/39/558910739.db2.gz BRZPYTPWBACBGQ-UHFFFAOYSA-N 0 1 402.545 2.459 50 0 HEAAMN COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O ZINC000058438423 558927127 /nfs/dbraw/zinc/92/71/27/558927127.db2.gz OCRRIJBMDVLULK-QGZVFWFLSA-N 0 1 408.502 2.439 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000065361913 558972546 /nfs/dbraw/zinc/97/25/46/558972546.db2.gz ORRGODMTBXCXSL-UHFFFAOYSA-N 0 1 401.536 2.037 50 0 HEAAMN C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000065363868 558974999 /nfs/dbraw/zinc/97/49/99/558974999.db2.gz GJWUXMMCCONZTN-KRWDZBQOSA-N 0 1 416.547 2.232 50 0 HEAAMN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000060241048 559053926 /nfs/dbraw/zinc/05/39/26/559053926.db2.gz DRFYHINRWROCOJ-CQSZACIVSA-N 0 1 415.494 2.056 50 0 HEAAMN O=C([O-])CC[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095383608 559080750 /nfs/dbraw/zinc/08/07/50/559080750.db2.gz ZDVNGVQLYJPWIB-MOPGFXCFSA-N 0 1 402.491 2.064 50 0 HEAAMN O=C(c1nc2ccccc2[nH]1)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095520784 559085216 /nfs/dbraw/zinc/08/52/16/559085216.db2.gz BYEGYTMCMSGTPZ-UHFFFAOYSA-N 0 1 404.474 2.212 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000096210271 559101515 /nfs/dbraw/zinc/10/15/15/559101515.db2.gz PWCPKZYLYDEXEH-GOSISDBHSA-N 0 1 406.552 2.289 50 0 HEAAMN COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)=NN1 ZINC000101763032 560800829 /nfs/dbraw/zinc/80/08/29/560800829.db2.gz QYWGUNIATTXNSA-MRXNPFEDSA-N 0 1 406.442 2.296 50 0 HEAAMN Cc1cn2c3c(nc2n1-c1ccccc1C)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000005705561 560802931 /nfs/dbraw/zinc/80/29/31/560802931.db2.gz VQODOTUIOASJQS-UHFFFAOYSA-N 0 1 420.517 2.241 50 0 HEAAMN Cc1csc(NC(=O)C2CCN([C@H](C)C(=O)NC(=O)NC3CCCC3)CC2)n1 ZINC000047264172 560885476 /nfs/dbraw/zinc/88/54/76/560885476.db2.gz VHFGLWUYENLEHY-CYBMUJFWSA-N 0 1 407.540 2.259 50 0 HEAAMN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000048275664 568435445 /nfs/dbraw/zinc/43/54/45/568435445.db2.gz PKKLOVRVTFARJH-RDTXWAMCSA-N 0 1 407.561 2.280 50 0 HEAAMN CSCC[C@@H]1N[C@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020611650 568637651 /nfs/dbraw/zinc/63/76/51/568637651.db2.gz FRCWUYJLWKGFRZ-DVSDUFGPSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC ZINC000020761239 568642411 /nfs/dbraw/zinc/64/24/11/568642411.db2.gz BCRJAWIOWBIOSP-MAUKXSAKSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1 ZINC000020761813 568642463 /nfs/dbraw/zinc/64/24/63/568642463.db2.gz AGGDSGDVZDJODM-AZUAARDMSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)cc(OC)c1)C(C)C ZINC000020762693 568642609 /nfs/dbraw/zinc/64/26/09/568642609.db2.gz QARYAASWXMKEDJ-HKUYNNGSSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN CC1CCN([C@H](CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000229721493 568715193 /nfs/dbraw/zinc/71/51/93/568715193.db2.gz KDAZBDVCQPRDMJ-YESZJQIVSA-N 0 1 401.598 2.465 50 0 HEAAMN CCCCN1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398480 568747425 /nfs/dbraw/zinc/74/74/25/568747425.db2.gz IHGFSISDGXSUKK-KRWDZBQOSA-N 0 1 419.591 2.270 50 0 HEAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2)N2CCN(C)CC2)cc1 ZINC000022579747 568770736 /nfs/dbraw/zinc/77/07/36/568770736.db2.gz XMJDRFWTOVLDCJ-FQEVSTJZSA-N 0 1 413.518 2.431 50 0 HEAAMN COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000022582776 568770751 /nfs/dbraw/zinc/77/07/51/568770751.db2.gz HPDSIYNVLKOPEJ-HXUWFJFHSA-N 0 1 410.518 2.047 50 0 HEAAMN CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582858 568770996 /nfs/dbraw/zinc/77/09/96/568770996.db2.gz OOJPWIUEDBXIRV-JOCHJYFZSA-N 0 1 424.545 2.437 50 0 HEAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCC(N)=O)=N2 ZINC000001399034 568926030 /nfs/dbraw/zinc/92/60/30/568926030.db2.gz JWHOTLIOQSNCTG-HNNXBMFYSA-N 0 1 424.482 2.124 50 0 HEAAMN CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cn1C ZINC000031668007 568929068 /nfs/dbraw/zinc/92/90/68/568929068.db2.gz WDYHZYWAQMVRRJ-UHFFFAOYSA-N 0 1 402.432 2.031 50 0 HEAAMN CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1Cl ZINC000012772038 568952236 /nfs/dbraw/zinc/95/22/36/568952236.db2.gz URXXOOMUECZFLP-MRXNPFEDSA-N 0 1 413.902 2.420 50 0 HEAAMN CC[C@H](C)N(C(=O)CSc1nc2ccc(OC)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000004273846 568957784 /nfs/dbraw/zinc/95/77/84/568957784.db2.gz VRMIWIQZSKOJOT-QWHCGFSZSA-N 0 1 411.549 2.478 50 0 HEAAMN CC[C@@H](C)N(C(=O)CSc1nc2ccc(OC)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000004273855 568957810 /nfs/dbraw/zinc/95/78/10/568957810.db2.gz VRMIWIQZSKOJOT-OLZOCXBDSA-N 0 1 411.549 2.478 50 0 HEAAMN Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)C)CC2)c1 ZINC000004316442 568962205 /nfs/dbraw/zinc/96/22/05/568962205.db2.gz UFHKMURMADVCBK-UHFFFAOYSA-N 0 1 424.549 2.018 50 0 HEAAMN O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC(c1ccccc1F)=N2)N1CCCCC1 ZINC000015682386 568968677 /nfs/dbraw/zinc/96/86/77/568968677.db2.gz IMJVQWDAFCRQGR-UHFFFAOYSA-N 0 1 423.491 2.371 50 0 HEAAMN COc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000012801392 568979049 /nfs/dbraw/zinc/97/90/49/568979049.db2.gz AYHIEMSFCHHRPR-KRWDZBQOSA-N 0 1 424.530 2.154 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccc(C)cc4[nH]3)CC2)cc1 ZINC000038489498 568997722 /nfs/dbraw/zinc/99/77/22/568997722.db2.gz BTJNOMQMHOWHLX-UHFFFAOYSA-N 0 1 413.503 2.341 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)C[C@H](C)c2ccccc2)c1 ZINC000015864128 569016302 /nfs/dbraw/zinc/01/63/02/569016302.db2.gz JOJQQUIRIXBZEZ-SFHVURJKSA-N 0 1 422.529 2.323 50 0 HEAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006178657 569017796 /nfs/dbraw/zinc/01/77/96/569017796.db2.gz LHIBJNOKLSZCSD-NSHDSACASA-N 0 1 403.489 2.238 50 0 HEAAMN CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022058092 569031650 /nfs/dbraw/zinc/03/16/50/569031650.db2.gz FDTBGWCEKRVLGI-VQIMIIECSA-N 0 1 415.490 2.133 50 0 HEAAMN Nc1cccc(CN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000215671980 569051912 /nfs/dbraw/zinc/05/19/12/569051912.db2.gz SOGBCPRENAOXIB-OAHLLOKOSA-N 0 1 421.238 2.295 50 0 HEAAMN CN1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)C[C@H]1c1ccccc1 ZINC000244882501 569055163 /nfs/dbraw/zinc/05/51/63/569055163.db2.gz XTCQJQBWQRCTFV-FQEVSTJZSA-N 0 1 419.529 2.295 50 0 HEAAMN CN(CCCn1ccnc1)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000089346155 569058649 /nfs/dbraw/zinc/05/86/49/569058649.db2.gz PYRDRMHYCWQIGG-UHFFFAOYSA-N 0 1 409.490 2.391 50 0 HEAAMN COCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589892 569069118 /nfs/dbraw/zinc/06/91/18/569069118.db2.gz ALVOLROQYZVVRA-UHFFFAOYSA-N 0 1 401.438 2.431 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)n1 ZINC000064800702 569097439 /nfs/dbraw/zinc/09/74/39/569097439.db2.gz BVXXFFMPBJORFJ-UHFFFAOYSA-N 0 1 419.551 2.353 50 0 HEAAMN O=C(NCCN1CCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062584 569166306 /nfs/dbraw/zinc/16/63/06/569166306.db2.gz KDWRLWCGMHEIIU-UHFFFAOYSA-N 0 1 401.536 2.257 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)cn2)CC1 ZINC000065166768 569188793 /nfs/dbraw/zinc/18/87/93/569188793.db2.gz BPSLRPABESJEQV-UHFFFAOYSA-N 0 1 422.577 2.460 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1 ZINC000036569666 569200909 /nfs/dbraw/zinc/20/09/09/569200909.db2.gz AGGDSGDVZDJODM-UYAOXDASSA-N 0 1 405.458 2.246 50 0 HEAAMN Cc1cc(C)c2c(n1)nc(C(=O)NCCN1CCCCC1)nc2N1CCSCC1 ZINC000065232078 569201325 /nfs/dbraw/zinc/20/13/25/569201325.db2.gz HWANQHAMMKYLKJ-UHFFFAOYSA-N 0 1 414.579 2.411 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000036579980 569202857 /nfs/dbraw/zinc/20/28/57/569202857.db2.gz PFWFDYWHPFKBKC-QUCCMNQESA-N 0 1 405.458 2.246 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 ZINC000036593575 569204464 /nfs/dbraw/zinc/20/44/64/569204464.db2.gz MELGKIISZCKDQQ-SJLPKXTDSA-N 0 1 418.519 2.370 50 0 HEAAMN O=C(NCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C1(c2ccccc2)CCOCC1 ZINC000524730151 569211922 /nfs/dbraw/zinc/21/19/22/569211922.db2.gz XLXNNBKDEOSLNF-UXHICEINSA-N 0 1 421.541 2.132 50 0 HEAAMN O=C(CCc1c[nH]c2ccccc12)NCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731809 569212436 /nfs/dbraw/zinc/21/24/36/569212436.db2.gz LDCYNOCGHQFGMR-MJGOQNOKSA-N 0 1 404.514 2.498 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1S(N)(=O)=O ZINC000007051294 569213574 /nfs/dbraw/zinc/21/35/74/569213574.db2.gz SNEZVHYOFDXRSB-UHFFFAOYSA-N 0 1 410.395 2.162 50 0 HEAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065313989 569223088 /nfs/dbraw/zinc/22/30/88/569223088.db2.gz RTEDZBKHKUZBJL-OAQYLSRUSA-N 0 1 423.561 2.062 50 0 HEAAMN CCOc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000007127198 569225404 /nfs/dbraw/zinc/22/54/04/569225404.db2.gz WWGXNQPKKUVCPF-ORAYPTAESA-N 0 1 422.489 2.387 50 0 HEAAMN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCN2CCCC[C@@H]2C1 ZINC000065499469 569232618 /nfs/dbraw/zinc/23/26/18/569232618.db2.gz DQPUICHZYFTAJX-SJORKVTESA-N 0 1 406.324 2.499 50 0 HEAAMN C[C@@H]1COC[C@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000089941341 569269325 /nfs/dbraw/zinc/26/93/25/569269325.db2.gz CWOHPHBAXWMFDZ-AOOOYVTPSA-N 0 1 412.227 2.382 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000017012465 569271559 /nfs/dbraw/zinc/27/15/59/569271559.db2.gz GCJOEJFOTNUSGA-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN COC(=O)c1ncsc1S(=O)(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl ZINC000328594017 569415619 /nfs/dbraw/zinc/41/56/19/569415619.db2.gz JGEOMJJSSYBXFK-UHFFFAOYSA-N 0 1 420.852 2.179 50 0 HEAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(=O)OC)[n-]c(=O)c2C1 ZINC000067291729 571068266 /nfs/dbraw/zinc/06/82/66/571068266.db2.gz GQLROQQPMMNMGQ-UHFFFAOYSA-N 0 1 416.503 2.468 50 0 HEAAMN CCN1CCN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000040121465 571177484 /nfs/dbraw/zinc/17/74/84/571177484.db2.gz YSAVBHMETHACGU-LJQANCHMSA-N 0 1 400.910 2.497 50 0 HEAAMN CCCN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 ZINC000040159483 571205356 /nfs/dbraw/zinc/20/53/56/571205356.db2.gz MCAQCQCSAKTMPS-UHFFFAOYSA-N 0 1 406.571 2.458 50 0 HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009378440 571253405 /nfs/dbraw/zinc/25/34/05/571253405.db2.gz GYIKZIWRUANDCE-OAQYLSRUSA-N 0 1 418.453 2.201 50 0 HEAAMN CCn1nccc1C(=O)N1CCC(N2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802110 1078771730 /nfs/dbraw/zinc/77/17/30/1078771730.db2.gz FCGLEUSICDGYTH-FQEVSTJZSA-N 0 1 402.539 2.168 50 0 HEAAMN COc1cccc(S(=O)(=O)N2CC(c3noc([C@@H]4CCCN4CC4CC4)n3)C2)c1 ZINC000575541424 1076333352 /nfs/dbraw/zinc/33/33/52/1076333352.db2.gz CMCQNYYBPFZXLZ-SFHVURJKSA-N 0 1 418.519 2.413 50 0 HEAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000004412471 132276445 /nfs/dbraw/zinc/27/64/45/132276445.db2.gz KNHUPUKTLRZXKB-UHFFFAOYSA-N 0 1 413.474 2.495 50 0 HEAAMN O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)N1CCN(c2ccccc2F)CC1 ZINC000012415537 132359644 /nfs/dbraw/zinc/35/96/44/132359644.db2.gz UBAWPZPRUCPYHA-UHFFFAOYSA-N 0 1 416.478 2.277 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012558257 132363942 /nfs/dbraw/zinc/36/39/42/132363942.db2.gz PGSYJPDAYULGQY-UHFFFAOYSA-N 0 1 405.495 2.380 50 0 HEAAMN CC[C@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CCN1C(C)C ZINC000012752089 132366630 /nfs/dbraw/zinc/36/66/30/132366630.db2.gz MVIBFCPVSVVOMF-IBGZPJMESA-N 0 1 402.539 2.370 50 0 HEAAMN CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCC2)cc1 ZINC000045974241 519437104 /nfs/dbraw/zinc/43/71/04/519437104.db2.gz XUFWEDWBHBILEN-UHFFFAOYSA-N 0 1 407.580 2.250 50 0 HEAAMN CCCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000045944448 520161975 /nfs/dbraw/zinc/16/19/75/520161975.db2.gz FKFRBYOFAWCGKC-UHFFFAOYSA-N 0 1 411.568 2.088 50 0 HEAAMN CCCC1N=NC(=S)N1CC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000032830675 521567316 /nfs/dbraw/zinc/56/73/16/521567316.db2.gz INQYBQIKAORRJZ-HOTGVXAUSA-N 0 1 417.579 2.445 50 0 HEAAMN CCCn1c2ccccc2n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O ZINC000032842882 521638477 /nfs/dbraw/zinc/63/84/77/521638477.db2.gz KUOJVQPCJWVGED-UHFFFAOYSA-N 0 1 414.550 2.364 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccsc2)CC1 ZINC000022766274 523919363 /nfs/dbraw/zinc/91/93/63/523919363.db2.gz BQFGEAQPCQLXJU-QGZVFWFLSA-N 0 1 408.474 2.070 50 0 HEAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)cc1 ZINC000045944141 524403344 /nfs/dbraw/zinc/40/33/44/524403344.db2.gz SVJMFJGBPUQRIV-UHFFFAOYSA-N 0 1 407.561 2.069 50 0 HEAAMN Cc1cccn2c(CN(C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12 ZINC000020535720 525462196 /nfs/dbraw/zinc/46/21/96/525462196.db2.gz BZFMGSJOYUBNKT-HXUWFJFHSA-N 0 1 408.502 2.281 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)c(C)c1 ZINC000045944687 525512028 /nfs/dbraw/zinc/51/20/28/525512028.db2.gz LKHPCABGJJBBNX-UHFFFAOYSA-N 0 1 407.580 2.449 50 0 HEAAMN COc1ccc(NC(=O)c2coc(CN3CCN(C[C@H](O)C(C)C)CC3)n2)cc1 ZINC000034678406 557366615 /nfs/dbraw/zinc/36/66/15/557366615.db2.gz LFXOKBBDXSMHGZ-IBGZPJMESA-N 0 1 402.495 2.070 50 0 HEAAMN O=C(c1ccco1)N1CCc2n[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 ZINC000034790079 557469785 /nfs/dbraw/zinc/46/97/85/557469785.db2.gz SKGMQNZRGAYVHP-UHFFFAOYSA-N 0 1 423.448 2.303 50 0 HEAAMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000003876416 557502145 /nfs/dbraw/zinc/50/21/45/557502145.db2.gz HETVLTBVYUMISG-UHFFFAOYSA-N 0 1 406.416 2.019 50 0 HEAAMN C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCO1 ZINC000005041628 557628643 /nfs/dbraw/zinc/62/86/43/557628643.db2.gz SGIFMUWXDOFORS-IUODEOHRSA-N 0 1 407.521 2.131 50 0 HEAAMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)NC(=O)CC4)cc2oc1=O ZINC000005484433 557656816 /nfs/dbraw/zinc/65/68/16/557656816.db2.gz RERUVMDWBIMNGJ-UHFFFAOYSA-N 0 1 407.835 2.470 50 0 HEAAMN COCCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CCN(C)CC2)c1=O ZINC000022697630 557784229 /nfs/dbraw/zinc/78/42/29/557784229.db2.gz CALDGEUJFQPAGP-FQEVSTJZSA-N 0 1 405.926 2.499 50 0 HEAAMN COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1=O ZINC000022697670 557784317 /nfs/dbraw/zinc/78/43/17/557784317.db2.gz UYUIVWRHAWQPIZ-HXUWFJFHSA-N 0 1 405.926 2.499 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1C ZINC000022767142 557815055 /nfs/dbraw/zinc/81/50/55/557815055.db2.gz NTWAGUNRFAOZJK-GOSISDBHSA-N 0 1 409.577 2.332 50 0 HEAAMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCN(C)CC1 ZINC000022778572 557821475 /nfs/dbraw/zinc/82/14/75/557821475.db2.gz MDJZPSCFKGTYQN-JOCHJYFZSA-N 0 1 424.545 2.301 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(F)cc2)CC1 ZINC000022795850 557822873 /nfs/dbraw/zinc/82/28/73/557822873.db2.gz HLQXYXOTOQAXAZ-HXUWFJFHSA-N 0 1 404.530 2.069 50 0 HEAAMN O=S(=O)(c1ccccc1)N1CCC(O)(CN2CCN(c3ccccc3)CC2)CC1 ZINC000020366815 558358538 /nfs/dbraw/zinc/35/85/38/558358538.db2.gz BVWUSKGTLQRJNR-UHFFFAOYSA-N 0 1 415.559 2.024 50 0 HEAAMN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)CC1 ZINC000020455189 558368907 /nfs/dbraw/zinc/36/89/07/558368907.db2.gz VGSKMYIOTHBTDF-KRWDZBQOSA-N 0 1 407.584 2.482 50 0 HEAAMN CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)o1 ZINC000020914342 558422409 /nfs/dbraw/zinc/42/24/09/558422409.db2.gz ADPXJWVHERMAOY-SFHVURJKSA-N 0 1 403.527 2.342 50 0 HEAAMN O=C(CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000021534853 558440829 /nfs/dbraw/zinc/44/08/29/558440829.db2.gz WRVIYDYYKSYTAS-KRWDZBQOSA-N 0 1 413.440 2.149 50 0 HEAAMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012993069 558497184 /nfs/dbraw/zinc/49/71/84/558497184.db2.gz SLGKSDDJNIAHOU-HXUWFJFHSA-N 0 1 410.518 2.235 50 0 HEAAMN CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000023240060 558544871 /nfs/dbraw/zinc/54/48/71/558544871.db2.gz HPYULEWSFNSJGW-RTWAWAEBSA-N 0 1 419.566 2.313 50 0 HEAAMN COCCn1c(CN2CC[C@H](N(C)C)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000023373199 558553223 /nfs/dbraw/zinc/55/32/23/558553223.db2.gz PPSDLOMIQKUGRQ-KRWDZBQOSA-N 0 1 412.600 2.162 50 0 HEAAMN COc1cc(-c2nc(CC(=O)NCCc3cnc[nH]3)cs2)cc(OC)c1OC ZINC000013689001 558571423 /nfs/dbraw/zinc/57/14/23/558571423.db2.gz ZGUCAJIETVOVKB-UHFFFAOYSA-N 0 1 402.476 2.460 50 0 HEAAMN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023762276 558574697 /nfs/dbraw/zinc/57/46/97/558574697.db2.gz LNNRJJYRZAGVCV-UHFFFAOYSA-N 0 1 420.513 2.349 50 0 HEAAMN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 ZINC000014538986 558659155 /nfs/dbraw/zinc/65/91/55/558659155.db2.gz OMKIHCCQFUNPMU-NDXORKPFSA-N 0 1 424.451 2.246 50 0 HEAAMN CC(=O)NCC(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014968555 558686681 /nfs/dbraw/zinc/68/66/81/558686681.db2.gz PWGVYYFXROZCCB-FQEVSTJZSA-N 0 1 405.514 2.181 50 0 HEAAMN Cc1ccc(CN(C)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000015023889 558703531 /nfs/dbraw/zinc/70/35/31/558703531.db2.gz CULQEVCYTRWTCE-QGZVFWFLSA-N 0 1 403.548 2.130 50 0 HEAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024871 558768839 /nfs/dbraw/zinc/76/88/39/558768839.db2.gz NTYZDXDWZHLFJP-UNKHORCTSA-N 0 1 403.482 2.286 50 0 HEAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033769 558857794 /nfs/dbraw/zinc/85/77/94/558857794.db2.gz MVWUQQUAQXIHAG-UHFFFAOYSA-N 0 1 416.547 2.344 50 0 HEAAMN CCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000033034158 558858222 /nfs/dbraw/zinc/85/82/22/558858222.db2.gz GOEBNPUYSKGADD-UHFFFAOYSA-N 0 1 416.547 2.209 50 0 HEAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000055107508 558872548 /nfs/dbraw/zinc/87/25/48/558872548.db2.gz PELOSZDEBRDECQ-HWWNHIDJSA-N 0 1 421.545 2.151 50 0 HEAAMN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1=O ZINC000058438425 558927108 /nfs/dbraw/zinc/92/71/08/558927108.db2.gz OCRRIJBMDVLULK-KRWDZBQOSA-N 0 1 408.502 2.439 50 0 HEAAMN COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000021806349 558952172 /nfs/dbraw/zinc/95/21/72/558952172.db2.gz GZKPRIVLEVFDAA-KBPBESRZSA-N 0 1 420.535 2.454 50 0 HEAAMN Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(N2CCOCC2)n1 ZINC000064799857 558965736 /nfs/dbraw/zinc/96/57/36/558965736.db2.gz PVSYFFLLOFRGJC-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065364389 558975553 /nfs/dbraw/zinc/97/55/53/558975553.db2.gz GUEGSQHVOPBQJJ-UHFFFAOYSA-N 0 1 416.547 2.395 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077319434 559001257 /nfs/dbraw/zinc/00/12/57/559001257.db2.gz YQXJJPULLDYMPB-BLRYILKCSA-N 0 1 420.513 2.276 50 0 HEAAMN Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC1(N3CCOCC3)CCCCC1)C2=O ZINC000023736692 559179572 /nfs/dbraw/zinc/17/95/72/559179572.db2.gz NCKBBDVPLLNLRE-UHFFFAOYSA-N 0 1 413.518 2.132 50 0 HEAAMN CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011858308 559263059 /nfs/dbraw/zinc/26/30/59/559263059.db2.gz COWJCDHHXVUXNC-UHFFFAOYSA-N 0 1 424.500 2.341 50 0 HEAAMN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(-c3ccccc3)n[nH]1)C2=O ZINC000005210018 560538945 /nfs/dbraw/zinc/53/89/45/560538945.db2.gz BOYFDHWYYWMBFT-UHFFFAOYSA-N 0 1 414.491 2.096 50 0 HEAAMN C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 ZINC000102784278 560827460 /nfs/dbraw/zinc/82/74/60/560827460.db2.gz AAXHHKHQORLYBE-PTLSTEMOSA-N 0 1 405.454 2.494 50 0 HEAAMN COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)Nc1ccccc1C(=O)OC ZINC000000643638 568457034 /nfs/dbraw/zinc/45/70/34/568457034.db2.gz RQXLMNDEFPNQNL-UHFFFAOYSA-N 0 1 423.443 2.007 50 0 HEAAMN COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000095476533 568630454 /nfs/dbraw/zinc/63/04/54/568630454.db2.gz POGGAOOEDBDUCT-ZDUSSCGKSA-N 0 1 415.475 2.202 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000020610961 568637103 /nfs/dbraw/zinc/63/71/03/568637103.db2.gz CWCVBOZHIWSQNV-KGYLXKDPSA-N 0 1 405.454 2.276 50 0 biogenic HEAAMN CSCC[C@@H]1N[C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020610858 568637121 /nfs/dbraw/zinc/63/71/21/568637121.db2.gz HGEBMVUMLBLGLT-SUWCGCSTSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 ZINC000020761808 568642363 /nfs/dbraw/zinc/64/23/63/568642363.db2.gz AGGDSGDVZDJODM-ICSRJNTNSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN CCc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1 ZINC000021154328 568673024 /nfs/dbraw/zinc/67/30/24/568673024.db2.gz RUDPFYINMPFUNS-UHFFFAOYSA-N 0 1 405.520 2.478 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000096118711 568698441 /nfs/dbraw/zinc/69/84/41/568698441.db2.gz PEPSUXRASFFMSN-KRWDZBQOSA-N 0 1 424.505 2.419 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000096118711 568698443 /nfs/dbraw/zinc/69/84/43/568698443.db2.gz PEPSUXRASFFMSN-KRWDZBQOSA-N 0 1 424.505 2.419 50 0 HEAAMN CCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324931 568734617 /nfs/dbraw/zinc/73/46/17/568734617.db2.gz QZGJSIJAHVMMFF-UHFFFAOYSA-N 0 1 405.458 2.469 50 0 HEAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cn(C)c2ccccc12 ZINC000021698460 568741236 /nfs/dbraw/zinc/74/12/36/568741236.db2.gz AOMAHCRGXXZZBW-LJQANCHMSA-N 0 1 422.485 2.307 50 0 HEAAMN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)N(C)C)cc1C ZINC000021763082 568752308 /nfs/dbraw/zinc/75/23/08/568752308.db2.gz MVBDNLAQBSUFEO-QGZVFWFLSA-N 0 1 409.577 2.452 50 0 HEAAMN CCCCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952417 568822152 /nfs/dbraw/zinc/82/21/52/568822152.db2.gz XBRZBHSKQFBMKF-UHFFFAOYSA-N 0 1 424.549 2.244 50 0 HEAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415836 568833941 /nfs/dbraw/zinc/83/39/41/568833941.db2.gz OMPLIDXSDAGZMF-SFHVURJKSA-N 0 1 405.520 2.305 50 0 HEAAMN Cc1cc(C)n(CCCC(=O)N2C[C@H]3C[N@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000534655176 568878874 /nfs/dbraw/zinc/87/88/74/568878874.db2.gz KLMQCTDMWOTQGB-XMSQKQJNSA-N 0 1 402.539 2.458 50 0 HEAAMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCN(CCOc2ccccc2)CC1 ZINC000012639313 568884093 /nfs/dbraw/zinc/88/40/93/568884093.db2.gz VUPGHJSAFBMQJF-UHFFFAOYSA-N 0 1 424.526 2.282 50 0 HEAAMN Cc1nc2ccc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)cc2o1 ZINC000670445974 568909370 /nfs/dbraw/zinc/90/93/70/568909370.db2.gz WMTLCGKCZJWBFR-NBTXJNEHSA-N 0 1 402.498 2.434 50 0 HEAAMN Cc1cc(I)ccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000003605764 568919457 /nfs/dbraw/zinc/91/94/57/568919457.db2.gz XBAUOAPLYBUVQC-UHFFFAOYSA-N 0 1 415.260 2.285 50 0 HEAAMN COc1ccc(-c2n[nH]c(NC(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1OC ZINC000012736202 568924854 /nfs/dbraw/zinc/92/48/54/568924854.db2.gz NWMDQZSJFRHGML-UHFFFAOYSA-N 0 1 417.447 2.113 50 0 HEAAMN CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cc1 ZINC000670451842 568926453 /nfs/dbraw/zinc/92/64/53/568926453.db2.gz FLQPUONOUJGOLG-UHFFFAOYSA-N 0 1 402.476 2.190 50 0 HEAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037746 568969905 /nfs/dbraw/zinc/96/99/05/568969905.db2.gz JZAIFYAPDRWYGF-HXUWFJFHSA-N 0 1 413.543 2.475 50 0 HEAAMN COc1ccccc1[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)N1CCCC1 ZINC000006084808 568997089 /nfs/dbraw/zinc/99/70/89/568997089.db2.gz JHKBGYPXTMVNPC-VQTJNVASSA-N 0 1 410.518 2.228 50 0 HEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000015956638 569024555 /nfs/dbraw/zinc/02/45/55/569024555.db2.gz ZDADBIPRYSLBQP-SUWCGCSTSA-N 0 1 407.495 2.365 50 0 biogenic HEAAMN CCN1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn2)CC1 ZINC000033261539 569059458 /nfs/dbraw/zinc/05/94/58/569059458.db2.gz CKBCUENIPHEMIY-FQEVSTJZSA-N 0 1 408.550 2.151 50 0 HEAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cnc(C)[nH]4)C3)C2=O)c1OC ZINC000426647101 569073703 /nfs/dbraw/zinc/07/37/03/569073703.db2.gz MHLPJDUWUIHVSL-JOCHJYFZSA-N 0 1 412.490 2.390 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991525 569074597 /nfs/dbraw/zinc/07/45/97/569074597.db2.gz JFECVGFEUKDZFY-LJQANCHMSA-N 0 1 420.941 2.491 50 0 HEAAMN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2oc1=O ZINC000064818913 569101745 /nfs/dbraw/zinc/10/17/45/569101745.db2.gz QSSOQLVDECLQPY-UHFFFAOYSA-N 0 1 420.443 2.357 50 0 HEAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000064969498 569138022 /nfs/dbraw/zinc/13/80/22/569138022.db2.gz NJPJOQJVULLSBO-UHFFFAOYSA-N 0 1 418.475 2.019 50 0 HEAAMN CCn1c(CN2CCCC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908101 569178754 /nfs/dbraw/zinc/17/87/54/569178754.db2.gz VZPYKDJDRPSVBJ-MRXNPFEDSA-N 0 1 406.552 2.452 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C2CCCC2)cn1C ZINC000007007098 569199902 /nfs/dbraw/zinc/19/99/02/569199902.db2.gz UXDJCFIEMLQJID-UHFFFAOYSA-N 0 1 409.508 2.128 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1OC)C(C)C ZINC000036601878 569205355 /nfs/dbraw/zinc/20/53/55/569205355.db2.gz PEIDLQFGFLMYJF-AEFFLSMTSA-N 0 1 416.478 2.282 50 0 HEAAMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000007052382 569214220 /nfs/dbraw/zinc/21/42/20/569214220.db2.gz QYTCOEWTVYXGNC-UHFFFAOYSA-N 0 1 408.501 2.475 50 0 HEAAMN CCOc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000007127213 569225408 /nfs/dbraw/zinc/22/54/08/569225408.db2.gz WWGXNQPKKUVCPF-DJJJIMSYSA-N 0 1 422.489 2.387 50 0 HEAAMN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520399 569260266 /nfs/dbraw/zinc/26/02/66/569260266.db2.gz ZZXVTAOFUCETEJ-FQEVSTJZSA-N 0 1 413.497 2.366 50 0 HEAAMN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520326 569260276 /nfs/dbraw/zinc/26/02/76/569260276.db2.gz WUSRXOKZXQJUFM-CQSZACIVSA-N 0 1 401.898 2.244 50 0 HEAAMN CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000018203282 569387795 /nfs/dbraw/zinc/38/77/95/569387795.db2.gz KRMINIISJISQMD-VWXURSGXSA-N 0 1 417.506 2.242 50 0 HEAAMN Cn1c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)cc2oc1=O ZINC000002440190 569400254 /nfs/dbraw/zinc/40/02/54/569400254.db2.gz YJGLJCKFGWIIPL-UHFFFAOYSA-N 0 1 401.488 2.074 50 0 HEAAMN Nc1ncc(Br)cc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000079108034 569427869 /nfs/dbraw/zinc/42/78/69/569427869.db2.gz RRZSHTXEGQVYKH-UHFFFAOYSA-N 0 1 408.281 2.472 50 0 HEAAMN Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000038670736 571059983 /nfs/dbraw/zinc/05/99/83/571059983.db2.gz WOVXPZGRLGDAPH-UHFFFAOYSA-N 0 1 419.429 2.140 50 0 HEAAMN Cc1ccc(CN2CCCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)cc1 ZINC000040086998 571157587 /nfs/dbraw/zinc/15/75/87/571157587.db2.gz MDJCVPLUHXNZNL-UHFFFAOYSA-N 0 1 420.517 2.295 50 0 HEAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000009356442 571251333 /nfs/dbraw/zinc/25/13/33/571251333.db2.gz JLHIDGIRIMVDRP-AWEZNQCLSA-N 0 1 417.487 2.219 50 0 HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009378439 571253504 /nfs/dbraw/zinc/25/35/04/571253504.db2.gz GYIKZIWRUANDCE-NRFANRHFSA-N 0 1 418.453 2.201 50 0 HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000009476959 571261662 /nfs/dbraw/zinc/26/16/62/571261662.db2.gz LULLTGXQKQDRQJ-UHFFFAOYSA-N 0 1 420.498 2.104 50 0 HEAAMN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000009516905 571265154 /nfs/dbraw/zinc/26/51/54/571265154.db2.gz SWQIJHWYGPRNJP-LAUBAEHRSA-N 0 1 418.925 2.314 50 0 HEAAMN O=S(=O)(Cc1ccccc1F)N1CC[C@H](Cc2nc(-c3cccnc3)n[nH]2)C1 ZINC000581780112 1078745387 /nfs/dbraw/zinc/74/53/87/1078745387.db2.gz PMGODYJIOZPTDO-CQSZACIVSA-N 0 1 401.467 2.400 50 0 HEAAMN O=S(=O)(Cc1ccccc1F)N1CC[C@H](Cc2n[nH]c(-c3cccnc3)n2)C1 ZINC000581780112 1078745392 /nfs/dbraw/zinc/74/53/92/1078745392.db2.gz PMGODYJIOZPTDO-CQSZACIVSA-N 0 1 401.467 2.400 50 0 HEAAMN O=S(=O)(c1cccs1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011698056 132350190 /nfs/dbraw/zinc/35/01/90/132350190.db2.gz JEPCBFOTBOHGRV-UHFFFAOYSA-N 0 1 402.505 2.188 50 0 HEAAMN Cc1nonc1CNC1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000012151750 132355273 /nfs/dbraw/zinc/35/52/73/132355273.db2.gz FKQJEZJSDXLEPY-UHFFFAOYSA-N 0 1 406.490 2.462 50 0 HEAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766187 523821428 /nfs/dbraw/zinc/82/14/28/523821428.db2.gz DDCMAPQZVZKXLH-GOSISDBHSA-N 0 1 416.547 2.109 50 0 HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000032124516 523900256 /nfs/dbraw/zinc/90/02/56/523900256.db2.gz MELGKIISZCKDQQ-WMZOPIPTSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000032124232 523900277 /nfs/dbraw/zinc/90/02/77/523900277.db2.gz WLRZVXYQBBVFJD-FUHWJXTLSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766164 523919396 /nfs/dbraw/zinc/91/93/96/523919396.db2.gz ARGCNPZIXLTORD-GOSISDBHSA-N 0 1 420.966 2.123 50 0 HEAAMN Cc1cccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)c1 ZINC000045945563 524381383 /nfs/dbraw/zinc/38/13/83/524381383.db2.gz MZDMYOTUKKRMLR-UHFFFAOYSA-N 0 1 407.561 2.069 50 0 HEAAMN O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NC1CCCCC1 ZINC000044894017 527415792 /nfs/dbraw/zinc/41/57/92/527415792.db2.gz NCZKHNUCFFAUFS-UHFFFAOYSA-N 0 1 409.534 2.014 50 0 HEAAMN CCOC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000000787383 557080758 /nfs/dbraw/zinc/08/07/58/557080758.db2.gz RGCLMSHSTOWZPE-UHFFFAOYSA-N 0 1 418.563 2.366 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000917345 557117956 /nfs/dbraw/zinc/11/79/56/557117956.db2.gz TXCGQPXKXQIQII-UHFFFAOYSA-N 0 1 411.443 2.488 50 0 HEAAMN COc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4ccccc4)c3C2)cc1 ZINC000034789480 557469506 /nfs/dbraw/zinc/46/95/06/557469506.db2.gz BTLRCEXOUIDESD-UHFFFAOYSA-N 0 1 404.470 2.476 50 0 HEAAMN COCCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973727 557775760 /nfs/dbraw/zinc/77/57/60/557775760.db2.gz JPPNJRLBEDSDFN-UHFFFAOYSA-N 0 1 400.298 2.364 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(F)cc2)CC1 ZINC000022778655 557821467 /nfs/dbraw/zinc/82/14/67/557821467.db2.gz YXCJAFSRPFLWBA-IBGZPJMESA-N 0 1 402.445 2.008 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022796062 557822889 /nfs/dbraw/zinc/82/28/89/557822889.db2.gz DLKMJDFIELHLJT-LJQANCHMSA-N 0 1 402.445 2.008 50 0 HEAAMN COc1ccc(OC)c(COC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000022918069 558260988 /nfs/dbraw/zinc/26/09/88/558260988.db2.gz CVFZWMCEVLGKNQ-OAQYLSRUSA-N 0 1 400.519 2.399 50 0 HEAAMN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC(CN2CCOCC2)CC1 ZINC000019770524 558279477 /nfs/dbraw/zinc/27/94/77/558279477.db2.gz QBZWKHMTLHYQKV-UHFFFAOYSA-N 0 1 421.904 2.303 50 0 HEAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000012154961 558339888 /nfs/dbraw/zinc/33/98/88/558339888.db2.gz NGGKGPYUWQDKNK-GOSISDBHSA-N 0 1 418.586 2.008 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN(C)Cc2nc3cccc(C)c3[nH]2)n1CCOC ZINC000012303431 558373078 /nfs/dbraw/zinc/37/30/78/558373078.db2.gz MMCIDGNLJLTFGM-UHFFFAOYSA-N 0 1 405.524 2.140 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCCN2C)n1CCc1ccccc1 ZINC000020784302 558413395 /nfs/dbraw/zinc/41/33/95/558413395.db2.gz QLGGTUSEOCKGRS-IBGZPJMESA-N 0 1 404.580 2.445 50 0 HEAAMN CCN1CCN(C2=N[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122890 558431441 /nfs/dbraw/zinc/43/14/41/558431441.db2.gz CGIAPHYIDRJREW-HXUWFJFHSA-N 0 1 421.501 2.299 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@@]21c2ccccc2NC1=O ZINC000013574004 558543094 /nfs/dbraw/zinc/54/30/94/558543094.db2.gz HLDAZIGKCCKODR-OPKBTAHXSA-N 0 1 403.482 2.448 50 0 HEAAMN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375487 558555044 /nfs/dbraw/zinc/55/50/44/558555044.db2.gz JIAMZRYDJDPEOE-KRWDZBQOSA-N 0 1 405.495 2.162 50 0 HEAAMN COc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024745656 558609550 /nfs/dbraw/zinc/60/95/50/558609550.db2.gz BGUPUMUVZHVHFM-GFCCVEGCSA-N 0 1 419.438 2.426 50 0 HEAAMN COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000014249713 558649573 /nfs/dbraw/zinc/64/95/73/558649573.db2.gz SRSMXSGNZIZJCG-QGZVFWFLSA-N 0 1 424.530 2.154 50 0 HEAAMN COc1cccc([C@H](CNC(=O)c2ccc(N3CCOCC3)nc2)N2CCCC2)c1 ZINC000027342911 558672225 /nfs/dbraw/zinc/67/22/25/558672225.db2.gz STOBZEWSXXZLGV-NRFANRHFSA-N 0 1 410.518 2.494 50 0 HEAAMN O=S(=O)(Cc1ccc(F)cc1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000029231612 558712089 /nfs/dbraw/zinc/71/20/89/558712089.db2.gz XTKSIORWVLWDKQ-UHFFFAOYSA-N 0 1 405.539 2.453 50 0 HEAAMN O=C(CNCCCn1ccnc1)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000015081326 558718951 /nfs/dbraw/zinc/71/89/51/558718951.db2.gz GNTZMLPEKICRTD-UHFFFAOYSA-N 0 1 415.404 2.464 50 0 HEAAMN C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022220 558768149 /nfs/dbraw/zinc/76/81/49/558768149.db2.gz SXVOGORCJGPMFL-ZPDOKQEQSA-N 0 1 409.873 2.323 50 0 HEAAMN CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000060341723 558856889 /nfs/dbraw/zinc/85/68/89/558856889.db2.gz JLLSBKKUQLAKJE-UHFFFAOYSA-N 0 1 423.438 2.456 50 0 HEAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033945 558858147 /nfs/dbraw/zinc/85/81/47/558858147.db2.gz MSQVAVQUIFBYOL-INIZCTEOSA-N 0 1 416.547 2.425 50 0 HEAAMN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072163059 558930197 /nfs/dbraw/zinc/93/01/97/558930197.db2.gz IURQZGPDEGLFJE-INIZCTEOSA-N 0 1 423.439 2.149 50 0 HEAAMN O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)N1CCCOCC1 ZINC000072161426 558930230 /nfs/dbraw/zinc/93/02/30/558930230.db2.gz CXIBCBYXSFYUEJ-QHCPKHFHSA-N 0 1 421.541 2.258 50 0 HEAAMN Cc1ccnc(N2CCC(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)n1 ZINC000065001757 558968641 /nfs/dbraw/zinc/96/86/41/558968641.db2.gz MDBBIGLCNMDNHK-UHFFFAOYSA-N 0 1 422.577 2.330 50 0 HEAAMN Cc1noc(C)c1CN1CCN(CCC(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000072405461 558983850 /nfs/dbraw/zinc/98/38/50/558983850.db2.gz GQQZPRRDJZFAJM-UHFFFAOYSA-N 0 1 423.521 2.078 50 0 HEAAMN CCCCCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N(C)C)C3)cc2C1 ZINC000077339465 559001791 /nfs/dbraw/zinc/00/17/91/559001791.db2.gz JQHHWVDBFJQJRV-IBGZPJMESA-N 0 1 407.580 2.476 50 0 HEAAMN O=C(NCc1cnc2ccccc2c1)c1ccc(CN2CCC(CO)CC2)[nH]c1=O ZINC000077485601 559006921 /nfs/dbraw/zinc/00/69/21/559006921.db2.gz JYQCMOXGWYGQTB-UHFFFAOYSA-N 0 1 406.486 2.057 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC13CCCCC3)CC2 ZINC000095500322 559082381 /nfs/dbraw/zinc/08/23/81/559082381.db2.gz GFTJOGMKKXTHSB-INIZCTEOSA-N 0 1 400.523 2.229 50 0 HEAAMN CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)cs1 ZINC000095525809 559085994 /nfs/dbraw/zinc/08/59/94/559085994.db2.gz CMLJSJLSJFOBNB-UHFFFAOYSA-N 0 1 402.520 2.196 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000248239644 559269156 /nfs/dbraw/zinc/26/91/56/559269156.db2.gz NVVBORDBMCXQLB-XAPZRWQFSA-N 0 1 405.495 2.098 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000005184855 559290611 /nfs/dbraw/zinc/29/06/11/559290611.db2.gz MDRNNKJCZHTENL-CYBMUJFWSA-N 0 1 409.533 2.232 50 0 HEAAMN COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2O)=NN1 ZINC000101762704 560800608 /nfs/dbraw/zinc/80/06/08/560800608.db2.gz JHSCOIGBQPNVKN-AWEZNQCLSA-N 0 1 412.833 2.332 50 0 HEAAMN CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCN(CCO)CC2)c1=O ZINC000022697269 568415497 /nfs/dbraw/zinc/41/54/97/568415497.db2.gz KYTLAVDPTNLVTJ-OAQYLSRUSA-N 0 1 417.575 2.303 50 0 HEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000108994588 568420577 /nfs/dbraw/zinc/42/05/77/568420577.db2.gz NENBHCDKYAJCPI-ATZCPNFKSA-N 0 1 410.860 2.010 50 0 HEAAMN COc1ccccc1[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)N1CCCCC1 ZINC000225392688 568633765 /nfs/dbraw/zinc/63/37/65/568633765.db2.gz NMTCCWXTCKUENO-ROUUACIJSA-N 0 1 411.493 2.304 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1OC)C(C)C ZINC000020762500 568642757 /nfs/dbraw/zinc/64/27/57/568642757.db2.gz PEIDLQFGFLMYJF-WMZOPIPTSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(CC(=O)Nc3ccccc3Cl)CC1)C2 ZINC000096003926 568682071 /nfs/dbraw/zinc/68/20/71/568682071.db2.gz ZZSSGWALAKDYLA-HNNXBMFYSA-N 0 1 415.925 2.259 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000096012194 568684631 /nfs/dbraw/zinc/68/46/31/568684631.db2.gz YAALHNAHCFSVLY-PWFNWSNSSA-N 0 1 424.544 2.335 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1 ZINC000096115687 568695066 /nfs/dbraw/zinc/69/50/66/568695066.db2.gz KRGCMDCVCIJSPC-NOLJZWGESA-N 0 1 416.507 2.145 50 0 biogenic HEAAMN Cc1cccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccc(C)c2)c1 ZINC000021534439 568711505 /nfs/dbraw/zinc/71/15/05/568711505.db2.gz DJLAYAIJJXJQGO-UHFFFAOYSA-N 0 1 415.559 2.316 50 0 HEAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000021534227 568711682 /nfs/dbraw/zinc/71/16/82/568711682.db2.gz HEYDMCFDQVTYDY-UHFFFAOYSA-N 0 1 415.559 2.316 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096324948 568734548 /nfs/dbraw/zinc/73/45/48/568734548.db2.gz SPBMLKJCKGPVCH-UHFFFAOYSA-N 0 1 418.457 2.028 50 0 HEAAMN COc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1OC ZINC000096324910 568734631 /nfs/dbraw/zinc/73/46/31/568734631.db2.gz FSSDNXWQALBEPM-UHFFFAOYSA-N 0 1 421.457 2.087 50 0 HEAAMN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324842 568734673 /nfs/dbraw/zinc/73/46/73/568734673.db2.gz YGIGYPFSQOFBFR-UHFFFAOYSA-N 0 1 405.458 2.007 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022582901 568771040 /nfs/dbraw/zinc/77/10/40/568771040.db2.gz LOYNHUJRJWPOHC-DENIHFKCSA-N 0 1 408.546 2.277 50 0 HEAAMN O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002966762 568830987 /nfs/dbraw/zinc/83/09/87/568830987.db2.gz PUFLXHVWRZHCOI-OAHLLOKOSA-N 0 1 422.466 2.180 50 0 HEAAMN Cn1cnc2c1c(=O)n(CCCSc1nc3ccc(Cl)cc3[nH]1)c(=O)n2C ZINC000012535020 568845048 /nfs/dbraw/zinc/84/50/48/568845048.db2.gz VBRTXTNURMZUGZ-UHFFFAOYSA-N 0 1 404.883 2.146 50 0 HEAAMN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ccc(CO)o2)CC1 ZINC000299764008 568873605 /nfs/dbraw/zinc/87/36/05/568873605.db2.gz IVGVPFPCWHXZRL-OAQYLSRUSA-N 0 1 418.465 2.182 50 0 HEAAMN Cc1nn(C)cc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299769433 568874198 /nfs/dbraw/zinc/87/41/98/568874198.db2.gz XLKZWCYRTZPKOJ-OAQYLSRUSA-N 0 1 416.497 2.138 50 0 HEAAMN O=C([O-])C1CCN(S(=O)(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000670436583 568874292 /nfs/dbraw/zinc/87/42/92/568874292.db2.gz PGGGDIDPKSHVBF-IBGZPJMESA-N 0 1 409.552 2.062 50 0 HEAAMN CCC[N@H+]1CCC[C@H](NC(=O)c2cn(CCc3ccccc3)cc(C(=O)[O-])c2=O)C1 ZINC000670444387 568903630 /nfs/dbraw/zinc/90/36/30/568903630.db2.gz NHRRSAROYBZVOJ-SFHVURJKSA-N 0 1 411.502 2.393 50 0 HEAAMN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031808462 568931661 /nfs/dbraw/zinc/93/16/61/568931661.db2.gz SVDQMVCNKYMRCG-CYBMUJFWSA-N 0 1 405.418 2.338 50 0 HEAAMN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000015680623 568967647 /nfs/dbraw/zinc/96/76/47/568967647.db2.gz YVKUEPAIRKEKSH-UHFFFAOYSA-N 0 1 424.910 2.096 50 0 HEAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008231028 568983889 /nfs/dbraw/zinc/98/38/89/568983889.db2.gz KWYRSJZFRLDLJD-GOSISDBHSA-N 0 1 403.504 2.386 50 0 HEAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 ZINC000015824969 569011347 /nfs/dbraw/zinc/01/13/47/569011347.db2.gz BVSYXNMVERWFOK-UHFFFAOYSA-N 0 1 419.485 2.454 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CCNCC2)C[C@@H](C)c2ccccc2)c1 ZINC000015864129 569016361 /nfs/dbraw/zinc/01/63/61/569016361.db2.gz JOJQQUIRIXBZEZ-GOSISDBHSA-N 0 1 422.529 2.323 50 0 HEAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015864286 569016415 /nfs/dbraw/zinc/01/64/15/569016415.db2.gz URMMXRMWJWSBBD-UHFFFAOYSA-N 0 1 419.522 2.011 50 0 HEAAMN CSCC[C@H]1N[C@@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958920 569024775 /nfs/dbraw/zinc/02/47/75/569024775.db2.gz FRCWUYJLWKGFRZ-FSNCLGKMSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000022077473 569042544 /nfs/dbraw/zinc/04/25/44/569042544.db2.gz LZJPRBUYHCLOCZ-WOJBJXKFSA-N 0 1 402.466 2.165 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000089382808 569058874 /nfs/dbraw/zinc/05/88/74/569058874.db2.gz FLXIECZFYTUFIA-UHFFFAOYSA-N 0 1 403.508 2.454 50 0 HEAAMN CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000036020580 569077422 /nfs/dbraw/zinc/07/74/22/569077422.db2.gz FDTBGWCEKRVLGI-APWZRJJASA-N 0 1 415.490 2.133 50 0 HEAAMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)[C@@H](C)C2)c1 ZINC000169752855 569160257 /nfs/dbraw/zinc/16/02/57/569160257.db2.gz ISCVRDHTWLPHEP-KRWDZBQOSA-N 0 1 421.505 2.166 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC)C(C)C ZINC000036593008 569204331 /nfs/dbraw/zinc/20/43/31/569204331.db2.gz OURKBYWXMCAJLX-MJGOQNOKSA-N 0 1 416.478 2.282 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC ZINC000036593276 569204340 /nfs/dbraw/zinc/20/43/40/569204340.db2.gz BCRJAWIOWBIOSP-CRAIPNDOSA-N 0 1 418.519 2.370 50 0 HEAAMN CC(C)N1CCN(C(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065314068 569223083 /nfs/dbraw/zinc/22/30/83/569223083.db2.gz YGAVUFQCBKBCJZ-NRFANRHFSA-N 0 1 423.561 2.061 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000013690849 569257210 /nfs/dbraw/zinc/25/72/10/569257210.db2.gz JNLVHKFTLBTGKN-UHFFFAOYSA-N 0 1 424.500 2.199 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1 ZINC000017050795 569272532 /nfs/dbraw/zinc/27/25/32/569272532.db2.gz INUSYSSQLKBCTE-UHFFFAOYSA-N 0 1 401.536 2.205 50 0 HEAAMN Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000007586145 569283283 /nfs/dbraw/zinc/28/32/83/569283283.db2.gz YFOMMJBEKCHYEV-SFHVURJKSA-N 0 1 408.531 2.454 50 0 HEAAMN COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381082 569364844 /nfs/dbraw/zinc/36/48/44/569364844.db2.gz CPLYWWPWWQYOHJ-QUSFXHMUSA-N 0 1 415.877 2.494 50 0 HEAAMN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCCC2)cc1 ZINC000013375869 569413001 /nfs/dbraw/zinc/41/30/01/569413001.db2.gz DDLGLIPUMBKRIQ-OALUTQOASA-N 0 1 415.577 2.337 50 0 HEAAMN C[C@@H](NC(=O)[C@@H](C)N1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972791 569422600 /nfs/dbraw/zinc/42/26/00/569422600.db2.gz FNXBHKZKWSKYRN-QZTJIDSGSA-N 0 1 407.530 2.205 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1 ZINC000008767995 571116006 /nfs/dbraw/zinc/11/60/06/571116006.db2.gz FKGZISPUYNGFSE-UHFFFAOYSA-N 0 1 409.460 2.393 50 0 HEAAMN CN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000040016171 571138786 /nfs/dbraw/zinc/13/87/86/571138786.db2.gz BGJCOYNXTUJUHT-CQSZACIVSA-N 0 1 423.560 2.265 50 0 HEAAMN CC[C@@]1(C)NC(=O)N(NC(=O)CNC(C)(C)c2ccc(Br)cc2)C1=O ZINC000040149545 571196926 /nfs/dbraw/zinc/19/69/26/571196926.db2.gz ZBKWMCJITHATCM-QGZVFWFLSA-N 0 1 411.300 2.026 50 0 HEAAMN COCCn1c(=O)cc(O)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000009316645 571247585 /nfs/dbraw/zinc/24/75/85/571247585.db2.gz MZWYZBXHDGNYSP-UHFFFAOYSA-N 0 1 414.281 2.089 50 0 HEAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009641549 571275933 /nfs/dbraw/zinc/27/59/33/571275933.db2.gz KSFQVMUJOYWMGG-SNVBAGLBSA-N 0 1 421.479 2.378 50 0 HEAAMN CCOC(=O)C1C(COC(=O)[C@H](O)c2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000010031450 571294165 /nfs/dbraw/zinc/29/41/65/571294165.db2.gz XQFODTLCLHKGCA-RTBURBONSA-N 0 1 410.426 2.135 50 0 HEAAMN Cc1noc2nc(CCC(=O)NCCc3cnc[nH]3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000035526646 571316892 /nfs/dbraw/zinc/31/68/92/571316892.db2.gz PLXFNCRLOWIPSS-OKILXGFUSA-N 0 1 411.510 2.423 50 0 HEAAMN CC(C)N1CCN(C(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)CC1 ZINC000581787390 1078760905 /nfs/dbraw/zinc/76/09/05/1078760905.db2.gz FMRBJYBEMQQVHM-UHFFFAOYSA-N 0 1 407.518 2.085 50 0 HEAAMN CC(C)CN1CCN(C(=O)CCc2nc([C@H]3CCCN3C(=O)NC(C)C)no2)CC1 ZINC000581786694 1078766640 /nfs/dbraw/zinc/76/66/40/1078766640.db2.gz ZCIIFIKYCXOZJN-QGZVFWFLSA-N 0 1 420.558 2.057 50 0 HEAAMN COCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)c3ccc(OC)cc23)CC[C@@H]1CO ZINC000581798860 1078769524 /nfs/dbraw/zinc/76/95/24/1078769524.db2.gz ABEGGHGNEFFFJD-OXQOHEQNSA-N 0 1 403.523 2.176 50 0 HEAAMN CC(C)NC(=O)N1CCOc2ccc(CCC(=O)N3CCN(C(C)C)CC3)cc2C1 ZINC000581800811 1078771180 /nfs/dbraw/zinc/77/11/80/1078771180.db2.gz ZUIPIIDOVXMJDG-UHFFFAOYSA-N 0 1 416.566 2.484 50 0 HEAAMN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000008004430 132326863 /nfs/dbraw/zinc/32/68/63/132326863.db2.gz OLMGKUJVBBWJSK-UHFFFAOYSA-N 0 1 407.518 2.081 50 0 HEAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000253483632 521847451 /nfs/dbraw/zinc/84/74/51/521847451.db2.gz OILDWJOAASVCNK-OEPMTFCVSA-N 0 1 414.462 2.383 50 0 HEAAMN C[C@@H](CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000045944576 524579545 /nfs/dbraw/zinc/57/95/45/524579545.db2.gz PUUOLZOHSQYWBC-IBGZPJMESA-N 0 1 415.559 2.303 50 0 HEAAMN O=C(NCCN1CCC(c2cccs2)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000077104303 526300494 /nfs/dbraw/zinc/30/04/94/526300494.db2.gz CTADDBMWFNKDGQ-UHFFFAOYSA-N 0 1 415.515 2.089 50 0 HEAAMN COc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000000624629 557021607 /nfs/dbraw/zinc/02/16/07/557021607.db2.gz JLLXYGAKFGAPDP-UHFFFAOYSA-N 0 1 424.280 2.449 50 0 HEAAMN Nc1nc(SCC(=O)N2CCCCCC2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000002712417 557746205 /nfs/dbraw/zinc/74/62/05/557746205.db2.gz UIJJTGOVIJFZFY-UHFFFAOYSA-N 0 1 407.521 2.161 50 0 HEAAMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCN(C)CC1 ZINC000022778567 557821481 /nfs/dbraw/zinc/82/14/81/557821481.db2.gz MDJZPSCFKGTYQN-QFIPXVFZSA-N 0 1 424.545 2.301 50 0 HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(F)cc2)CC1 ZINC000022795842 557822807 /nfs/dbraw/zinc/82/28/07/557822807.db2.gz HLQXYXOTOQAXAZ-FQEVSTJZSA-N 0 1 404.530 2.069 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1C ZINC000022796195 557822976 /nfs/dbraw/zinc/82/29/76/557822976.db2.gz ATVJZMBLZWFWSH-OAQYLSRUSA-N 0 1 412.509 2.486 50 0 HEAAMN CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019831146 558291486 /nfs/dbraw/zinc/29/14/86/558291486.db2.gz MBBSMWLJZQMQAR-UHFFFAOYSA-N 0 1 408.546 2.430 50 0 HEAAMN C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2 ZINC000011882004 558295557 /nfs/dbraw/zinc/29/55/57/558295557.db2.gz MZTUUUQFQXUXBI-KRWDZBQOSA-N 0 1 421.501 2.298 50 0 HEAAMN O=C(NCCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2)c1cccnc1 ZINC000011979405 558306147 /nfs/dbraw/zinc/30/61/47/558306147.db2.gz UFSFWCRPJOYQCK-VMPITWQZSA-N 0 1 402.502 2.217 50 0 HEAAMN O=C(NC[C@H]1COCCO1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012307909 558376424 /nfs/dbraw/zinc/37/64/24/558376424.db2.gz ORRWQWYIDLEFPW-FQEVSTJZSA-N 0 1 411.502 2.270 50 0 HEAAMN Cc1nc(C)c(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431750 558406105 /nfs/dbraw/zinc/40/61/05/558406105.db2.gz DPISDVKUWOCFRX-QGZVFWFLSA-N 0 1 406.494 2.228 50 0 HEAAMN Cn1c2ccc(CNCc3c(C(=O)N4CCCC4)nc4sccn34)cc2n(C)c1=O ZINC000012433470 558407342 /nfs/dbraw/zinc/40/73/42/558407342.db2.gz VIQQHRMBMBQGOG-UHFFFAOYSA-N 0 1 424.530 2.112 50 0 HEAAMN COc1cccc(OCc2cc(C(=O)N3CCN(Cc4ccccn4)CC3)[nH]n2)c1 ZINC000020877694 558419431 /nfs/dbraw/zinc/41/94/31/558419431.db2.gz DNOGQUSXMHSXFS-UHFFFAOYSA-N 0 1 407.474 2.350 50 0 HEAAMN COc1cccc(CNCc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012468857 558421275 /nfs/dbraw/zinc/42/12/75/558421275.db2.gz WQEPHWZSFMLQOK-FQEVSTJZSA-N 0 1 404.482 2.196 50 0 HEAAMN NC(=O)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013101040 558514392 /nfs/dbraw/zinc/51/43/92/558514392.db2.gz NPGXQEQPNPQNAZ-UHFFFAOYSA-N 0 1 417.274 2.401 50 0 HEAAMN COCCn1c(=O)cc(O)nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000013131288 558520152 /nfs/dbraw/zinc/52/01/52/558520152.db2.gz YFUFKSWZBIFWSR-UHFFFAOYSA-N 0 1 413.883 2.297 50 0 HEAAMN O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000013552420 558539337 /nfs/dbraw/zinc/53/93/37/558539337.db2.gz AKDISCOYIUVFNG-ZDUSSCGKSA-N 0 1 400.870 2.287 50 0 HEAAMN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375486 558554871 /nfs/dbraw/zinc/55/48/71/558554871.db2.gz JIAMZRYDJDPEOE-QGZVFWFLSA-N 0 1 405.495 2.162 50 0 HEAAMN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 ZINC000014539658 558659426 /nfs/dbraw/zinc/65/94/26/558659426.db2.gz JOMPWEWGDWXGHV-UHFFFAOYSA-N 0 1 411.506 2.248 50 0 HEAAMN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cccs1)CC2 ZINC000014966732 558686082 /nfs/dbraw/zinc/68/60/82/558686082.db2.gz WWJVKNOMCXSPBK-UHFFFAOYSA-N 0 1 413.522 2.438 50 0 HEAAMN COC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087018 558772685 /nfs/dbraw/zinc/77/26/85/558772685.db2.gz JEWBGQYMZCBVPN-YJYMSZOUSA-N 0 1 403.479 2.359 50 0 HEAAMN CCOc1ccc([C@H]2CC(=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2)cc1 ZINC000017043980 558812764 /nfs/dbraw/zinc/81/27/64/558812764.db2.gz FBZCIFFHRFHVGC-JLMFCZBYSA-N 0 1 406.442 2.361 50 0 HEAAMN NC(=O)C1CCN(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019369518 558877974 /nfs/dbraw/zinc/87/79/74/558877974.db2.gz GBYIONWGOHLWMT-UHFFFAOYSA-N 0 1 420.557 2.118 50 0 HEAAMN CC(C)n1cc[nH+]c1Cn1c2cc(C(=O)[O-])cnc2n(CCc2ccccn2)c1=O ZINC000055271690 558878396 /nfs/dbraw/zinc/87/83/96/558878396.db2.gz VKEHOBFMSHFVFE-UHFFFAOYSA-N 0 1 406.446 2.360 50 0 HEAAMN CC(=O)N1CCC(N(CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1 ZINC000057996182 558893662 /nfs/dbraw/zinc/89/36/62/558893662.db2.gz XNOKJYYVHPGUPX-UHFFFAOYSA-N 0 1 413.440 2.113 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1 ZINC000022101081 558992146 /nfs/dbraw/zinc/99/21/46/558992146.db2.gz ONLRMETVLUVAPM-UHFFFAOYSA-N 0 1 415.471 2.233 50 0 HEAAMN O=C(c1ncccc1O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077427817 559004869 /nfs/dbraw/zinc/00/48/69/559004869.db2.gz WYTWUCHLOYLNBM-UHFFFAOYSA-N 0 1 410.455 2.182 50 0 HEAAMN CCc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)s1 ZINC000095520714 559085151 /nfs/dbraw/zinc/08/51/51/559085151.db2.gz PLOWLZUCMWTIGJ-UHFFFAOYSA-N 0 1 402.520 2.196 50 0 HEAAMN COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O ZINC000205949109 559177987 /nfs/dbraw/zinc/17/79/87/559177987.db2.gz GBWDKNVMEHFLLX-ZDUSSCGKSA-N 0 1 414.414 2.126 50 0 HEAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000247914136 559249194 /nfs/dbraw/zinc/24/91/94/559249194.db2.gz AUAHBVQNGCBQOO-LPHOPBHVSA-N 0 1 407.474 2.216 50 0 HEAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005574897 560623382 /nfs/dbraw/zinc/62/33/82/560623382.db2.gz XDRCLOZXAWLPBR-UHFFFAOYSA-N 0 1 406.504 2.300 50 0 HEAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1)c1ccccc1 ZINC000049543990 568451273 /nfs/dbraw/zinc/45/12/73/568451273.db2.gz YLXBTJUVWFHKAD-IBGZPJMESA-N 0 1 419.485 2.009 50 0 HEAAMN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc21 ZINC000008074609 568490144 /nfs/dbraw/zinc/49/01/44/568490144.db2.gz YPSLSRGJRIEIGL-SFHVURJKSA-N 0 1 403.504 2.169 50 0 HEAAMN CC1=C(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O ZINC000020279356 568596633 /nfs/dbraw/zinc/59/66/33/568596633.db2.gz MTFXFHWNJDCBHK-UHFFFAOYSA-N 0 1 411.546 2.497 50 0 HEAAMN COc1ccc(CCc2nc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)n[nH]2)cc1OC ZINC000095473602 568628868 /nfs/dbraw/zinc/62/88/68/568628868.db2.gz DZIWECAVNKASDC-HNNXBMFYSA-N 0 1 415.494 2.050 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)n2)cc1OC ZINC000095473602 568628870 /nfs/dbraw/zinc/62/88/70/568628870.db2.gz DZIWECAVNKASDC-HNNXBMFYSA-N 0 1 415.494 2.050 50 0 HEAAMN COc1ccc(CCc2nc(NC(=O)Cn3nc4c(cc3=O)CCCCC4)n[nH]2)cc1 ZINC000095477252 568630969 /nfs/dbraw/zinc/63/09/69/568630969.db2.gz RLWQVZXKXBPUBD-UHFFFAOYSA-N 0 1 422.489 2.063 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)Cn3nc4c(cc3=O)CCCCC4)n2)cc1 ZINC000095477252 568630970 /nfs/dbraw/zinc/63/09/70/568630970.db2.gz RLWQVZXKXBPUBD-UHFFFAOYSA-N 0 1 422.489 2.063 50 0 HEAAMN CCN1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604649 568636309 /nfs/dbraw/zinc/63/63/09/568636309.db2.gz DGKRQOLBLRMHDH-JOCHJYFZSA-N 0 1 415.534 2.244 50 0 HEAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCCN1CCOCC1 ZINC000020643573 568638659 /nfs/dbraw/zinc/63/86/59/568638659.db2.gz MMLZQNCDNLURAB-UHFFFAOYSA-N 0 1 404.536 2.068 50 0 HEAAMN COC(=O)c1ccc(NS(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)cc1 ZINC000096102059 568691164 /nfs/dbraw/zinc/69/11/64/568691164.db2.gz SYDFZZQCVRZATG-UHFFFAOYSA-N 0 1 405.476 2.187 50 0 HEAAMN COc1ccc(OC)c(COC[C@H](O)CN2CCN(c3ccccc3OC)CC2)c1 ZINC000012420281 568720444 /nfs/dbraw/zinc/72/04/44/568720444.db2.gz OSVLEGSQOQWGGI-LJQANCHMSA-N 0 1 416.518 2.412 50 0 HEAAMN CCCS(=O)(=O)NC1CCN(C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000241862540 568731813 /nfs/dbraw/zinc/73/18/13/568731813.db2.gz SQYVHDIWHYMCPV-DNVCBOLYSA-N 0 1 401.573 2.037 50 0 HEAAMN Cc1ccn(C[C@@](C)(O)C(=O)Nc2cccc(CN3CCSCC3)c2C)c(=O)c1 ZINC000242346908 568732780 /nfs/dbraw/zinc/73/27/80/568732780.db2.gz ZKCCWABJCXBWJX-JOCHJYFZSA-N 0 1 415.559 2.404 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582646 568770627 /nfs/dbraw/zinc/77/06/27/568770627.db2.gz PZOXLNYOERLJQA-NRFANRHFSA-N 0 1 403.548 2.271 50 0 HEAAMN Cc1ccc(N2CCN(CCCNC(=O)c3nc(-c4cncnc4)no3)CC2)cc1C ZINC000029043008 568815614 /nfs/dbraw/zinc/81/56/14/568815614.db2.gz AWUDQZVZXLEYMK-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414230 568833255 /nfs/dbraw/zinc/83/32/55/568833255.db2.gz PQPSILUTOFINER-OAQYLSRUSA-N 0 1 406.486 2.290 50 0 HEAAMN COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057463939 568838408 /nfs/dbraw/zinc/83/84/08/568838408.db2.gz CPLYWWPWWQYOHJ-CKYIVDJDSA-N 0 1 415.877 2.494 50 0 HEAAMN NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000012525886 568842831 /nfs/dbraw/zinc/84/28/31/568842831.db2.gz JOAWZOJHLGHULX-UHFFFAOYSA-N 0 1 410.395 2.076 50 0 HEAAMN Cc1cnn(C)c1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299761859 568873320 /nfs/dbraw/zinc/87/33/20/568873320.db2.gz AXQGOESHEZJZAK-HXUWFJFHSA-N 0 1 416.497 2.138 50 0 HEAAMN Cc1nn(C)cc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299769428 568874156 /nfs/dbraw/zinc/87/41/56/568874156.db2.gz XLKZWCYRTZPKOJ-NRFANRHFSA-N 0 1 416.497 2.138 50 0 HEAAMN CS(=O)(=O)CCNC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000670435782 568875697 /nfs/dbraw/zinc/87/56/97/568875697.db2.gz WFLRZABRIXDCBU-UHFFFAOYSA-N 0 1 400.544 2.381 50 0 HEAAMN CC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003330248 568881849 /nfs/dbraw/zinc/88/18/49/568881849.db2.gz SYJWNNMJEFWNPX-UHFFFAOYSA-N 0 1 408.501 2.475 50 0 HEAAMN COC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204834 569003404 /nfs/dbraw/zinc/00/34/04/569003404.db2.gz QKHCVRKPIPEDKR-OAQYLSRUSA-N 0 1 424.476 2.429 50 0 HEAAMN COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000016033260 569027959 /nfs/dbraw/zinc/02/79/59/569027959.db2.gz CPLYWWPWWQYOHJ-TUULYGBASA-N 0 1 415.877 2.494 50 0 HEAAMN COCCn1c(CN2CCN3CCC[C@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000244778589 569055123 /nfs/dbraw/zinc/05/51/23/569055123.db2.gz PTICXFDQBOWNEO-IBGZPJMESA-N 0 1 424.611 2.164 50 0 HEAAMN CCCN1CCN(C(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)CC1 ZINC000064567203 569067317 /nfs/dbraw/zinc/06/73/17/569067317.db2.gz KDNOCWJXKRXBJQ-UHFFFAOYSA-N 0 1 424.545 2.343 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991524 569074580 /nfs/dbraw/zinc/07/45/80/569074580.db2.gz JFECVGFEUKDZFY-IBGZPJMESA-N 0 1 420.941 2.491 50 0 HEAAMN Cn1c2c(C(=O)NC3CCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836074 569104599 /nfs/dbraw/zinc/10/45/99/569104599.db2.gz QTPOKBYHZJTGGP-UHFFFAOYSA-N 0 1 405.502 2.264 50 0 HEAAMN CC(C)CCNC(=O)c1cnn2c1n(C)c1c(c2=O)CN(Cc2ccccc2)CC1 ZINC000064836106 569104608 /nfs/dbraw/zinc/10/46/08/569104608.db2.gz ZKTKVWZFZXIZSM-UHFFFAOYSA-N 0 1 407.518 2.367 50 0 HEAAMN Cc1cn2c3c(nc2n1C1CCCCC1)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000006804532 569131461 /nfs/dbraw/zinc/13/14/61/569131461.db2.gz WWSCEHDZRQWBSJ-UHFFFAOYSA-N 0 1 412.538 2.449 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2OC)C2CCN(C)CC2)c[nH]1 ZINC000007007049 569199886 /nfs/dbraw/zinc/19/98/86/569199886.db2.gz WZFPUSGZXQYANJ-UHFFFAOYSA-N 0 1 421.519 2.095 50 0 HEAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000036595014 569204525 /nfs/dbraw/zinc/20/45/25/569204525.db2.gz FHIWAZQJPMPGNS-DNVCBOLYSA-N 0 1 414.462 2.383 50 0 HEAAMN Cc1cc(=O)c(C(=O)NC2(c3nnc[nH]3)CCC2)nn1-c1ccccc1C(F)(F)F ZINC000170606216 569244414 /nfs/dbraw/zinc/24/44/14/569244414.db2.gz JMQWUENKVOCORZ-UHFFFAOYSA-N 0 1 418.379 2.487 50 0 HEAAMN O=C(COc1ccccc1)NCC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000089851297 569267276 /nfs/dbraw/zinc/26/72/76/569267276.db2.gz CLJAIHWMUUQIMM-SFHVURJKSA-N 0 1 405.458 2.330 50 0 HEAAMN O=C(COc1ccccc1)NCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000089851297 569267277 /nfs/dbraw/zinc/26/72/77/569267277.db2.gz CLJAIHWMUUQIMM-SFHVURJKSA-N 0 1 405.458 2.330 50 0 HEAAMN C/C(=C1/C(=O)NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C1=O)N(C)C ZINC000012338642 569400446 /nfs/dbraw/zinc/40/04/46/569400446.db2.gz DBNJKEQMPRYWHL-DHZHZOJOSA-N 0 1 419.791 2.080 50 0 HEAAMN Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cn21 ZINC000007942578 569402052 /nfs/dbraw/zinc/40/20/52/569402052.db2.gz UASBBFLCFDGBKI-UHFFFAOYSA-N 0 1 408.443 2.486 50 0 HEAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 ZINC000013061648 569408298 /nfs/dbraw/zinc/40/82/98/569408298.db2.gz SHQZKTILRCECMB-SNVBAGLBSA-N 0 1 412.851 2.180 50 0 HEAAMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2ccncc2O)C1 ZINC000079054639 569425800 /nfs/dbraw/zinc/42/58/00/569425800.db2.gz VGYUSPOLLCXJHO-NSHDSACASA-N 0 1 405.252 2.436 50 0 HEAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008695446 571102661 /nfs/dbraw/zinc/10/26/61/571102661.db2.gz VBSJTKKSKXYAHT-PGRDOPGGSA-N 0 1 421.409 2.286 50 0 HEAAMN C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000008725716 571108250 /nfs/dbraw/zinc/10/82/50/571108250.db2.gz XVYBOKNFXWRJTE-GFCCVEGCSA-N 0 1 416.488 2.187 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000040071019 571151678 /nfs/dbraw/zinc/15/16/78/571151678.db2.gz HGLAQTAOYCZVRG-KZNAEPCWSA-N 0 1 421.563 2.449 50 0 HEAAMN Cc1ccc(-c2nnc(CCC(=O)NCc3ccnc(N4CCN(C)CC4)c3)o2)cc1 ZINC000040118608 571174788 /nfs/dbraw/zinc/17/47/88/571174788.db2.gz ZSSAIWCJKXXAQG-UHFFFAOYSA-N 0 1 420.517 2.441 50 0 HEAAMN Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 ZINC000069923061 571249853 /nfs/dbraw/zinc/24/98/53/571249853.db2.gz WWEDLNBHBPMMOW-UHFFFAOYSA-N 0 1 418.501 2.001 50 0 HEAAMN COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375889 571252820 /nfs/dbraw/zinc/25/28/20/571252820.db2.gz UXJURBLTFIKWAG-QGZVFWFLSA-N 0 1 419.474 2.371 50 0 HEAAMN C[C@H](Sc1nncs1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000009664364 571277901 /nfs/dbraw/zinc/27/79/01/571277901.db2.gz YGHOKRQJLJOXTI-JTQLQIEISA-N 0 1 422.517 2.248 50 0 HEAAMN CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000009946665 571291271 /nfs/dbraw/zinc/29/12/71/571291271.db2.gz NFSRPIKMHUEGFU-MRXNPFEDSA-N 0 1 407.561 2.437 50 0 HEAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101246 571311559 /nfs/dbraw/zinc/31/15/59/571311559.db2.gz DGXADWONQBGMIF-UHFFFAOYSA-N 0 1 418.432 2.462 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)c2cc(N3CCOCC3)ccn2)N2CCCC2)cc1 ZINC000008704896 132332239 /nfs/dbraw/zinc/33/22/39/132332239.db2.gz SAFGPPUJONQZSD-JOCHJYFZSA-N 0 1 410.518 2.494 50 0 HEAAMN CCOC(=O)[C@@H](C(=O)CN1CCN(c2cccc(OC)c2)CC1)c1nc(C)cs1 ZINC000009589152 132341443 /nfs/dbraw/zinc/34/14/43/132341443.db2.gz KKDKFEZPGQPCRL-IBGZPJMESA-N 0 1 417.531 2.498 50 0 HEAAMN O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011698036 132350188 /nfs/dbraw/zinc/35/01/88/132350188.db2.gz DYJPVEGNYQWEFT-UHFFFAOYSA-N 0 1 414.466 2.265 50 0 HEAAMN O=C(NCCN1CCCCC1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000015074096 132461260 /nfs/dbraw/zinc/46/12/60/132461260.db2.gz FPJOLJDEPXANGM-UHFFFAOYSA-N 0 1 415.513 2.352 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN2CCN3CCC[C@@H]3C2)n1CCc1ccccc1 ZINC000020538809 521694708 /nfs/dbraw/zinc/69/47/08/521694708.db2.gz JNCHFZCFWKARFZ-LJQANCHMSA-N 0 1 402.564 2.199 50 0 HEAAMN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)c1 ZINC000045974200 524186643 /nfs/dbraw/zinc/18/66/43/524186643.db2.gz XXIJGPDNQGDDTP-UHFFFAOYSA-N 0 1 407.580 2.449 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCC2)cc1C ZINC000045974576 524314712 /nfs/dbraw/zinc/31/47/12/524314712.db2.gz GVYMCXFSRCMQEK-UHFFFAOYSA-N 0 1 407.580 2.367 50 0 HEAAMN COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000045944087 525012843 /nfs/dbraw/zinc/01/28/43/525012843.db2.gz AGXNMJXJEZTWOM-UHFFFAOYSA-N 0 1 423.579 2.231 50 0 HEAAMN CC(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)N1CCN(C)CC1 ZINC000097324292 557270021 /nfs/dbraw/zinc/27/00/21/557270021.db2.gz NLXGXLPGUNMASX-LBPRGKRZSA-N 0 1 410.403 2.061 50 0 HEAAMN CC(C)OC[C@@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 ZINC000034667998 557361305 /nfs/dbraw/zinc/36/13/05/557361305.db2.gz XITDLXZSXRDMHY-SFHVURJKSA-N 0 1 416.497 2.381 50 0 HEAAMN COc1ccc(Br)cc1CN1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000004744847 557591686 /nfs/dbraw/zinc/59/16/86/557591686.db2.gz UEMHXSNZQCJLMS-OAHLLOKOSA-N 0 1 410.356 2.444 50 0 HEAAMN C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1)c1ccccc1 ZINC000022778676 557821369 /nfs/dbraw/zinc/82/13/69/557821369.db2.gz YXXZAANTXFBFKZ-UWJYYQICSA-N 0 1 412.509 2.108 50 0 HEAAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 ZINC000022796222 557822987 /nfs/dbraw/zinc/82/29/87/557822987.db2.gz ABWNZTLBMLSMHY-NRFANRHFSA-N 0 1 412.509 2.486 50 0 HEAAMN COCCCn1c(CN(C)Cc2cc(C)[nH]n2)cnc1S(=O)(=O)C1CCCC1 ZINC000011934145 558298578 /nfs/dbraw/zinc/29/85/78/558298578.db2.gz GQUYWMJOISRQBK-UHFFFAOYSA-N 0 1 409.556 2.299 50 0 HEAAMN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020069293 558330625 /nfs/dbraw/zinc/33/06/25/558330625.db2.gz RDHWUXZCBWELNX-HXUWFJFHSA-N 0 1 400.523 2.112 50 0 HEAAMN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNC[C@@H]1CCCO1 ZINC000012135195 558333518 /nfs/dbraw/zinc/33/35/18/558333518.db2.gz VQKAFPJGNFNQRZ-HNNXBMFYSA-N 0 1 410.474 2.170 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283522 558353700 /nfs/dbraw/zinc/35/37/00/558353700.db2.gz PTJPAGULZLVAHF-NRFANRHFSA-N 0 1 421.501 2.075 50 0 HEAAMN COc1ccc2nc(CCNC(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)[nH]c2c1 ZINC000012218232 558354616 /nfs/dbraw/zinc/35/46/16/558354616.db2.gz UKCVUTOQXRRIPE-QFIPXVFZSA-N 0 1 410.474 2.495 50 0 HEAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C[C@@H]1CCC(=O)N1 ZINC000012227826 558357330 /nfs/dbraw/zinc/35/73/30/558357330.db2.gz ZYHLVVXPIDJVJI-IBGZPJMESA-N 0 1 405.514 2.181 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000020654224 558397770 /nfs/dbraw/zinc/39/77/70/558397770.db2.gz YDPLDERQMDGTAR-GOSISDBHSA-N 0 1 406.914 2.149 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C ZINC000020785647 558413894 /nfs/dbraw/zinc/41/38/94/558413894.db2.gz XABNFZSALBXSDV-OAHLLOKOSA-N 0 1 413.522 2.249 50 0 HEAAMN Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1N ZINC000023006350 558529913 /nfs/dbraw/zinc/52/99/13/558529913.db2.gz RXGILJIHEQRTKS-MRXNPFEDSA-N 0 1 412.519 2.043 50 0 HEAAMN Cn1ncc2c1ncnc2N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000025072400 558630351 /nfs/dbraw/zinc/63/03/51/558630351.db2.gz DJNVCCNCKZQDBV-UHFFFAOYSA-N 0 1 417.311 2.327 50 0 HEAAMN CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014961709 558684270 /nfs/dbraw/zinc/68/42/70/558684270.db2.gz LDFSSUVGKDCHEX-OAHLLOKOSA-N 0 1 422.489 2.379 50 0 HEAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035421844 558791123 /nfs/dbraw/zinc/79/11/23/558791123.db2.gz OQMNJGGABZSYGK-UHFFFAOYSA-N 0 1 417.456 2.438 50 0 HEAAMN CCOc1ccc([C@@H]2CC(=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2)cc1 ZINC000017043976 558812812 /nfs/dbraw/zinc/81/28/12/558812812.db2.gz FBZCIFFHRFHVGC-NSURYPBFSA-N 0 1 406.442 2.361 50 0 HEAAMN CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000060370497 558890648 /nfs/dbraw/zinc/89/06/48/558890648.db2.gz QZLYRMQVTKNLTO-LYBXBRPPSA-N 0 1 407.580 2.265 50 0 HEAAMN CSCCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[nH]c1C ZINC000004632331 558944683 /nfs/dbraw/zinc/94/46/83/558944683.db2.gz RZHFTEXMKCLBQJ-UHFFFAOYSA-N 0 1 400.551 2.002 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 ZINC000064800694 558966069 /nfs/dbraw/zinc/96/60/69/558966069.db2.gz YLBLCZFRIBYJSR-UHFFFAOYSA-N 0 1 405.524 2.045 50 0 HEAAMN Cc1ccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000065363803 558975012 /nfs/dbraw/zinc/97/50/12/558975012.db2.gz DAHDVAQCHDXDQP-UHFFFAOYSA-N 0 1 416.547 2.152 50 0 HEAAMN Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C ZINC000091625720 559072415 /nfs/dbraw/zinc/07/24/15/559072415.db2.gz UWUZEMXMJHPLSR-GOSISDBHSA-N 0 1 402.539 2.369 50 0 HEAAMN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)c(OC)c1 ZINC000095522680 559085643 /nfs/dbraw/zinc/08/56/43/559085643.db2.gz PFMHLEARTXDJCV-HNNXBMFYSA-N 0 1 400.479 2.376 50 0 HEAAMN O=C(c1n[nH]c2ccccc21)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095530951 559086793 /nfs/dbraw/zinc/08/67/93/559086793.db2.gz DZRRHCRDZNUNLG-UHFFFAOYSA-N 0 1 404.474 2.212 50 0 HEAAMN CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(C)cc3)c(C(N)=O)n2)c1O ZINC000005151732 559253999 /nfs/dbraw/zinc/25/39/99/559253999.db2.gz MMNIKDGVHWQHPG-UHFFFAOYSA-N 0 1 405.414 2.287 50 0 HEAAMN O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCO2 ZINC000206847841 560749366 /nfs/dbraw/zinc/74/93/66/560749366.db2.gz FSEDVNPCEWBHTM-INIZCTEOSA-N 0 1 413.455 2.459 50 0 HEAAMN Cc1oc2c(c1C(=O)NCCCN1CCN(c3ccccc3)CC1)C1=NCCN1C=N2 ZINC000102504697 560812754 /nfs/dbraw/zinc/81/27/54/560812754.db2.gz IHIWZOQPJJDMKF-UHFFFAOYSA-N 0 1 420.517 2.266 50 0 HEAAMN COc1cc(CCC(=O)N2CCC(CN3CCOCC3)CC2)cc(OC)c1OC ZINC000047423062 560886876 /nfs/dbraw/zinc/88/68/76/560886876.db2.gz YGLJCQGONODNMN-UHFFFAOYSA-N 0 1 406.523 2.216 50 0 HEAAMN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1O ZINC000031809732 568505518 /nfs/dbraw/zinc/50/55/18/568505518.db2.gz KPBXEYPRONFEFK-INIZCTEOSA-N 0 1 423.458 2.336 50 0 HEAAMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N([C@H](C)C1CC1)C1CC1 ZINC000095445227 568611613 /nfs/dbraw/zinc/61/16/13/568611613.db2.gz QOBWYTAAOXKNJX-GFCCVEGCSA-N 0 1 402.538 2.408 50 0 HEAAMN CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2N(C)C)c(OC)c1 ZINC000095445269 568611736 /nfs/dbraw/zinc/61/17/36/568611736.db2.gz IXDTWYWGWDMTEL-UHFFFAOYSA-N 0 1 413.521 2.324 50 0 HEAAMN Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3)s2)cc1 ZINC000020486116 568613193 /nfs/dbraw/zinc/61/31/93/568613193.db2.gz PIWVECLONRDHAR-UHFFFAOYSA-N 0 1 418.500 2.343 50 0 HEAAMN CCOc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1OC ZINC000020921824 568651048 /nfs/dbraw/zinc/65/10/48/568651048.db2.gz QHQNLCPYNBAAHU-UHFFFAOYSA-N 0 1 423.516 2.259 50 0 HEAAMN O=C(c1cc(-c2cccc(F)c2)[nH]n1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000096097171 568689659 /nfs/dbraw/zinc/68/96/59/568689659.db2.gz UAJGBINKHRCDBW-UHFFFAOYSA-N 0 1 406.417 2.270 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324876 568734667 /nfs/dbraw/zinc/73/46/67/568734667.db2.gz UZVOTOVXQKHWLJ-UHFFFAOYSA-N 0 1 418.457 2.028 50 0 HEAAMN C[C@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc2c(c1)OCCO2 ZINC000021661331 568736088 /nfs/dbraw/zinc/73/60/88/568736088.db2.gz ISKXBVMUYFMRGR-ZDUSSCGKSA-N 0 1 415.471 2.437 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414276 568833376 /nfs/dbraw/zinc/83/33/76/568833376.db2.gz QIYAAPVJXXHCJI-NRFANRHFSA-N 0 1 424.476 2.429 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414231 568833388 /nfs/dbraw/zinc/83/33/88/568833388.db2.gz PQPSILUTOFINER-NRFANRHFSA-N 0 1 406.486 2.290 50 0 HEAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012542412 568848928 /nfs/dbraw/zinc/84/89/28/568848928.db2.gz CFHYZEALTXOUJH-UHFFFAOYSA-N 0 1 416.547 2.249 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC000030515902 568868501 /nfs/dbraw/zinc/86/85/01/568868501.db2.gz KAHQGPSEDFTCRS-UHFFFAOYSA-N 0 1 424.910 2.484 50 0 HEAAMN CCCCN1CCn2nc(CNC(=O)N3CCC[C@H](c4nnc(C)[nH]4)C3)cc2C1 ZINC000534647349 568878819 /nfs/dbraw/zinc/87/88/19/568878819.db2.gz HYKJRZDCSNFLFB-INIZCTEOSA-N 0 1 400.531 2.015 50 0 HEAAMN CN(CCN1CCCC1=O)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000083860897 568921336 /nfs/dbraw/zinc/92/13/36/568921336.db2.gz BPBSWETVOXNDIV-LJQANCHMSA-N 0 1 406.958 2.147 50 0 HEAAMN NC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccccc3F)CC2)cs1 ZINC000015731439 568981904 /nfs/dbraw/zinc/98/19/04/568981904.db2.gz SDIJHAZYVDLTEU-UHFFFAOYSA-N 0 1 411.524 2.177 50 0 HEAAMN Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)Cc1ccc(F)cc1 ZINC000015862680 569015958 /nfs/dbraw/zinc/01/59/58/569015958.db2.gz NRNYAIJEKAXMFV-UHFFFAOYSA-N 0 1 419.522 2.147 50 0 HEAAMN Cc1[nH]ncc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423370 569036344 /nfs/dbraw/zinc/03/63/44/569036344.db2.gz XVJLFSDPGJEUGV-UHFFFAOYSA-N 0 1 402.414 2.252 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)CSc2nnnn2C2CC2)N2CCCCC2)cc1 ZINC000013021567 569051185 /nfs/dbraw/zinc/05/11/85/569051185.db2.gz FAQXUJIQRKWHMB-GOSISDBHSA-N 0 1 416.551 2.452 50 0 HEAAMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000006533270 569064281 /nfs/dbraw/zinc/06/42/81/569064281.db2.gz QSRSZUTWXFDMOP-UHFFFAOYSA-N 0 1 417.413 2.416 50 0 HEAAMN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000016694633 569070727 /nfs/dbraw/zinc/07/07/27/569070727.db2.gz GGMIAVRJOUKHHI-HXUWFJFHSA-N 0 1 401.532 2.002 50 0 HEAAMN CCCCN1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000064761498 569091954 /nfs/dbraw/zinc/09/19/54/569091954.db2.gz UQYGMUBKGWOQBL-IBGZPJMESA-N 0 1 417.550 2.039 50 0 HEAAMN Cn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836062 569104527 /nfs/dbraw/zinc/10/45/27/569104527.db2.gz OQYXCKGQNCBOMV-UHFFFAOYSA-N 0 1 414.469 2.239 50 0 HEAAMN COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)cc(OC)c1 ZINC000064922066 569122220 /nfs/dbraw/zinc/12/22/20/569122220.db2.gz FDUIZXWHZIJARZ-UHFFFAOYSA-N 0 1 407.492 2.388 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1C ZINC000064923082 569122653 /nfs/dbraw/zinc/12/26/53/569122653.db2.gz OFXIHKPQLVLESA-UHFFFAOYSA-N 0 1 405.520 2.063 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000064969584 569138158 /nfs/dbraw/zinc/13/81/58/569138158.db2.gz AGQNAZAXXWAABE-UHFFFAOYSA-N 0 1 406.439 2.149 50 0 HEAAMN O=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CCN(C2CCCCC2)CC1 ZINC000169769018 569167256 /nfs/dbraw/zinc/16/72/56/569167256.db2.gz HMQTYAOAJJECGE-UHFFFAOYSA-N 0 1 406.490 2.175 50 0 HEAAMN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000169772652 569171893 /nfs/dbraw/zinc/17/18/93/569171893.db2.gz WYQCAUHMWUSOGB-MRXNPFEDSA-N 0 1 410.478 2.397 50 0 HEAAMN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000169772652 569171895 /nfs/dbraw/zinc/17/18/95/569171895.db2.gz WYQCAUHMWUSOGB-MRXNPFEDSA-N 0 1 410.478 2.397 50 0 HEAAMN Cc1cc(NC(=O)CSCC(=O)N2CCCN(Cc3ccccc3)CC2)no1 ZINC000036664464 569217334 /nfs/dbraw/zinc/21/73/34/569217334.db2.gz QJQUDJNSQXDQHU-UHFFFAOYSA-N 0 1 402.520 2.389 50 0 HEAAMN O=C(c1[nH]nc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000007327730 569233719 /nfs/dbraw/zinc/23/37/19/569233719.db2.gz SXPBAMLRCKNZNE-UHFFFAOYSA-N 0 1 410.499 2.198 50 0 HEAAMN O=C(Cn1c(=O)oc2ccc(NC(=O)[C@@H]3CCCc4cn[nH]c43)cc21)N1CCCCC1 ZINC000089807353 569266306 /nfs/dbraw/zinc/26/63/06/569266306.db2.gz GFBMTTGUEVMYJW-MRXNPFEDSA-N 0 1 423.473 2.389 50 0 HEAAMN COc1ccc(Cn2c(=O)[nH]c(=O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2[O-])cc1 ZINC000016956696 569268441 /nfs/dbraw/zinc/26/84/41/569268441.db2.gz UDSNPDRITUGCKL-HXUWFJFHSA-N 0 1 418.453 2.016 50 0 biogenic HEAAMN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)cc1OC ZINC000016959999 569268969 /nfs/dbraw/zinc/26/89/69/569268969.db2.gz TUTXHOWYODSILU-UHFFFAOYSA-N 0 1 415.490 2.499 50 0 HEAAMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000253416711 569367297 /nfs/dbraw/zinc/36/72/97/569367297.db2.gz IIMYXTXHGKDYDO-CQSZACIVSA-N 0 1 403.240 2.171 50 0 HEAAMN CCN(CC)[C@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000079070779 569426740 /nfs/dbraw/zinc/42/67/40/569426740.db2.gz JDSQWUMITLOILU-INIZCTEOSA-N 0 1 421.485 2.500 50 0 HEAAMN COc1ccc(CCc2nnc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)[nH]2)cc1OC ZINC000079478392 569431628 /nfs/dbraw/zinc/43/16/28/569431628.db2.gz NNPOTLTYNHGODU-INIZCTEOSA-N 0 1 421.457 2.420 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)C[C@@H]3NC(=O)c4ccccc43)n2)cc1OC ZINC000079478392 569431629 /nfs/dbraw/zinc/43/16/29/569431629.db2.gz NNPOTLTYNHGODU-INIZCTEOSA-N 0 1 421.457 2.420 50 0 HEAAMN C[C@H](Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000008725715 571108205 /nfs/dbraw/zinc/10/82/05/571108205.db2.gz XVYBOKNFXWRJTE-LBPRGKRZSA-N 0 1 416.488 2.187 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000040071017 571151724 /nfs/dbraw/zinc/15/17/24/571151724.db2.gz HGLAQTAOYCZVRG-RCCFBDPRSA-N 0 1 421.563 2.449 50 0 HEAAMN Cc1ccc2c([n-]cc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c2=O)[nH+]1 ZINC000040122817 571178510 /nfs/dbraw/zinc/17/85/10/571178510.db2.gz GZXYVYDSGRQFMN-UHFFFAOYSA-N 0 1 404.470 2.400 50 0 HEAAMN O=C([C@@H]1CCCO1)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244983834 571211469 /nfs/dbraw/zinc/21/14/69/571211469.db2.gz ISRXKEHCIJUSTB-KRWDZBQOSA-N 0 1 412.456 2.392 50 0 HEAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1 ZINC000009685223 571279857 /nfs/dbraw/zinc/27/98/57/571279857.db2.gz QUOAHKUCNLXNKO-UHFFFAOYSA-N 0 1 419.503 2.118 50 0 HEAAMN O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000077196711 571312466 /nfs/dbraw/zinc/31/24/66/571312466.db2.gz FMMULAUJBLNLFI-UHFFFAOYSA-N 0 1 404.370 2.013 50 0 HEAAMN O=c1n(CCNS(=O)(=O)c2c(F)cccc2F)nc(C2CC2)n1-c1ccccc1 ZINC000077198181 571312682 /nfs/dbraw/zinc/31/26/82/571312682.db2.gz MKBHBLUBVIQJCV-UHFFFAOYSA-N 0 1 420.441 2.168 50 0 HEAAMN CCCN1CCN(C(=O)CCc2ccc3c(c2)CN(C(=O)NC(C)C)CCO3)CC1 ZINC000581800055 1078770404 /nfs/dbraw/zinc/77/04/04/1078770404.db2.gz LNIIBRRDZUIQQW-UHFFFAOYSA-N 0 1 416.566 2.486 50 0 HEAAMN O=C1[C@@H]2CCCN2C(=O)N1CCCN1CCN(c2cccc(Br)c2)CC1 ZINC000000633299 132229526 /nfs/dbraw/zinc/22/95/26/132229526.db2.gz FLFUCNSCWFDBOS-KRWDZBQOSA-N 0 1 421.339 2.388 50 0 HEAAMN COc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000002183633 132249111 /nfs/dbraw/zinc/24/91/11/132249111.db2.gz NMXMKHRTIDKBIR-LJQANCHMSA-N 0 1 400.523 2.414 50 0 HEAAMN Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N=C3[O-])c(=O)n2c1 ZINC000012377931 132359245 /nfs/dbraw/zinc/35/92/45/132359245.db2.gz BMQATAJIOYXADH-LCYFTJDESA-N 0 1 401.517 2.084 50 0 HEAAMN COc1cc(C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc(OC)c1OC ZINC000022765413 522119638 /nfs/dbraw/zinc/11/96/38/522119638.db2.gz UFGDHJWDWMNWQL-QGZVFWFLSA-N 0 1 419.547 2.492 50 0 HEAAMN CCc1sc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1C ZINC000032753151 523069637 /nfs/dbraw/zinc/06/96/37/523069637.db2.gz YIZBSBCGCNRSFY-UHFFFAOYSA-N 0 1 410.517 2.487 50 0 HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000032124005 523910357 /nfs/dbraw/zinc/91/03/57/523910357.db2.gz PFWFDYWHPFKBKC-AZUAARDMSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000032932344 527300055 /nfs/dbraw/zinc/30/00/55/527300055.db2.gz XUZWGKOVPDRHQY-UHFFFAOYSA-N 0 1 411.383 2.001 50 0 HEAAMN COc1ccccc1[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)N1CCCC1 ZINC000006084812 557016949 /nfs/dbraw/zinc/01/69/49/557016949.db2.gz JHKBGYPXTMVNPC-PMACEKPBSA-N 0 1 410.518 2.228 50 0 HEAAMN C[C@H]1CN(C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C[C@H](C)O1 ZINC000005041576 557628621 /nfs/dbraw/zinc/62/86/21/557628621.db2.gz LLIVUENUKHJEGG-STQMWFEESA-N 0 1 407.521 2.083 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1C ZINC000022783079 557819687 /nfs/dbraw/zinc/81/96/87/557819687.db2.gz RHWOOXMWTARDMM-FQEVSTJZSA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1C ZINC000022783084 557819893 /nfs/dbraw/zinc/81/98/93/557819893.db2.gz RHWOOXMWTARDMM-HXUWFJFHSA-N 0 1 421.538 2.410 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CCN(C)CC2)cc1 ZINC000022778552 557821408 /nfs/dbraw/zinc/82/14/08/557821408.db2.gz VARYJVLEIDXWDK-OAQYLSRUSA-N 0 1 424.545 2.355 50 0 HEAAMN COC(=O)c1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840046 558293670 /nfs/dbraw/zinc/29/36/70/558293670.db2.gz LSKDLPFFGQNYGZ-IBGZPJMESA-N 0 1 413.522 2.346 50 0 HEAAMN O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2ncccn2)CC1)[C@H]1CCOC1 ZINC000011933229 558297923 /nfs/dbraw/zinc/29/79/23/558297923.db2.gz HXBBDBCKJKNRBG-KRWDZBQOSA-N 0 1 421.505 2.276 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-n3cnnn3)ccc2Cl)c1 ZINC000020427194 558362503 /nfs/dbraw/zinc/36/25/03/558362503.db2.gz FBLAWPGQEOYRCC-UHFFFAOYSA-N 0 1 407.839 2.067 50 0 HEAAMN CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020517990 558383067 /nfs/dbraw/zinc/38/30/67/558383067.db2.gz BBJAVEZXMFGKFY-KEXUJGGDSA-N 0 1 407.445 2.402 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(C)C ZINC000020744916 558409743 /nfs/dbraw/zinc/40/97/43/558409743.db2.gz PGZQQTBKKRSXFC-WMZOPIPTSA-N 0 1 404.442 2.412 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020993602 558426251 /nfs/dbraw/zinc/42/62/51/558426251.db2.gz UJRKOXRSRJGQKX-INIZCTEOSA-N 0 1 415.538 2.495 50 0 HEAAMN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000013570351 558541931 /nfs/dbraw/zinc/54/19/31/558541931.db2.gz FRAZFPIJGKKHOU-UHFFFAOYSA-N 0 1 414.853 2.268 50 0 HEAAMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000013573822 558543110 /nfs/dbraw/zinc/54/31/10/558543110.db2.gz WDEINBOUOXDXJQ-FDGPYGQJSA-N 0 1 401.466 2.156 50 0 HEAAMN CN1CCC2(CC1)OCCN2C(=O)c1cc(=O)c2ccc(Br)cc2o1 ZINC000013690995 558572918 /nfs/dbraw/zinc/57/29/18/558572918.db2.gz DCNGSHJKYCIGQI-UHFFFAOYSA-N 0 1 407.264 2.450 50 0 HEAAMN COc1ccc(CN(Cc2cccs2)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000023763667 558575231 /nfs/dbraw/zinc/57/52/31/558575231.db2.gz VFURRMWBZJXWIJ-SFHVURJKSA-N 0 1 406.548 2.461 50 0 HEAAMN CCOC(=O)C1C(Cn2nnc(-c3ccccc3)n2)=NC(=O)N[C@H]1c1ccccc1 ZINC000014129595 558623953 /nfs/dbraw/zinc/62/39/53/558623953.db2.gz XRKCHIBESCQPGZ-SFHVURJKSA-N 0 1 404.430 2.211 50 0 HEAAMN CCCNC(=O)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025230767 558635318 /nfs/dbraw/zinc/63/53/18/558635318.db2.gz WTTZYINTBIIMSK-IBGZPJMESA-N 0 1 408.546 2.299 50 0 HEAAMN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccsc1 ZINC000025330768 558638694 /nfs/dbraw/zinc/63/86/94/558638694.db2.gz PFXWOFPTQXRQCR-SFHVURJKSA-N 0 1 407.561 2.493 50 0 HEAAMN O=C(Nc1ccc(N2CCOCC2)nc1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000014810122 558673734 /nfs/dbraw/zinc/67/37/34/558673734.db2.gz FXNFJZOFRZOILE-UHFFFAOYSA-N 0 1 407.430 2.332 50 0 HEAAMN COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000014887409 558677804 /nfs/dbraw/zinc/67/78/04/558677804.db2.gz SSOHMWBFLAGTGG-UHFFFAOYSA-N 0 1 423.492 2.457 50 0 HEAAMN CCc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1 ZINC000015001546 558697961 /nfs/dbraw/zinc/69/79/61/558697961.db2.gz ZPFALSXNKUKEAE-UHFFFAOYSA-N 0 1 423.517 2.230 50 0 HEAAMN O=c1c2ccccc2[nH]c(=S)n1Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000028961869 558708058 /nfs/dbraw/zinc/70/80/58/558708058.db2.gz CSCHTTFQVJZHKZ-UHFFFAOYSA-N 0 1 423.541 2.190 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cc1 ZINC000015074122 558714758 /nfs/dbraw/zinc/71/47/58/558714758.db2.gz BEQODJHEOAPXKB-FQEVSTJZSA-N 0 1 416.547 2.368 50 0 HEAAMN COc1cccc(CNCc2ccccc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000015075034 558715575 /nfs/dbraw/zinc/71/55/75/558715575.db2.gz INWBGCHXCZDUOE-NRFANRHFSA-N 0 1 400.519 2.365 50 0 HEAAMN COc1ccc2c(c1)C[C@H](C(=O)NCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938003 558728181 /nfs/dbraw/zinc/72/81/81/558728181.db2.gz OBLFXDPEFQREJV-NRFANRHFSA-N 0 1 409.530 2.180 50 0 HEAAMN CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022255 558768113 /nfs/dbraw/zinc/76/81/13/558768113.db2.gz KZZWSFLSIRDUQY-LDNFRZNASA-N 0 1 405.495 2.098 50 0 HEAAMN CC(C)[C@H](NC(=O)CN1CCN(CCCCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000072308783 558771025 /nfs/dbraw/zinc/77/10/25/558771025.db2.gz GUZCLJFXEOUDHR-QHCPKHFHSA-N 0 1 419.566 2.051 50 0 HEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCc5ccccc54)n3)c(C)n2)CC1 ZINC000036235753 558798471 /nfs/dbraw/zinc/79/84/71/558798471.db2.gz QXBZPEKSTYJMEY-UHFFFAOYSA-N 0 1 417.517 2.371 50 0 HEAAMN CCCN1CCN(C(=O)Cn2c(C)ccc(NC(=O)c3ccc(C)cc3)c2=O)CC1 ZINC000097938374 558824692 /nfs/dbraw/zinc/82/46/92/558824692.db2.gz LRYJFHWUIPTLHT-UHFFFAOYSA-N 0 1 410.518 2.272 50 0 HEAAMN CCN1CCN(c2nccc(-c3cnc4nc(-c5ccncc5)nn4c3C)n2)CC1 ZINC000054202027 558866684 /nfs/dbraw/zinc/86/66/84/558866684.db2.gz FMHREGSREOSXEN-UHFFFAOYSA-N 0 1 401.478 2.094 50 0 HEAAMN NC(=O)CCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055227013 558876778 /nfs/dbraw/zinc/87/67/78/558876778.db2.gz REXQKOBCMSFUKJ-KRWDZBQOSA-N 0 1 412.456 2.084 50 0 HEAAMN CN1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccc(F)cc2F)CC1 ZINC000058168304 558907642 /nfs/dbraw/zinc/90/76/42/558907642.db2.gz BYMNEDRLAOGHJP-NRFANRHFSA-N 0 1 418.488 2.245 50 0 HEAAMN O=C(NCCCN1CCN(CCCNC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000019690767 558960105 /nfs/dbraw/zinc/96/01/05/558960105.db2.gz VKLRYNRORSWXRK-UHFFFAOYSA-N 0 1 408.546 2.244 50 0 HEAAMN CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(C)cc2)cc1 ZINC000065314931 558970876 /nfs/dbraw/zinc/97/08/76/558970876.db2.gz HPERYHIOLSKPNF-UHFFFAOYSA-N 0 1 422.529 2.418 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(N2CCOCC2)n1 ZINC000065362301 558972990 /nfs/dbraw/zinc/97/29/90/558972990.db2.gz OIYVCEQRJMSFJO-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)n1 ZINC000065362954 558973952 /nfs/dbraw/zinc/97/39/52/558973952.db2.gz UONKGMNNZQWOEG-UHFFFAOYSA-N 0 1 423.489 2.174 50 0 HEAAMN Cc1ccccc1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000067629752 558990279 /nfs/dbraw/zinc/99/02/79/558990279.db2.gz XBYNBQCWHSDAKW-UHFFFAOYSA-N 0 1 416.547 2.152 50 0 HEAAMN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000067675111 558991143 /nfs/dbraw/zinc/99/11/43/558991143.db2.gz DXFCOGUQEGYHHW-MRXNPFEDSA-N 0 1 419.957 2.234 50 0 HEAAMN CCN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000022457238 558995302 /nfs/dbraw/zinc/99/53/02/558995302.db2.gz DVYOJEXFPKIDKK-IBGZPJMESA-N 0 1 408.955 2.392 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@@H]24)O3)n[nH]1 ZINC000077553691 559009087 /nfs/dbraw/zinc/00/90/87/559009087.db2.gz BXGPSECAFDGJII-VWNVYAMZSA-N 0 1 410.449 2.111 50 0 HEAAMN Cc1ncn(-c2cc(NCCNS(=O)(=O)c3cccc(C)c3)nc(C)n2)c1C ZINC000082230472 559042737 /nfs/dbraw/zinc/04/27/37/559042737.db2.gz HFXJDUKAJREFCW-UHFFFAOYSA-N 0 1 400.508 2.286 50 0 HEAAMN O=C(CSC(F)(F)F)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095508340 559083441 /nfs/dbraw/zinc/08/34/41/559083441.db2.gz IRLBIZCIKFDWQW-UHFFFAOYSA-N 0 1 402.442 2.275 50 0 HEAAMN COc1ccc(F)cc1S(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C ZINC000005075787 559240877 /nfs/dbraw/zinc/24/08/77/559240877.db2.gz DSLDWXGHUVZBAE-UHFFFAOYSA-N 0 1 414.480 2.483 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248223358 559269070 /nfs/dbraw/zinc/26/90/70/559269070.db2.gz ILADSGPWFWVNAD-UECWXEIQSA-N 0 1 419.481 2.155 50 0 HEAAMN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cc(-c2cccnc2)n[nH]1 ZINC000206241844 560555323 /nfs/dbraw/zinc/55/53/23/560555323.db2.gz QLAGFMWCUOGIFC-GOSISDBHSA-N 0 1 402.414 2.281 50 0 HEAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000018191500 560782050 /nfs/dbraw/zinc/78/20/50/560782050.db2.gz HYEGWQYYXAEAMH-XHOYROJHSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3O)=NN2)cc1 ZINC000101762952 560800878 /nfs/dbraw/zinc/80/08/78/560800878.db2.gz VZRWHYCLDUUEMP-KRWDZBQOSA-N 0 1 406.442 2.296 50 0 HEAAMN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000012201319 560891696 /nfs/dbraw/zinc/89/16/96/560891696.db2.gz QDMOFFAGYGISBR-UHFFFAOYSA-N 0 1 417.443 2.108 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1)C(C)C ZINC000020762698 568458638 /nfs/dbraw/zinc/45/86/38/568458638.db2.gz QARYAASWXMKEDJ-PKOBYXMFSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN COc1ccc(-c2n[nH]c(NC(=O)c3c4c(sc3-n3cnnn3)CCC4)n2)cc1 ZINC000604418827 568492977 /nfs/dbraw/zinc/49/29/77/568492977.db2.gz IIDAKVJLNVUOGU-UHFFFAOYSA-N 0 1 408.447 2.259 50 0 HEAAMN Cc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 ZINC000020486113 568613175 /nfs/dbraw/zinc/61/31/75/568613175.db2.gz NXWCSUVQQHIMIR-UHFFFAOYSA-N 0 1 418.500 2.343 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](Cc3ccccc3)N(C)C)ccc21 ZINC000095963641 568670550 /nfs/dbraw/zinc/67/05/50/568670550.db2.gz DTSNZJOOFFPBJX-IBGZPJMESA-N 0 1 401.532 2.047 50 0 HEAAMN COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000096115918 568695503 /nfs/dbraw/zinc/69/55/03/568695503.db2.gz OFXOCWMTLIZTLN-ZDUSSCGKSA-N 0 1 414.414 2.121 50 0 biogenic HEAAMN CCN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)CC1 ZINC000096224098 568706650 /nfs/dbraw/zinc/70/66/50/568706650.db2.gz GAYNFMHECWDWCP-UHFFFAOYSA-N 0 1 411.531 2.399 50 0 HEAAMN C[C@H](CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021534302 568711648 /nfs/dbraw/zinc/71/16/48/568711648.db2.gz YZULPJRCEMQHBO-QGZVFWFLSA-N 0 1 421.588 2.364 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)n1 ZINC000230154274 568853014 /nfs/dbraw/zinc/85/30/14/568853014.db2.gz KRGCMDCVCIJSPC-DUVNUKRYSA-N 0 1 416.507 2.145 50 0 HEAAMN Cc1c(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cnn1C ZINC000299759030 568873210 /nfs/dbraw/zinc/87/32/10/568873210.db2.gz GQVHWVQAGOYXGR-OAQYLSRUSA-N 0 1 416.497 2.138 50 0 HEAAMN Cc1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 ZINC000299761550 568873408 /nfs/dbraw/zinc/87/34/08/568873408.db2.gz VHVJPTJMRKMXSW-FQEVSTJZSA-N 0 1 402.470 2.128 50 0 HEAAMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc(S(N)(=O)=O)c1C ZINC000670440192 568891948 /nfs/dbraw/zinc/89/19/48/568891948.db2.gz YEXILRSBIPSPPQ-MRXNPFEDSA-N 0 1 407.561 2.407 50 0 HEAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000004090899 568942271 /nfs/dbraw/zinc/94/22/71/568942271.db2.gz QMLNGBPKBHKELV-RUNWAEEFSA-N 0 1 415.877 2.494 50 0 biogenic HEAAMN COc1ccc(-n2cccn2)cc1S(=O)(=O)NCc1n[nH]c2c1CCCCC2 ZINC000670461045 568951892 /nfs/dbraw/zinc/95/18/92/568951892.db2.gz WNPPSUDXCQBWLT-UHFFFAOYSA-N 0 1 401.492 2.351 50 0 HEAAMN CC[C@@H](C)N(C(=O)CSc1nc2ccc(OC)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000004273835 568957831 /nfs/dbraw/zinc/95/78/31/568957831.db2.gz VRMIWIQZSKOJOT-CHWSQXEVSA-N 0 1 411.549 2.478 50 0 HEAAMN CCCCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316430 568962147 /nfs/dbraw/zinc/96/21/47/568962147.db2.gz XMBZOQWMKDWKOE-UHFFFAOYSA-N 0 1 424.549 2.244 50 0 HEAAMN O=C(NCc1n[nH]c2c1CCCCC2)c1sccc1S(=O)(=O)N1CCCC1 ZINC000670469709 568980044 /nfs/dbraw/zinc/98/00/44/568980044.db2.gz JRMMDVFDJYXFOS-UHFFFAOYSA-N 0 1 408.549 2.455 50 0 HEAAMN CCOc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000015864164 569016477 /nfs/dbraw/zinc/01/64/77/569016477.db2.gz NSISWIYMMZIMQV-UHFFFAOYSA-N 0 1 417.456 2.438 50 0 HEAAMN CN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cn2)CC1 ZINC000012918228 569022706 /nfs/dbraw/zinc/02/27/06/569022706.db2.gz FVHNCKRHSAUIOB-OAHLLOKOSA-N 0 1 413.909 2.478 50 0 HEAAMN O=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(N2CCOCC2)CCCCC1 ZINC000012945668 569029005 /nfs/dbraw/zinc/02/90/05/569029005.db2.gz IJDABLYDWHMRJB-UHFFFAOYSA-N 0 1 401.429 2.018 50 0 HEAAMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000035360366 569033649 /nfs/dbraw/zinc/03/36/49/569033649.db2.gz WFOSQGWXPHKAPA-IBGZPJMESA-N 0 1 407.470 2.307 50 0 HEAAMN O=C(COc1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000006317169 569040298 /nfs/dbraw/zinc/04/02/98/569040298.db2.gz BZAAIFOPRGYCKS-UHFFFAOYSA-N 0 1 402.407 2.434 50 0 HEAAMN C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000228968489 569040355 /nfs/dbraw/zinc/04/03/55/569040355.db2.gz KYGDFRZXJUQQBF-XMSQKQJNSA-N 0 1 413.562 2.313 50 0 HEAAMN O=c1cc(CN2CCCCCC2)oc(CN2CCN(Cc3cccnc3)CC2)c1O ZINC000253413318 569051482 /nfs/dbraw/zinc/05/14/82/569051482.db2.gz UMABNRUJLIRGEG-UHFFFAOYSA-N 0 1 412.534 2.434 50 0 HEAAMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1C ZINC000064459837 569062998 /nfs/dbraw/zinc/06/29/98/569062998.db2.gz MOMYBSBHIRKLOC-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000064837102 569105007 /nfs/dbraw/zinc/10/50/07/569105007.db2.gz DHEGWMJJZYPFHS-UHFFFAOYSA-N 0 1 414.443 2.205 50 0 HEAAMN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)C[C@H](C)CC3 ZINC000006759645 569113156 /nfs/dbraw/zinc/11/31/56/569113156.db2.gz SCIVYYZPGYTHOB-CQSZACIVSA-N 0 1 419.547 2.008 50 0 HEAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3cc(OC)ccc3OC)[nH]2)cc1 ZINC000064969496 569138073 /nfs/dbraw/zinc/13/80/73/569138073.db2.gz LDDRSDZFWUAVIB-UHFFFAOYSA-N 0 1 418.475 2.019 50 0 HEAAMN Cn1cnc2c(C(=O)N3CCN(C4CCCCC4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998208 569149923 /nfs/dbraw/zinc/14/99/23/569149923.db2.gz SBQXMMATVCOOFZ-UHFFFAOYSA-N 0 1 420.517 2.210 50 0 HEAAMN CN(C)[C@@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369834 569153793 /nfs/dbraw/zinc/15/37/93/569153793.db2.gz QHZKNAZWHFFRKC-DHLKQENFSA-N 0 1 412.493 2.354 50 0 HEAAMN CC(C)CN1CCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)CC1 ZINC000065216475 569197815 /nfs/dbraw/zinc/19/78/15/569197815.db2.gz MVJHZUAGIMUFFT-UHFFFAOYSA-N 0 1 402.568 2.458 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cn1C ZINC000007007121 569199905 /nfs/dbraw/zinc/19/99/05/569199905.db2.gz UHZZUMMUNQCKGF-UHFFFAOYSA-N 0 1 423.510 2.141 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 ZINC000036569665 569200835 /nfs/dbraw/zinc/20/08/35/569200835.db2.gz AGGDSGDVZDJODM-QUCCMNQESA-N 0 1 405.458 2.246 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000036593747 569204443 /nfs/dbraw/zinc/20/44/43/569204443.db2.gz WLRZVXYQBBVFJD-AEFFLSMTSA-N 0 1 418.519 2.370 50 0 HEAAMN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007050485 569211842 /nfs/dbraw/zinc/21/18/42/569211842.db2.gz HGBHNXVIKRIXBZ-UHFFFAOYSA-N 0 1 406.489 2.148 50 0 HEAAMN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2=O)c1C ZINC000014519958 569260300 /nfs/dbraw/zinc/26/03/00/569260300.db2.gz IRVKCEOIERFHIY-SFHVURJKSA-N 0 1 407.518 2.442 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012319 569271506 /nfs/dbraw/zinc/27/15/06/569271506.db2.gz MQUAVCRPQDUHEH-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOC[C@H]1c1nnc[nH]1 ZINC000253416710 569367316 /nfs/dbraw/zinc/36/73/16/569367316.db2.gz IIMYXTXHGKDYDO-AWEZNQCLSA-N 0 1 403.240 2.171 50 0 HEAAMN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCC(Cc2ccccc2)CC1 ZINC000079488542 569432320 /nfs/dbraw/zinc/43/23/20/569432320.db2.gz DQZSLIHSTOFNDE-UHFFFAOYSA-N 0 1 411.546 2.378 50 0 HEAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000008695447 571102627 /nfs/dbraw/zinc/10/26/27/571102627.db2.gz VBSJTKKSKXYAHT-AVRDEDQJSA-N 0 1 421.409 2.286 50 0 HEAAMN COc1ccc(-c2n[nH]c(SCC(=O)NCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008704065 571102931 /nfs/dbraw/zinc/10/29/31/571102931.db2.gz GBETVCFOGPPZEQ-UHFFFAOYSA-N 0 1 415.450 2.466 50 0 HEAAMN COC(=O)c1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2CCO)cc1 ZINC000008845677 571125357 /nfs/dbraw/zinc/12/53/57/571125357.db2.gz XZURMQURUYJYJW-HXUWFJFHSA-N 0 1 407.426 2.415 50 0 HEAAMN CC1CCN([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000040039897 571142273 /nfs/dbraw/zinc/14/22/73/571142273.db2.gz KDAZBDVCQPRDMJ-IXDOHACOSA-N 0 1 401.598 2.465 50 0 HEAAMN COc1cccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000009348202 571250333 /nfs/dbraw/zinc/25/03/33/571250333.db2.gz NCDUTPBHGOQXTD-FQEVSTJZSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000009946666 571291242 /nfs/dbraw/zinc/29/12/42/571291242.db2.gz NFSRPIKMHUEGFU-INIZCTEOSA-N 0 1 407.561 2.437 50 0 HEAAMN COc1ccc(CN2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000010413566 571302213 /nfs/dbraw/zinc/30/22/13/571302213.db2.gz XWTWARYHYRUIPO-UHFFFAOYSA-N 0 1 418.519 2.082 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000008194090 132328673 /nfs/dbraw/zinc/32/86/73/132328673.db2.gz XPVBXPWGYCIQKF-UHFFFAOYSA-N 0 1 406.486 2.453 50 0 HEAAMN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ncnc5[nH]cnc54)C3)c2c1 ZINC000008791972 132333495 /nfs/dbraw/zinc/33/34/95/132333495.db2.gz QBNWVXYLXLVUKC-HNNXBMFYSA-N 0 1 419.489 2.418 50 0 biogenic HEAAMN COC(=O)CCCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000015065111 132461144 /nfs/dbraw/zinc/46/11/44/132461144.db2.gz XEZATQMSAGLIBH-GOSISDBHSA-N 0 1 403.523 2.152 50 0 HEAAMN CCCN1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000045610101 519855475 /nfs/dbraw/zinc/85/54/75/519855475.db2.gz YYTNYNSTNFQKCO-UHFFFAOYSA-N 0 1 400.292 2.262 50 0 HEAAMN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560264 520510429 /nfs/dbraw/zinc/51/04/29/520510429.db2.gz PWNYMBNXZUOWBN-IBGZPJMESA-N 0 1 415.490 2.005 50 0 HEAAMN COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CCC(C)C)cc(OC)c1OC ZINC000045966656 522062585 /nfs/dbraw/zinc/06/25/85/522062585.db2.gz JWAJURFVMZCVPC-UHFFFAOYSA-N 0 1 421.538 2.023 50 0 HEAAMN CCc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2cccc(C)c2)cc1 ZINC000045974823 524010708 /nfs/dbraw/zinc/01/07/08/524010708.db2.gz UGNZXWIESSORGZ-UHFFFAOYSA-N 0 1 415.559 2.180 50 0 HEAAMN COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)CC2=O)cc1 ZINC000032913568 524447293 /nfs/dbraw/zinc/44/72/93/524447293.db2.gz UHVWPYQWGSEEBY-CYBMUJFWSA-N 0 1 407.430 2.481 50 0 HEAAMN CCOC(=O)[C@H](C(=O)CN1CCN(c2cccc(OC)c2)CC1)c1nc(C)cs1 ZINC000009589149 535601325 /nfs/dbraw/zinc/60/13/25/535601325.db2.gz KKDKFEZPGQPCRL-LJQANCHMSA-N 0 1 417.531 2.498 50 0 HEAAMN Cc1nn(C)c(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000002747743 557757268 /nfs/dbraw/zinc/75/72/68/557757268.db2.gz YLQFTVGHSIXHHB-UHFFFAOYSA-N 0 1 414.491 2.497 50 0 HEAAMN COCCN1c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O ZINC000022688333 557779246 /nfs/dbraw/zinc/77/92/46/557779246.db2.gz ALZIZULWFOAMLC-UHFFFAOYSA-N 0 1 420.487 2.430 50 0 HEAAMN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 ZINC000022767162 557814987 /nfs/dbraw/zinc/81/49/87/557814987.db2.gz BJAFGWQLDKRVHW-QGZVFWFLSA-N 0 1 409.577 2.332 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1C ZINC000022767146 557815032 /nfs/dbraw/zinc/81/50/32/557815032.db2.gz NTWAGUNRFAOZJK-SFHVURJKSA-N 0 1 409.577 2.332 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(F)cc2)CC1 ZINC000022795833 557822816 /nfs/dbraw/zinc/82/28/16/557822816.db2.gz ZLBKTRNRCVAXTD-OAQYLSRUSA-N 0 1 416.541 2.237 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCN(C)CC2)cc1 ZINC000022796571 557823354 /nfs/dbraw/zinc/82/33/54/557823354.db2.gz SZIUWQBXUNNKOM-QFIPXVFZSA-N 0 1 412.578 2.406 50 0 HEAAMN COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C ZINC000022822081 557832971 /nfs/dbraw/zinc/83/29/71/557832971.db2.gz NPLQNYIAWUPBRR-UHFFFAOYSA-N 0 1 423.517 2.347 50 0 HEAAMN C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2 ZINC000011872317 558290388 /nfs/dbraw/zinc/29/03/88/558290388.db2.gz QMRLKRRPUAORKB-OAHLLOKOSA-N 0 1 401.486 2.079 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035507 558311909 /nfs/dbraw/zinc/31/19/09/558311909.db2.gz ZQFZLYWJMULULG-OAHLLOKOSA-N 0 1 401.511 2.187 50 0 HEAAMN CCC(CC)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccs1 ZINC000012037889 558312403 /nfs/dbraw/zinc/31/24/03/558312403.db2.gz IFYCNGQGYRXTAT-QAPCUYQASA-N 0 1 419.551 2.494 50 0 HEAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000012073232 558318266 /nfs/dbraw/zinc/31/82/66/558318266.db2.gz QTNFNECRELNVKX-QFIPXVFZSA-N 0 1 403.498 2.271 50 0 HEAAMN Cc1ccc2nc(C3CCN(C(=O)Cn4nnnc4CN(C)C(C)C)CC3)[nH]c2c1 ZINC000012434319 558408161 /nfs/dbraw/zinc/40/81/61/558408161.db2.gz VKTDXNKNQZVIIV-UHFFFAOYSA-N 0 1 410.526 2.104 50 0 HEAAMN NC(=O)CCC(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012442358 558412638 /nfs/dbraw/zinc/41/26/38/558412638.db2.gz WSRPVOOGIOPUDR-IBGZPJMESA-N 0 1 405.514 2.311 50 0 HEAAMN CCN1CCN(c2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2)CC1 ZINC000021035202 558429847 /nfs/dbraw/zinc/42/98/47/558429847.db2.gz YAOHDXPCCCDGAX-UHFFFAOYSA-N 0 1 415.494 2.205 50 0 HEAAMN CCN1CCN(C2=N[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122887 558431424 /nfs/dbraw/zinc/43/14/24/558431424.db2.gz CGIAPHYIDRJREW-FQEVSTJZSA-N 0 1 421.501 2.299 50 0 HEAAMN O=C(CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)NC1CC1 ZINC000025231456 558635260 /nfs/dbraw/zinc/63/52/60/558635260.db2.gz OHZYZTGDQWMVDD-LJQANCHMSA-N 0 1 406.530 2.052 50 0 HEAAMN O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H](NCc3nc(-c4ccc(F)cc4)cs3)CN12 ZINC000014539100 558659192 /nfs/dbraw/zinc/65/91/92/558659192.db2.gz RAMCWJOAKDPMBM-UAGQMJEPSA-N 0 1 400.479 2.013 50 0 HEAAMN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCN3CCN(c4ccccn4)CC3)c2)n1 ZINC000072294503 558739992 /nfs/dbraw/zinc/73/99/92/558739992.db2.gz SOMQQEZMSUNMSX-UHFFFAOYSA-N 0 1 418.501 2.291 50 0 HEAAMN COC(=O)C1C(CN2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087027 558772805 /nfs/dbraw/zinc/77/28/05/558772805.db2.gz KSWFRTPPWGGEKZ-DJJJIMSYSA-N 0 1 403.479 2.217 50 0 HEAAMN CCN1CCN(c2ccc(N3CCN(C(=O)CCCc4ccccc4)CC3)nn2)CC1 ZINC000004583390 558773139 /nfs/dbraw/zinc/77/31/39/558773139.db2.gz QJXDBAYLTMLQMA-UHFFFAOYSA-N 0 1 422.577 2.290 50 0 HEAAMN O=C(NCCN1CCCC[C@H]1CO)c1cc(COc2cccc3cccnc32)on1 ZINC000019143967 558846453 /nfs/dbraw/zinc/84/64/53/558846453.db2.gz OMCHPBWKWQMRDQ-KRWDZBQOSA-N 0 1 410.474 2.378 50 0 HEAAMN CCn1ccnc1CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228407 558852929 /nfs/dbraw/zinc/85/29/29/558852929.db2.gz HQUBHYKOONBLDT-FQEVSTJZSA-N 0 1 411.550 2.414 50 0 HEAAMN CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033765 558857776 /nfs/dbraw/zinc/85/77/76/558857776.db2.gz WICHQXGGWQRUOB-UHFFFAOYSA-N 0 1 402.520 2.035 50 0 HEAAMN CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033761 558857788 /nfs/dbraw/zinc/85/77/88/558857788.db2.gz NAXGNVXBZYHYGM-UHFFFAOYSA-N 0 1 420.510 2.174 50 0 HEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033034184 558858340 /nfs/dbraw/zinc/85/83/40/558858340.db2.gz WLYSSBIVBHUTFN-UHFFFAOYSA-N 0 1 420.510 2.176 50 0 HEAAMN CC(=O)N1CCCc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccco3)ccc21 ZINC000033077328 558868671 /nfs/dbraw/zinc/86/86/71/558868671.db2.gz CCVIIBBYTVQZCG-UHFFFAOYSA-N 0 1 405.520 2.331 50 0 HEAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000055568737 558882824 /nfs/dbraw/zinc/88/28/24/558882824.db2.gz WIJOWMMEGVRXRI-FQEVSTJZSA-N 0 1 416.566 2.226 50 0 HEAAMN CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004687635 558898340 /nfs/dbraw/zinc/89/83/40/558898340.db2.gz NCXHXRPJJRLRBJ-UHFFFAOYSA-N 0 1 405.520 2.431 50 0 HEAAMN O=C(Nc1ccc(N2CCOCC2)cn1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000058191431 558910660 /nfs/dbraw/zinc/91/06/60/558910660.db2.gz PNTIOFJKRPPVLB-UHFFFAOYSA-N 0 1 407.430 2.332 50 0 HEAAMN CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCc4ccccc43)[nH]n2)ccc1OC ZINC000021806239 558951918 /nfs/dbraw/zinc/95/19/18/558951918.db2.gz NOEPIVJOIBMXQX-UHFFFAOYSA-N 0 1 412.471 2.196 50 0 HEAAMN Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1 ZINC000064799859 558965833 /nfs/dbraw/zinc/96/58/33/558965833.db2.gz ONVSQQMIYMBHIU-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(N2CCCC2)n1 ZINC000065361963 558972496 /nfs/dbraw/zinc/97/24/96/558972496.db2.gz ZDGGBDYNQGWRJU-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000033320922 559057906 /nfs/dbraw/zinc/05/79/06/559057906.db2.gz XYAFUCNTMMPCKG-UHFFFAOYSA-N 0 1 406.508 2.208 50 0 HEAAMN COCC(=O)N1CC[C@]2(O)CCN(Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC000095366628 559080094 /nfs/dbraw/zinc/08/00/94/559080094.db2.gz OGLVRAXIJFGHFL-IEBWSBKVSA-N 0 1 400.441 2.446 50 0 HEAAMN OCCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)CC[C@@H]1N1CCOCC1 ZINC000095384069 559080744 /nfs/dbraw/zinc/08/07/44/559080744.db2.gz OUWSDDDYNMXAAZ-MJGOQNOKSA-N 0 1 404.486 2.171 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000096210270 559101472 /nfs/dbraw/zinc/10/14/72/559101472.db2.gz PWCPKZYLYDEXEH-SFHVURJKSA-N 0 1 406.552 2.289 50 0 HEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000100080837 559126862 /nfs/dbraw/zinc/12/68/62/559126862.db2.gz VUXQBAWBTHTARM-IYBDPMFKSA-N 0 1 400.460 2.265 50 0 HEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCc3ccccn3)[nH]c2=O)cc1OC ZINC000005082115 559242880 /nfs/dbraw/zinc/24/28/80/559242880.db2.gz OTIGPSIGIPPBPZ-UHFFFAOYSA-N 0 1 413.459 2.309 50 0 HEAAMN CCc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1 ZINC000011858331 559263116 /nfs/dbraw/zinc/26/31/16/559263116.db2.gz BNPPOTJLMMIPRQ-UHFFFAOYSA-N 0 1 424.500 2.125 50 0 HEAAMN CC(C)Cc1nc(NC(=O)CC[C@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n[nH]1 ZINC000252540587 559278353 /nfs/dbraw/zinc/27/83/53/559278353.db2.gz POOZFTRGXDHPGQ-CQSZACIVSA-N 0 1 402.430 2.186 50 0 HEAAMN CC(C)Cc1n[nH]c(NC(=O)CC[C@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1 ZINC000252540587 559278355 /nfs/dbraw/zinc/27/83/55/559278355.db2.gz POOZFTRGXDHPGQ-CQSZACIVSA-N 0 1 402.430 2.186 50 0 HEAAMN Cc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)[nH]c2c1 ZINC000005357348 560569618 /nfs/dbraw/zinc/56/96/18/560569618.db2.gz UREZGGQFKWBBBY-UHFFFAOYSA-N 0 1 401.492 2.495 50 0 HEAAMN CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)c1=O ZINC000022697308 568415505 /nfs/dbraw/zinc/41/55/05/568415505.db2.gz DJPBZUFRQWSVPK-OAQYLSRUSA-N 0 1 401.507 2.236 50 0 HEAAMN COCc1n[nH]c(-c2ccc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)cc2)n1 ZINC000095479808 568632771 /nfs/dbraw/zinc/63/27/71/568632771.db2.gz BBVWVQFEDHWJCK-UHFFFAOYSA-N 0 1 408.393 2.106 50 0 HEAAMN COc1cccc(N2CCN(C(=O)CCc3nc(C4=CCN(C)CC4)no3)CC2)c1 ZINC000020901790 568650073 /nfs/dbraw/zinc/65/00/73/568650073.db2.gz TXKVFERAQBVOBX-UHFFFAOYSA-N 0 1 411.506 2.079 50 0 HEAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021534199 568711521 /nfs/dbraw/zinc/71/15/21/568711521.db2.gz WVOWMBCICDJFGJ-UHFFFAOYSA-N 0 1 415.559 2.316 50 0 HEAAMN Cc1ccc(CN2CCCn3nc(C(=O)NCCN4CCCCC4)cc3C2=O)cc1 ZINC000021933569 568761822 /nfs/dbraw/zinc/76/18/22/568761822.db2.gz WLXHUCBBDZSHMQ-UHFFFAOYSA-N 0 1 409.534 2.453 50 0 HEAAMN Cc1cn2c3c(nc2n1-c1cccc(C)c1)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000005901045 568829175 /nfs/dbraw/zinc/82/91/75/568829175.db2.gz WLSAPCCSBSFVMN-UHFFFAOYSA-N 0 1 420.517 2.241 50 0 HEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414274 568833367 /nfs/dbraw/zinc/83/33/67/568833367.db2.gz QIYAAPVJXXHCJI-OAQYLSRUSA-N 0 1 424.476 2.429 50 0 HEAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(CC(C)C)CC2 ZINC000299761141 568873308 /nfs/dbraw/zinc/87/33/08/568873308.db2.gz SGJTWUUHRHCRIY-UHFFFAOYSA-N 0 1 404.536 2.100 50 0 HEAAMN CCc1cc2c(ncn(CC(=O)NCC3(N4CCOCC4)CCCCC3)c2=O)s1 ZINC000031757471 568930573 /nfs/dbraw/zinc/93/05/73/568930573.db2.gz BUVHDBOSDUZVNI-UHFFFAOYSA-N 0 1 418.563 2.172 50 0 HEAAMN COc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000012801382 568979070 /nfs/dbraw/zinc/97/90/70/568979070.db2.gz AYHIEMSFCHHRPR-QGZVFWFLSA-N 0 1 424.530 2.154 50 0 HEAAMN Cc1cccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000015864300 569016484 /nfs/dbraw/zinc/01/64/84/569016484.db2.gz PFFNUILJOGIDCH-UHFFFAOYSA-N 0 1 415.559 2.235 50 0 HEAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015955028 569024576 /nfs/dbraw/zinc/02/45/76/569024576.db2.gz PUNALERCVYYUGC-CMCWBKRRSA-N 0 1 401.466 2.422 50 0 biogenic HEAAMN CC[C@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1CCC[NH+]1CCOCC1 ZINC000575443632 569028458 /nfs/dbraw/zinc/02/84/58/569028458.db2.gz FEKXQIAFCVPZOE-QFIPXVFZSA-N 0 1 411.554 2.334 50 0 HEAAMN C[C@@H](Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000035535032 569043492 /nfs/dbraw/zinc/04/34/92/569043492.db2.gz OPPQZYINFOWARV-MRXNPFEDSA-N 0 1 405.458 2.224 50 0 HEAAMN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCN2CCCC[C@H]2C1 ZINC000240278357 569054594 /nfs/dbraw/zinc/05/45/94/569054594.db2.gz DQPUICHZYFTAJX-IRXDYDNUSA-N 0 1 406.324 2.499 50 0 HEAAMN Cc1cc(C)cc(N2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459853 569063081 /nfs/dbraw/zinc/06/30/81/569063081.db2.gz LALGUAUNYAMGMT-UHFFFAOYSA-N 0 1 421.505 2.086 50 0 HEAAMN O=C([O-])[C@]12CN(CC(=O)NCc3ccccc3F)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000426658146 569073726 /nfs/dbraw/zinc/07/37/26/569073726.db2.gz AGMMVZXWVURPRN-JTSKRJEESA-N 0 1 403.498 2.093 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C ZINC000006650771 569082160 /nfs/dbraw/zinc/08/21/60/569082160.db2.gz HLNSPUAQMATZFR-UHFFFAOYSA-N 0 1 414.443 2.140 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)c[nH]1 ZINC000007007046 569199833 /nfs/dbraw/zinc/19/98/33/569199833.db2.gz JOTYCYIGGPUVOU-UHFFFAOYSA-N 0 1 409.483 2.131 50 0 HEAAMN CC(=O)N1CCc2cc(C(=O)N[C@H](c3nn[nH]n3)c3ccc(Cl)c(F)c3)ccc21 ZINC000170597620 569242212 /nfs/dbraw/zinc/24/22/12/569242212.db2.gz FZEGUOUDPHREHP-KRWDZBQOSA-N 0 1 414.828 2.421 50 0 HEAAMN COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1OC ZINC000017012250 569271473 /nfs/dbraw/zinc/27/14/73/569271473.db2.gz VGTSCJPTKXHESA-UHFFFAOYSA-N 0 1 411.506 2.365 50 0 HEAAMN CN1CCN(c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000007725919 569280748 /nfs/dbraw/zinc/28/07/48/569280748.db2.gz JKGCECQISFIRQA-UHFFFAOYSA-N 0 1 414.531 2.366 50 0 HEAAMN Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000007587687 569283488 /nfs/dbraw/zinc/28/34/88/569283488.db2.gz ZCFFJTQYCYTNMU-GOSISDBHSA-N 0 1 408.531 2.454 50 0 HEAAMN NC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253414643 569366940 /nfs/dbraw/zinc/36/69/40/569366940.db2.gz YBPKCGYAHPIERK-INIZCTEOSA-N 0 1 400.431 2.037 50 0 biogenic HEAAMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000078974966 569422654 /nfs/dbraw/zinc/42/26/54/569422654.db2.gz HHYRRXDBCNQYEF-CYBMUJFWSA-N 0 1 400.464 2.140 50 0 HEAAMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN([C@@H]2CCSC2)CC1 ZINC000079025718 569424764 /nfs/dbraw/zinc/42/47/64/569424764.db2.gz OZIIFTIQZAMOMG-PKOBYXMFSA-N 0 1 418.607 2.158 50 0 HEAAMN CCN(CC)[C@@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000079070789 569426688 /nfs/dbraw/zinc/42/66/88/569426688.db2.gz JDSQWUMITLOILU-MRXNPFEDSA-N 0 1 421.485 2.500 50 0 HEAAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@H](c2ccc3c(c2)OCO3)NN1 ZINC000009046034 571215620 /nfs/dbraw/zinc/21/56/20/571215620.db2.gz XDHSIQHFKXEIJH-QFVIEVDGSA-N 0 1 406.398 2.327 50 0 HEAAMN CCOC(=O)c1ccc2nc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000009090071 571220299 /nfs/dbraw/zinc/22/02/99/571220299.db2.gz OZAYYZSYGMTCBX-OAHLLOKOSA-N 0 1 419.381 2.453 50 0 HEAAMN Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(C)n1C ZINC000009684813 571279592 /nfs/dbraw/zinc/27/95/92/571279592.db2.gz BCBRGRSXXXKUAV-UHFFFAOYSA-N 0 1 419.503 2.450 50 0 HEAAMN COCCC1(NC(=O)C2CCOCC2)CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000581804817 1078781100 /nfs/dbraw/zinc/78/11/00/1078781100.db2.gz JOORFVLLXNZRTA-UHFFFAOYSA-N 0 1 414.506 2.117 50 0 HEAAMN O=S(=O)(Cc1ccccc1F)N1CC[C@H](Cc2nc(-c3ccncc3)n[nH]2)C1 ZINC000575541776 1076333764 /nfs/dbraw/zinc/33/37/64/1076333764.db2.gz LAMAHBRDUIOCET-CQSZACIVSA-N 0 1 401.467 2.400 50 0 HEAAMN CCn1cc(S(=O)(=O)N2CCC[C@H](Cn3c(C)cnc3C3CCOCC3)C2)cn1 ZINC000575547550 1076344719 /nfs/dbraw/zinc/34/47/19/1076344719.db2.gz IHIIFDDJAUTISH-KRWDZBQOSA-N 0 1 421.567 2.403 50 0 HEAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694623 132332274 /nfs/dbraw/zinc/33/22/74/132332274.db2.gz OENKZWQKYICDPR-XMSQKQJNSA-N 0 1 423.494 2.443 50 0 HEAAMN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000009421256 132339531 /nfs/dbraw/zinc/33/95/31/132339531.db2.gz RFDICXQGXRRNEL-LBPRGKRZSA-N 0 1 414.853 2.268 50 0 HEAAMN CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 ZINC000020601030 521486332 /nfs/dbraw/zinc/48/63/32/521486332.db2.gz QTANSFJWUXGIAU-UHFFFAOYSA-N 0 1 406.490 2.060 50 0 HEAAMN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000031812297 522174257 /nfs/dbraw/zinc/17/42/57/522174257.db2.gz ORDOSZASDPHHBH-CYBMUJFWSA-N 0 1 403.402 2.108 50 0 HEAAMN COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC ZINC000032124511 523023373 /nfs/dbraw/zinc/02/33/73/523023373.db2.gz VNENVYDQPMUVLC-IBGZPJMESA-N 0 1 402.451 2.037 50 0 biogenic HEAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccsc2)CC1 ZINC000022766270 523916577 /nfs/dbraw/zinc/91/65/77/523916577.db2.gz BQFGEAQPCQLXJU-KRWDZBQOSA-N 0 1 408.474 2.070 50 0 HEAAMN CC[C@H](C)N(CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1cccs1 ZINC000020582042 523936512 /nfs/dbraw/zinc/93/65/12/523936512.db2.gz IYBRKFOGTYWCOD-LBPRGKRZSA-N 0 1 401.579 2.488 50 0 HEAAMN C[C@@H]1COc2ccc(C(=O)NCCN3CCN(C)CC3)cc2N1Cc1ccccc1 ZINC000040455608 525161829 /nfs/dbraw/zinc/16/18/29/525161829.db2.gz VLVMYLBRCBOVGL-LJQANCHMSA-N 0 1 408.546 2.451 50 0 HEAAMN CSCCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020599572 525372139 /nfs/dbraw/zinc/37/21/39/525372139.db2.gz VXTZJFQAHXUERN-GOSISDBHSA-N 0 1 405.564 2.277 50 0 HEAAMN COc1ccc2c(c1)c(C(=O)N1CCN(c3ncnc4[nH]cnc43)CC1)c(C)n2C ZINC000012323607 537015070 /nfs/dbraw/zinc/01/50/70/537015070.db2.gz ZSPCEADWLASSSQ-UHFFFAOYSA-N 0 1 405.462 2.124 50 0 HEAAMN CC(C)COC[C@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667977 557361397 /nfs/dbraw/zinc/36/13/97/557361397.db2.gz IYHZBCHUNFVIGQ-OAQYLSRUSA-N 0 1 412.534 2.489 50 0 HEAAMN Cc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)C3)[nH]c2c1 ZINC000004912731 557613076 /nfs/dbraw/zinc/61/30/76/557613076.db2.gz ZTWDZAJIEWYTRU-UHFFFAOYSA-N 0 1 416.528 2.454 50 0 HEAAMN C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCO1 ZINC000005041626 557628629 /nfs/dbraw/zinc/62/86/29/557628629.db2.gz SGIFMUWXDOFORS-DOMZBBRYSA-N 0 1 407.521 2.131 50 0 HEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCc3cccnc3)[nH]c2=O)cc1OC ZINC000002712647 557742287 /nfs/dbraw/zinc/74/22/87/557742287.db2.gz DPCHBQVOGHXQSM-UHFFFAOYSA-N 0 1 413.459 2.309 50 0 HEAAMN CC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)CC1 ZINC000002712418 557746160 /nfs/dbraw/zinc/74/61/60/557746160.db2.gz LKAZVZXMSGNUQH-UHFFFAOYSA-N 0 1 407.521 2.017 50 0 HEAAMN NC(=O)C1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002970221 557775152 /nfs/dbraw/zinc/77/51/52/557775152.db2.gz SEUBDUARSAWBIB-UHFFFAOYSA-N 0 1 402.520 2.343 50 0 HEAAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2)CC1 ZINC000022796313 557822993 /nfs/dbraw/zinc/82/29/93/557822993.db2.gz QQQUIXOGRDWSLN-LJQANCHMSA-N 0 1 420.435 2.147 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1C ZINC000022796187 557823101 /nfs/dbraw/zinc/82/31/01/557823101.db2.gz ATVJZMBLZWFWSH-NRFANRHFSA-N 0 1 412.509 2.486 50 0 HEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)o2)CC3)cc1 ZINC000019840042 558293726 /nfs/dbraw/zinc/29/37/26/558293726.db2.gz CXDPPKGYDXYYSK-UHFFFAOYSA-N 0 1 409.490 2.219 50 0 HEAAMN COC(=O)Cc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019991937 558317648 /nfs/dbraw/zinc/31/76/48/558317648.db2.gz XFZSCUPDYHBMOS-UHFFFAOYSA-N 0 1 418.497 2.397 50 0 HEAAMN Cc1nc(CNC(=O)c2ccc([C@H]3CCCN3C(=O)C3CCOCC3)s2)n[nH]1 ZINC000020351587 558356625 /nfs/dbraw/zinc/35/66/25/558356625.db2.gz UNFNSWZVZXNMIE-CQSZACIVSA-N 0 1 403.508 2.195 50 0 HEAAMN CC(C)CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc21 ZINC000020358173 558357932 /nfs/dbraw/zinc/35/79/32/558357932.db2.gz QJJAONZIWPOLFW-UHFFFAOYSA-N 0 1 410.522 2.275 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc4c(c2)OCCO4)C(=O)N3)cc1 ZINC000020729408 558406017 /nfs/dbraw/zinc/40/60/17/558406017.db2.gz OAQAPKNTSHTKDS-OAHLLOKOSA-N 0 1 421.413 2.247 50 0 HEAAMN O=C(NCCc1ccc(O)cc1)C1CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000013549946 558538681 /nfs/dbraw/zinc/53/86/81/558538681.db2.gz UGORQDPJSQJIEY-UHFFFAOYSA-N 0 1 400.870 2.287 50 0 HEAAMN CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2 ZINC000014882026 558676348 /nfs/dbraw/zinc/67/63/48/558676348.db2.gz SUVDPMBRIAUYAO-HNNXBMFYSA-N 0 1 401.511 2.016 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)c(OC)c1 ZINC000033026620 558760008 /nfs/dbraw/zinc/76/00/08/558760008.db2.gz IGAHUGRIHDMAEI-UHFFFAOYSA-N 0 1 415.471 2.487 50 0 HEAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000016022217 558768062 /nfs/dbraw/zinc/76/80/62/558768062.db2.gz FSDWEORXXPPLQB-YDLHNXBPSA-N 0 1 419.481 2.154 50 0 HEAAMN O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016024909 558768802 /nfs/dbraw/zinc/76/88/02/558768802.db2.gz QJKZFLMPAGVYAR-UHFFFAOYSA-N 0 1 402.407 2.434 50 0 HEAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024869 558768892 /nfs/dbraw/zinc/76/88/92/558768892.db2.gz NTYZDXDWZHLFJP-RSOWOLOUSA-N 0 1 403.482 2.286 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000017012937 558811628 /nfs/dbraw/zinc/81/16/28/558811628.db2.gz FTWHOBUTSXMDDO-UHFFFAOYSA-N 0 1 419.526 2.425 50 0 HEAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000072328192 558863185 /nfs/dbraw/zinc/86/31/85/558863185.db2.gz REIIIDUFFAHCDR-UHFFFAOYSA-N 0 1 406.417 2.270 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2cnccn2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000011150202 558868491 /nfs/dbraw/zinc/86/84/91/558868491.db2.gz YSADPWPPHFTJHS-MRXNPFEDSA-N 0 1 416.821 2.158 50 0 HEAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000055107510 558872649 /nfs/dbraw/zinc/87/26/49/558872649.db2.gz PELOSZDEBRDECQ-FNNXTJRKSA-N 0 1 421.545 2.151 50 0 HEAAMN COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000058306891 558918452 /nfs/dbraw/zinc/91/84/52/558918452.db2.gz BNNLIOFONAPYEK-CYBMUJFWSA-N 0 1 421.357 2.189 50 0 HEAAMN CNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC)c3)[nH]n2)ccc1OC ZINC000021806226 558951950 /nfs/dbraw/zinc/95/19/50/558951950.db2.gz OMZOBTZAZMYRLS-UHFFFAOYSA-N 0 1 416.459 2.254 50 0 HEAAMN Cc1ccc(F)cc1S(=O)(=O)NCCNc1ccc(Nc2ccncc2)nn1 ZINC000065365243 558976168 /nfs/dbraw/zinc/97/61/68/558976168.db2.gz PBTMXQJDWNTDLN-UHFFFAOYSA-N 0 1 402.455 2.453 50 0 HEAAMN C[C@@H]1CN(C2CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)C[C@H](C)O1 ZINC000067787850 558992896 /nfs/dbraw/zinc/99/28/96/558992896.db2.gz GSUIVXFIIVUUPJ-GASCZTMLSA-N 0 1 419.476 2.318 50 0 HEAAMN Cc1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCc4ccc(C)o4)cc3C2)n[nH]1 ZINC000077455026 559005671 /nfs/dbraw/zinc/00/56/71/559005671.db2.gz BYBZVAJHBCXEKR-UHFFFAOYSA-N 0 1 414.487 2.297 50 0 HEAAMN COCc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)o1 ZINC000095497933 559081702 /nfs/dbraw/zinc/08/17/02/559081702.db2.gz BYFNUIBORCQNSD-NRFANRHFSA-N 0 1 400.479 2.237 50 0 HEAAMN COCc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)o1 ZINC000095497932 559081742 /nfs/dbraw/zinc/08/17/42/559081742.db2.gz BYFNUIBORCQNSD-OAQYLSRUSA-N 0 1 400.479 2.237 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1C ZINC000011697872 559189614 /nfs/dbraw/zinc/18/96/14/559189614.db2.gz MFWUKMWPBSRXOU-UHFFFAOYSA-N 0 1 414.491 2.323 50 0 HEAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CN4CCCC4)C3)C2=O)c1 ZINC000426487587 559271799 /nfs/dbraw/zinc/27/17/99/559271799.db2.gz TWEHNNLIMHPPHK-QFIPXVFZSA-N 0 1 403.498 2.271 50 0 HEAAMN COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)=NN1 ZINC000101763029 560800810 /nfs/dbraw/zinc/80/08/10/560800810.db2.gz QYWGUNIATTXNSA-INIZCTEOSA-N 0 1 406.442 2.296 50 0 HEAAMN CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccc(C)cc3)NC(=O)N2)C1 ZINC000051318322 560858694 /nfs/dbraw/zinc/85/86/94/560858694.db2.gz UILJAMLNYWBFCL-APWZRJJASA-N 0 1 415.490 2.051 50 0 HEAAMN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000012201301 560891739 /nfs/dbraw/zinc/89/17/39/560891739.db2.gz WXSYVTLHEOCZHS-UHFFFAOYSA-N 0 1 402.428 2.352 50 0 HEAAMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012257905 568456419 /nfs/dbraw/zinc/45/64/19/568456419.db2.gz BFMWWMIJGCJCEE-NSHDSACASA-N 0 1 411.553 2.472 50 0 HEAAMN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1O ZINC000031809737 568505454 /nfs/dbraw/zinc/50/54/54/568505454.db2.gz KPBXEYPRONFEFK-MRXNPFEDSA-N 0 1 423.458 2.336 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214206 568594622 /nfs/dbraw/zinc/59/46/22/568594622.db2.gz WQOUTLSRWODWAK-SFHVURJKSA-N 0 1 406.914 2.149 50 0 HEAAMN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cnc[nH]2)[C@H]1c1ccc2c(c1)OCO2 ZINC000095479311 568632393 /nfs/dbraw/zinc/63/23/93/568632393.db2.gz XGZDHMMIQOFUER-NHCUHLMSSA-N 0 1 418.453 2.408 50 0 HEAAMN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2=O)s1 ZINC000020921804 568651106 /nfs/dbraw/zinc/65/11/06/568651106.db2.gz WPDIERNVQAHGJJ-UHFFFAOYSA-N 0 1 410.565 2.012 50 0 HEAAMN CCN1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097869 568665356 /nfs/dbraw/zinc/66/53/56/568665356.db2.gz CUPGAHFQSSVMIZ-OAQYLSRUSA-N 0 1 403.498 2.375 50 0 HEAAMN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cc(-c2cccnc2)n[nH]1 ZINC000096115126 568694617 /nfs/dbraw/zinc/69/46/17/568694617.db2.gz QLAGFMWCUOGIFC-SFHVURJKSA-N 0 1 402.414 2.281 50 0 biogenic HEAAMN COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O ZINC000096115537 568695236 /nfs/dbraw/zinc/69/52/36/568695236.db2.gz CPSONUGYLGOFFQ-ZDUSSCGKSA-N 0 1 414.414 2.126 50 0 biogenic HEAAMN O=C(CN1C(=O)CSc2ccccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000025452218 568769888 /nfs/dbraw/zinc/76/98/88/568769888.db2.gz LLGUMFYPQHFLMQ-UHFFFAOYSA-N 0 1 403.548 2.277 50 0 HEAAMN OCCN1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055729 568819059 /nfs/dbraw/zinc/81/90/59/568819059.db2.gz YROSPBQXYVDYAU-NRFANRHFSA-N 0 1 406.473 2.042 50 0 HEAAMN O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)NN1CCC[C@H]2C=CC=C[C@H]21 ZINC000230172896 568853789 /nfs/dbraw/zinc/85/37/89/568853789.db2.gz MJCOJEAMEBGKOA-NVXWUHKLSA-N 0 1 400.504 2.417 50 0 HEAAMN COc1ccccc1-n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000003985167 568931307 /nfs/dbraw/zinc/93/13/07/568931307.db2.gz OUQZQSNNIGHABI-HXUWFJFHSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN COCCn1c(S[C@@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc21 ZINC000004138706 568945793 /nfs/dbraw/zinc/94/57/93/568945793.db2.gz ZVMDUMPTWBMJBI-INIZCTEOSA-N 0 1 401.492 2.211 50 0 HEAAMN CCCN(CCC)Cc1cc(C(=O)N2CCN(c3nccc(OC)n3)CC2)no1 ZINC000084755180 568958255 /nfs/dbraw/zinc/95/82/55/568958255.db2.gz QJXYMGHDQZJPPB-UHFFFAOYSA-N 0 1 402.499 2.058 50 0 HEAAMN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)ccc21 ZINC000008074612 568972187 /nfs/dbraw/zinc/97/21/87/568972187.db2.gz YPSLSRGJRIEIGL-GOSISDBHSA-N 0 1 403.504 2.169 50 0 HEAAMN Cc1cc2c(cc1S(=O)(=O)NCCCN1CCc3ccccc3C1)OCC(=O)N2 ZINC000015822150 569010779 /nfs/dbraw/zinc/01/07/79/569010779.db2.gz SQENBKVNCUUAON-UHFFFAOYSA-N 0 1 415.515 2.053 50 0 HEAAMN CN(CCCn1ccnc1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000089346163 569058678 /nfs/dbraw/zinc/05/86/78/569058678.db2.gz CGKINWMJYFXDCF-UHFFFAOYSA-N 0 1 407.400 2.443 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000064593956 569069605 /nfs/dbraw/zinc/06/96/05/569069605.db2.gz DFGXFJYVLQWBIY-UHFFFAOYSA-N 0 1 409.534 2.293 50 0 HEAAMN O=C(NN1CC(=O)NC1=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000064655651 569076605 /nfs/dbraw/zinc/07/66/05/569076605.db2.gz FHSHSNCKOJYJAF-UHFFFAOYSA-N 0 1 417.013 2.154 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000064969570 569138166 /nfs/dbraw/zinc/13/81/66/569138166.db2.gz HPGKQNFUUUNBEZ-UHFFFAOYSA-N 0 1 403.439 2.090 50 0 HEAAMN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccccc3F)CC2)cn1C ZINC000007007106 569199818 /nfs/dbraw/zinc/19/98/18/569199818.db2.gz JXSWYALWIIXNKO-UHFFFAOYSA-N 0 1 423.510 2.141 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000036584211 569202961 /nfs/dbraw/zinc/20/29/61/569202961.db2.gz SBNUYFPHGYZBSJ-UYAOXDASSA-N 0 1 405.458 2.246 50 0 HEAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC)C(C)C ZINC000036601880 569205269 /nfs/dbraw/zinc/20/52/69/569205269.db2.gz PEIDLQFGFLMYJF-SJLPKXTDSA-N 0 1 416.478 2.282 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)CN2CCC(Cn3cnc4ccccc43)CC2)CC1 ZINC000036708851 569223912 /nfs/dbraw/zinc/22/39/12/569223912.db2.gz HYRHORXGMKMLGN-UHFFFAOYSA-N 0 1 413.522 2.049 50 0 HEAAMN CCOc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1O[C@H](C)C(=O)N(C)C ZINC000007127223 569225469 /nfs/dbraw/zinc/22/54/69/569225469.db2.gz WWGXNQPKKUVCPF-YJYMSZOUSA-N 0 1 422.489 2.387 50 0 HEAAMN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283001 569252582 /nfs/dbraw/zinc/25/25/82/569252582.db2.gz DJZSKOASQVNHSJ-KRWDZBQOSA-N 0 1 422.957 2.083 50 0 HEAAMN CCc1cc2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000014334039 569259597 /nfs/dbraw/zinc/25/95/97/569259597.db2.gz WEXRJMHALJHUPC-MRXNPFEDSA-N 0 1 400.475 2.132 50 0 HEAAMN CCc1cc2c(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1[O-] ZINC000014334039 569259599 /nfs/dbraw/zinc/25/95/99/569259599.db2.gz WEXRJMHALJHUPC-MRXNPFEDSA-N 0 1 400.475 2.132 50 0 HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(=O)[nH]c(=O)n(-c2ccc(F)cc2)c1[O-] ZINC000002130323 569287232 /nfs/dbraw/zinc/28/72/32/569287232.db2.gz ZJAOOEFPTNWAPN-LJQANCHMSA-N 0 1 422.416 2.096 50 0 biogenic HEAAMN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCCC2)ccc1F ZINC000013371931 569413042 /nfs/dbraw/zinc/41/30/42/569413042.db2.gz XKTZDEYRQBGSAH-ROUUACIJSA-N 0 1 403.541 2.386 50 0 HEAAMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2I)o1 ZINC000078661439 569414591 /nfs/dbraw/zinc/41/45/91/569414591.db2.gz CQNRPYHFPHYGKN-UHFFFAOYSA-N 0 1 407.185 2.472 50 0 HEAAMN Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000038670734 571059844 /nfs/dbraw/zinc/05/98/44/571059844.db2.gz SGFQYEMOYANACC-UHFFFAOYSA-N 0 1 403.430 2.260 50 0 HEAAMN O=C(c1[nH]nnc1Nc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000067284416 571063577 /nfs/dbraw/zinc/06/35/77/571063577.db2.gz RFBMITYZZVICDC-UHFFFAOYSA-N 0 1 424.436 2.374 50 0 HEAAMN CS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000040092330 571161490 /nfs/dbraw/zinc/16/14/90/571161490.db2.gz AMVZFLPUIJXYAG-MRXNPFEDSA-N 0 1 413.971 2.092 50 0 HEAAMN CCN1CCN(c2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)cn2)CC1 ZINC000040118612 571174695 /nfs/dbraw/zinc/17/46/95/571174695.db2.gz BXTXQYZUDYTFGP-UHFFFAOYSA-N 0 1 407.522 2.479 50 0 HEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153186 571231417 /nfs/dbraw/zinc/23/14/17/571231417.db2.gz UAZKBFAHDMPREC-UHFFFAOYSA-N 0 1 408.439 2.382 50 0 HEAAMN Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000005350575 132305224 /nfs/dbraw/zinc/30/52/24/132305224.db2.gz KBZUQFKNFLEREZ-UHFFFAOYSA-N 0 1 423.546 2.453 50 0 HEAAMN CC(C)CCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974324 519651354 /nfs/dbraw/zinc/65/13/54/519651354.db2.gz RIQKORPFOFKOFF-UHFFFAOYSA-N 0 1 409.596 2.354 50 0 HEAAMN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000045974215 521186180 /nfs/dbraw/zinc/18/61/80/521186180.db2.gz LBEJQXQOPNKEPS-UHFFFAOYSA-N 0 1 423.579 2.231 50 0 HEAAMN CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)cc1 ZINC000045944702 524010657 /nfs/dbraw/zinc/01/06/57/524010657.db2.gz JETMIUYSOUHPOF-UHFFFAOYSA-N 0 1 407.580 2.394 50 0 HEAAMN Cc1ccc(C)c(OC[C@H](O)CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000032900879 524181995 /nfs/dbraw/zinc/18/19/95/524181995.db2.gz MZBLFNSXCFMKFC-HXUWFJFHSA-N 0 1 418.559 2.486 50 0 HEAAMN Cc1nc(CNC(=O)c2ccc([C@@H]3CCCN3C(=O)C3CCOCC3)s2)n[nH]1 ZINC000020351583 526523776 /nfs/dbraw/zinc/52/37/76/526523776.db2.gz UNFNSWZVZXNMIE-AWEZNQCLSA-N 0 1 403.508 2.195 50 0 HEAAMN O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NC1CCCCCC1 ZINC000044901389 527415833 /nfs/dbraw/zinc/41/58/33/527415833.db2.gz NRVAENATESIEMH-UHFFFAOYSA-N 0 1 423.561 2.405 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)n1 ZINC000009620299 535520921 /nfs/dbraw/zinc/52/09/21/535520921.db2.gz DEBVYQDCVKFIIP-UHFFFAOYSA-N 0 1 415.494 2.205 50 0 HEAAMN CC(C)COC[C@@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667978 557361319 /nfs/dbraw/zinc/36/13/19/557361319.db2.gz IYHZBCHUNFVIGQ-NRFANRHFSA-N 0 1 412.534 2.489 50 0 HEAAMN O=C(c1[nH]nc2c1CN(C(=O)C1CCC1)CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000034790106 557469714 /nfs/dbraw/zinc/46/97/14/557469714.db2.gz KHPROVLJGQRNSS-UHFFFAOYSA-N 0 1 411.481 2.196 50 0 HEAAMN COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000012073230 558318273 /nfs/dbraw/zinc/31/82/73/558318273.db2.gz QTNFNECRELNVKX-JOCHJYFZSA-N 0 1 403.498 2.271 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000022241785 558471590 /nfs/dbraw/zinc/47/15/90/558471590.db2.gz HBSJNMGSVRFPPB-UHFFFAOYSA-N 0 1 419.522 2.217 50 0 HEAAMN O=C(CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)N1CCCC1 ZINC000023178953 558540569 /nfs/dbraw/zinc/54/05/69/558540569.db2.gz RJUPINXPILHHKX-UHFFFAOYSA-N 0 1 401.898 2.110 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000013576036 558543471 /nfs/dbraw/zinc/54/34/71/558543471.db2.gz LRBIMRVFMWSMMB-CDBMDMLJSA-N 0 1 419.481 2.154 50 0 HEAAMN COc1ccc(CN(Cc2cccs2)C[C@H](O)CN2CCOCC2)cc1OC ZINC000023763671 558575216 /nfs/dbraw/zinc/57/52/16/558575216.db2.gz VFURRMWBZJXWIJ-GOSISDBHSA-N 0 1 406.548 2.461 50 0 HEAAMN CN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000023845669 558577767 /nfs/dbraw/zinc/57/77/67/558577767.db2.gz VONLKZCIKASBPD-UHFFFAOYSA-N 0 1 403.504 2.401 50 0 HEAAMN CCCN(C(=O)CSc1n[nH]c(CC2CCCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000025078978 558630616 /nfs/dbraw/zinc/63/06/16/558630616.db2.gz DVYQBVDEHWMBCB-AWEZNQCLSA-N 0 1 400.570 2.055 50 0 HEAAMN CCCN(C(=O)CSc1nc(CC2CCCC2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000025078978 558630618 /nfs/dbraw/zinc/63/06/18/558630618.db2.gz DVYQBVDEHWMBCB-AWEZNQCLSA-N 0 1 400.570 2.055 50 0 HEAAMN CCCNC(=O)CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025230762 558635284 /nfs/dbraw/zinc/63/52/84/558635284.db2.gz WTTZYINTBIIMSK-LJQANCHMSA-N 0 1 408.546 2.299 50 0 HEAAMN O=C(CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)NC1CC1 ZINC000025231450 558635312 /nfs/dbraw/zinc/63/53/12/558635312.db2.gz OHZYZTGDQWMVDD-IBGZPJMESA-N 0 1 406.530 2.052 50 0 HEAAMN Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000014964381 558685205 /nfs/dbraw/zinc/68/52/05/558685205.db2.gz GBLMDGDOPDKZFZ-UHFFFAOYSA-N 0 1 411.481 2.278 50 0 HEAAMN O=C(C=C1SC(=O)[N-]C1=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000015005246 558698866 /nfs/dbraw/zinc/69/88/66/558698866.db2.gz KMESKSYXDIOSLA-WISAJEAXSA-N 0 1 415.515 2.183 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000016024722 558768569 /nfs/dbraw/zinc/76/85/69/558768569.db2.gz ILADSGPWFWVNAD-FDGPYGQJSA-N 0 1 419.481 2.155 50 0 HEAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2cccc(N(C)C)c2)c1 ZINC000035421836 558791148 /nfs/dbraw/zinc/79/11/48/558791148.db2.gz KGEKXZYBCLXCFW-UHFFFAOYSA-N 0 1 424.545 2.226 50 0 HEAAMN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(OC)c2)cc1 ZINC000035421867 558791166 /nfs/dbraw/zinc/79/11/66/558791166.db2.gz UBVZVNWSXGHHKW-UHFFFAOYSA-N 0 1 411.502 2.168 50 0 HEAAMN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000072314229 558842139 /nfs/dbraw/zinc/84/21/39/558842139.db2.gz PVVBYURAADNYBB-VQIMIIECSA-N 0 1 407.942 2.275 50 0 HEAAMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNCc1ccc(OC)cc1 ZINC000058164003 558906454 /nfs/dbraw/zinc/90/64/54/558906454.db2.gz RAOGMRRNZPVCTL-UHFFFAOYSA-N 0 1 405.476 2.069 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-n3nnnc3SC)c2)c1 ZINC000058229877 558913848 /nfs/dbraw/zinc/91/38/48/558913848.db2.gz ZFSSUMCERCJDRG-UHFFFAOYSA-N 0 1 407.477 2.202 50 0 HEAAMN CC(C)(C)OC(=O)N1CCC(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000058279189 558916145 /nfs/dbraw/zinc/91/61/45/558916145.db2.gz NMOCGHUQFUXTKY-UHFFFAOYSA-N 0 1 415.494 2.199 50 0 HEAAMN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCC(C)CC3)n[nH]2)ccc1OC ZINC000021806396 558952125 /nfs/dbraw/zinc/95/21/25/558952125.db2.gz HAHHMHBWNZUGNS-UHFFFAOYSA-N 0 1 406.508 2.256 50 0 HEAAMN CCNc1nc(C)cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)n1 ZINC000065361877 558972583 /nfs/dbraw/zinc/97/25/83/558972583.db2.gz ZYYICJHBAOCXEW-UHFFFAOYSA-N 0 1 415.494 2.205 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCCC2)n1 ZINC000065364681 558975766 /nfs/dbraw/zinc/97/57/66/558975766.db2.gz NSUDAUBEPYZTOW-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)c(OC)c1 ZINC000095522681 559085633 /nfs/dbraw/zinc/08/56/33/559085633.db2.gz PFMHLEARTXDJCV-OAHLLOKOSA-N 0 1 400.479 2.376 50 0 HEAAMN CCN(CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C ZINC000005058474 559238742 /nfs/dbraw/zinc/23/87/42/559238742.db2.gz OAGNDDNKICPYQA-UHFFFAOYSA-N 0 1 407.536 2.331 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000011858328 559263078 /nfs/dbraw/zinc/26/30/78/559263078.db2.gz SVGRGENFGBKFDE-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248223357 559269060 /nfs/dbraw/zinc/26/90/60/559269060.db2.gz ILADSGPWFWVNAD-SMOZNVCYSA-N 0 1 419.481 2.155 50 0 HEAAMN Nc1nc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(-n2cccn2)n1 ZINC000253422970 559280422 /nfs/dbraw/zinc/28/04/22/559280422.db2.gz NMLHHRUOZCCWDG-UHFFFAOYSA-N 0 1 413.507 2.031 50 0 HEAAMN COc1ccccc1N1CC[NH+](Cc2cc(=O)n3nc(-c4cccs4)[n-]c3n2)CC1 ZINC000101841958 560801251 /nfs/dbraw/zinc/80/12/51/560801251.db2.gz DQTPMADKUXSTMX-UHFFFAOYSA-N 0 1 422.514 2.477 50 0 HEAAMN CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(C(=O)[O-])c1 ZINC000033253222 568512091 /nfs/dbraw/zinc/51/20/91/568512091.db2.gz HVKWNCLKPWEROV-UHFFFAOYSA-N 0 1 407.467 2.218 50 0 HEAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccccc3NC2=O)cc1 ZINC000020410679 568605251 /nfs/dbraw/zinc/60/52/51/568605251.db2.gz KNFPTXPJFPQXSU-QPXQOZNCSA-N 0 1 403.438 2.126 50 0 biogenic HEAAMN COc1cccc(C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C2CC2)c1 ZINC000095461202 568620629 /nfs/dbraw/zinc/62/06/29/568620629.db2.gz DKFLAKGUEWHLRH-HXUWFJFHSA-N 0 1 405.458 2.352 50 0 HEAAMN COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000095476532 568630469 /nfs/dbraw/zinc/63/04/69/568630469.db2.gz POGGAOOEDBDUCT-CYBMUJFWSA-N 0 1 415.475 2.202 50 0 HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC ZINC000020761234 568642084 /nfs/dbraw/zinc/64/20/84/568642084.db2.gz BCRJAWIOWBIOSP-YJBOKZPZSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)nc2ccccn2c1=O ZINC000096115540 568695059 /nfs/dbraw/zinc/69/50/59/568695059.db2.gz AQCQAUNZLMLICN-ZDUSSCGKSA-N 0 1 414.414 2.121 50 0 biogenic HEAAMN C[C@@H](CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021534299 568711531 /nfs/dbraw/zinc/71/15/31/568711531.db2.gz YZULPJRCEMQHBO-KRWDZBQOSA-N 0 1 421.588 2.364 50 0 HEAAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022579337 568770467 /nfs/dbraw/zinc/77/04/67/568770467.db2.gz JCJDOPVLSHJNSV-FQEVSTJZSA-N 0 1 407.511 2.101 50 0 HEAAMN CNC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1 ZINC000002645520 568794910 /nfs/dbraw/zinc/79/49/10/568794910.db2.gz BCJSUEINHWRTKO-UHFFFAOYSA-N 0 1 407.473 2.475 50 0 HEAAMN CN(C)[C@@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000230078751 568831583 /nfs/dbraw/zinc/83/15/83/568831583.db2.gz QHZKNAZWHFFRKC-WIOPSUGQSA-N 0 1 412.493 2.354 50 0 HEAAMN CC(C)N1CCN(C(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1 ZINC000263615613 568910601 /nfs/dbraw/zinc/91/06/01/568910601.db2.gz DFOCLTHZICRDIQ-UHFFFAOYSA-N 0 1 410.566 2.377 50 0 HEAAMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670456241 568936344 /nfs/dbraw/zinc/93/63/44/568936344.db2.gz ZUGLNBQAVODAGP-AWEZNQCLSA-N 0 1 410.517 2.398 50 0 HEAAMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670456241 568936346 /nfs/dbraw/zinc/93/63/46/568936346.db2.gz ZUGLNBQAVODAGP-AWEZNQCLSA-N 0 1 410.517 2.398 50 0 HEAAMN O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340720 568946942 /nfs/dbraw/zinc/94/69/42/568946942.db2.gz WONQJNHABOUJAN-CQSZACIVSA-N 0 1 400.292 2.323 50 0 HEAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000006168867 569016304 /nfs/dbraw/zinc/01/63/04/569016304.db2.gz QYFDUOCDXQWVMC-HNNXBMFYSA-N 0 1 408.549 2.162 50 0 HEAAMN CCN1CCN(C(=O)c2cnc(-c3ccccc3)nc2N2CCN(CC)CC2)CC1 ZINC000036001275 569075071 /nfs/dbraw/zinc/07/50/71/569075071.db2.gz PKVINNUQYYFGIO-UHFFFAOYSA-N 0 1 408.550 2.063 50 0 HEAAMN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)CC[C@@H](C)C3 ZINC000006764634 569114374 /nfs/dbraw/zinc/11/43/74/569114374.db2.gz JPPQYLLUOJLTJJ-CQSZACIVSA-N 0 1 419.547 2.008 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000064969585 569138085 /nfs/dbraw/zinc/13/80/85/569138085.db2.gz FULYPCVYKNWESB-UHFFFAOYSA-N 0 1 406.439 2.149 50 0 HEAAMN CCOc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1 ZINC000064969717 569138632 /nfs/dbraw/zinc/13/86/32/569138632.db2.gz SPOUMCWKPZQLLP-UHFFFAOYSA-N 0 1 404.467 2.454 50 0 HEAAMN CCn1c(CN2CCC[C@@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908105 569178723 /nfs/dbraw/zinc/17/87/23/569178723.db2.gz NCOQCEAQLYOWIY-MRXNPFEDSA-N 0 1 406.552 2.309 50 0 HEAAMN COc1ccc(CCc2nnc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)[nH]2)cc1 ZINC000170625124 569249963 /nfs/dbraw/zinc/24/99/63/569249963.db2.gz JINRPQNTAZOFKC-INIZCTEOSA-N 0 1 407.478 2.244 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@H]3CCCN(c4ncccn4)C3)n2)cc1 ZINC000170625124 569249964 /nfs/dbraw/zinc/24/99/64/569249964.db2.gz JINRPQNTAZOFKC-INIZCTEOSA-N 0 1 407.478 2.244 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000017012889 569271402 /nfs/dbraw/zinc/27/14/02/569271402.db2.gz IQDDQEIMDXMPKR-UHFFFAOYSA-N 0 1 419.526 2.425 50 0 HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n(-c2ccccc2F)c1[O-] ZINC000002131088 569287210 /nfs/dbraw/zinc/28/72/10/569287210.db2.gz GELXPOOMVRUBOO-IBGZPJMESA-N 0 1 422.416 2.096 50 0 biogenic HEAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1Cl ZINC000013365074 569412272 /nfs/dbraw/zinc/41/22/72/569412272.db2.gz FAYWLKOPPQBIHH-UHFFFAOYSA-N 0 1 411.867 2.348 50 0 HEAAMN Cc1c(C(=O)NCCCCN2CCOCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040121362 571177503 /nfs/dbraw/zinc/17/75/03/571177503.db2.gz YJQUXBSFPSFXGK-UHFFFAOYSA-N 0 1 411.428 2.437 50 0 HEAAMN CC[C@]1(C)NC(=O)N(NC(=O)CNC(C)(C)c2ccc(Br)cc2)C1=O ZINC000040149546 571196974 /nfs/dbraw/zinc/19/69/74/571196974.db2.gz ZBKWMCJITHATCM-KRWDZBQOSA-N 0 1 411.300 2.026 50 0 HEAAMN Nc1nc(SCC(=O)N2CCc3ccccc32)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000009518023 571265599 /nfs/dbraw/zinc/26/55/99/571265599.db2.gz OERLEXVRWBBTLA-UHFFFAOYSA-N 0 1 421.482 2.286 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)CN2CCC(COCc3ccccc3)CC2)CC1 ZINC000070655717 571271598 /nfs/dbraw/zinc/27/15/98/571271598.db2.gz JAKPJUDMGIQEDS-UHFFFAOYSA-N 0 1 403.523 2.216 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)cc1 ZINC000009828636 571287054 /nfs/dbraw/zinc/28/70/54/571287054.db2.gz OLIVVWSGKJSUOX-UHFFFAOYSA-N 0 1 407.473 2.404 50 0 HEAAMN COC(=O)c1nc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)sc1C(C)C ZINC000095480146 571307242 /nfs/dbraw/zinc/30/72/42/571307242.db2.gz HUDFAIMSKOLPAV-UHFFFAOYSA-N 0 1 402.480 3.046 50 0 HEAAMN COc1ccccc1N1CCN(CCCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000002183634 132249121 /nfs/dbraw/zinc/24/91/21/132249121.db2.gz NMXMKHRTIDKBIR-IBGZPJMESA-N 0 1 400.523 2.414 50 0 HEAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000004079997 132270889 /nfs/dbraw/zinc/27/08/89/132270889.db2.gz VQQGQOFJSQIRDD-UHFFFAOYSA-N 0 1 413.474 2.251 50 0 HEAAMN COc1ccc2c(CCNC(=O)C3CCN(c4ncnc5[nH]cnc54)CC3)c[nH]c2c1 ZINC000008764330 132333136 /nfs/dbraw/zinc/33/31/36/132333136.db2.gz KBJBHLLTPLKHGA-UHFFFAOYSA-N 0 1 419.489 2.418 50 0 biogenic HEAAMN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012764093 132366796 /nfs/dbraw/zinc/36/67/96/132366796.db2.gz KZRZQRJGODMMEF-FQEVSTJZSA-N 0 1 413.497 2.366 50 0 HEAAMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000072313573 522554145 /nfs/dbraw/zinc/55/41/45/522554145.db2.gz XZTNRYLWPQJVBR-KRWDZBQOSA-N 0 1 404.511 2.133 50 0 HEAAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766190 523821332 /nfs/dbraw/zinc/82/13/32/523821332.db2.gz DDCMAPQZVZKXLH-SFHVURJKSA-N 0 1 416.547 2.109 50 0 HEAAMN COc1ccc(OC)c(-c2cc(C(=O)Nc3nn(C)c4c3C[C@H](C)C(=O)N4)[nH]n2)c1 ZINC000044213405 524791753 /nfs/dbraw/zinc/79/17/53/524791753.db2.gz IUZGMMZGOGVPQU-JTQLQIEISA-N 0 1 410.434 2.210 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc1 ZINC000045944302 525511062 /nfs/dbraw/zinc/51/10/62/525511062.db2.gz KWJXMDZYBYBRBY-UHFFFAOYSA-N 0 1 415.559 2.050 50 0 HEAAMN O=C1COc2ccc(S(=O)(=O)Nc3cc(F)ccc3Sc3nc[nH]n3)cc2N1 ZINC000032932328 527015661 /nfs/dbraw/zinc/01/56/61/527015661.db2.gz FVAMEBZRQXJOPI-UHFFFAOYSA-N 0 1 421.435 2.227 50 0 HEAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC ZINC000001164615 557220050 /nfs/dbraw/zinc/22/00/50/557220050.db2.gz ABNDBUVGPMZHCQ-UXBLZVDNSA-N 0 1 402.188 2.269 50 0 HEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677588 557365217 /nfs/dbraw/zinc/36/52/17/557365217.db2.gz ZMNJDHUVWLBPRE-SFHVURJKSA-N 0 1 418.513 2.412 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CCN(C)CC2)cc1 ZINC000022778547 557821125 /nfs/dbraw/zinc/82/11/25/557821125.db2.gz VARYJVLEIDXWDK-NRFANRHFSA-N 0 1 424.545 2.355 50 0 HEAAMN C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1)c1ccccc1 ZINC000022778688 557821485 /nfs/dbraw/zinc/82/14/85/557821485.db2.gz YXXZAANTXFBFKZ-DYESRHJHSA-N 0 1 412.509 2.108 50 0 HEAAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 ZINC000022796230 557823074 /nfs/dbraw/zinc/82/30/74/557823074.db2.gz ABWNZTLBMLSMHY-OAQYLSRUSA-N 0 1 412.509 2.486 50 0 HEAAMN Nc1nonc1C(=O)NCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000009194438 557827295 /nfs/dbraw/zinc/82/72/95/557827295.db2.gz SVQPGJYPWXLKMD-UHFFFAOYSA-N 0 1 401.854 2.404 50 0 HEAAMN COc1cccc2ccc(CN3CCc4nnc([C@H](C)NC(=O)C5CC5)n4CC3)nc21 ZINC000011790302 558277153 /nfs/dbraw/zinc/27/71/53/558277153.db2.gz YOONMBUFSJQQBO-HNNXBMFYSA-N 0 1 420.517 2.480 50 0 HEAAMN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1OC)CC2 ZINC000011880157 558294686 /nfs/dbraw/zinc/29/46/86/558294686.db2.gz ZQZIHHGEYMPDHS-SFHVURJKSA-N 0 1 415.538 2.195 50 0 HEAAMN COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1O ZINC000011973489 558305308 /nfs/dbraw/zinc/30/53/08/558305308.db2.gz WSQFPLDWERIREO-KRWDZBQOSA-N 0 1 401.511 2.274 50 0 HEAAMN O=C(NCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)c1cccc(F)c1 ZINC000012080166 558320848 /nfs/dbraw/zinc/32/08/48/558320848.db2.gz WMJVXZIYJSIORF-UHFFFAOYSA-N 0 1 421.476 2.340 50 0 HEAAMN CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000012163992 558342198 /nfs/dbraw/zinc/34/21/98/558342198.db2.gz BFOUIMGYGDUJBA-HNNXBMFYSA-N 0 1 401.511 2.016 50 0 HEAAMN COc1ccccc1CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000020212159 558347944 /nfs/dbraw/zinc/34/79/44/558347944.db2.gz VZNHRBQXOIEANO-UHFFFAOYSA-N 0 1 409.465 2.414 50 0 HEAAMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)C1 ZINC000012206999 558353000 /nfs/dbraw/zinc/35/30/00/558353000.db2.gz GXGUEDVKLYVEDJ-CYBMUJFWSA-N 0 1 401.419 2.133 50 0 HEAAMN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)CC1 ZINC000020455187 558369041 /nfs/dbraw/zinc/36/90/41/558369041.db2.gz VGSKMYIOTHBTDF-QGZVFWFLSA-N 0 1 407.584 2.482 50 0 HEAAMN C[C@H](c1ccon1)N(C)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000012301689 558371584 /nfs/dbraw/zinc/37/15/84/558371584.db2.gz FFMNVIYFPXMFGW-CQSZACIVSA-N 0 1 402.524 2.355 50 0 HEAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CCc3ccccc3)CC2)nc1 ZINC000022015846 558458153 /nfs/dbraw/zinc/45/81/53/558458153.db2.gz BPDYDQDDGVKALN-UHFFFAOYSA-N 0 1 402.564 2.477 50 0 HEAAMN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)CC1=O ZINC000022509229 558492731 /nfs/dbraw/zinc/49/27/31/558492731.db2.gz GKICOBVEZQGEEJ-SFHVURJKSA-N 0 1 407.518 2.387 50 0 HEAAMN COC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566224 558540948 /nfs/dbraw/zinc/54/09/48/558540948.db2.gz JEWBGQYMZCBVPN-ORAYPTAESA-N 0 1 403.479 2.359 50 0 HEAAMN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC1(N2CCOCC2)CCCCC1 ZINC000023736306 558572133 /nfs/dbraw/zinc/57/21/33/558572133.db2.gz ZYSKVEXMFLGHDM-UHFFFAOYSA-N 0 1 412.534 2.397 50 0 HEAAMN Cc1ncc(CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccccc3)C2)[nH]1 ZINC000014535299 558658067 /nfs/dbraw/zinc/65/80/67/558658067.db2.gz KHEKNUPCVUPXQK-JOCHJYFZSA-N 0 1 412.534 2.374 50 0 HEAAMN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2 ZINC000014882730 558676738 /nfs/dbraw/zinc/67/67/38/558676738.db2.gz DWJFRBCABIMMMI-HNNXBMFYSA-N 0 1 403.552 2.272 50 0 HEAAMN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(COC)o2)CC3)CC1 ZINC000015068848 558711470 /nfs/dbraw/zinc/71/14/70/558711470.db2.gz OASKRNDGNKXONX-IBGZPJMESA-N 0 1 419.522 2.329 50 0 HEAAMN CSCC[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022256 558768162 /nfs/dbraw/zinc/76/81/62/558768162.db2.gz KZZWSFLSIRDUQY-GXNBUGAJSA-N 0 1 405.495 2.098 50 0 HEAAMN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3cn[nH]c3C)s2)cc1 ZINC000032987809 558807744 /nfs/dbraw/zinc/80/77/44/558807744.db2.gz POBUHTKPUQQZDM-UHFFFAOYSA-N 0 1 414.491 2.470 50 0 HEAAMN Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033804 558857768 /nfs/dbraw/zinc/85/77/68/558857768.db2.gz HJESCVCPXSDFMQ-UHFFFAOYSA-N 0 1 416.547 2.344 50 0 HEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033034188 558858279 /nfs/dbraw/zinc/85/82/79/558858279.db2.gz PIEWGYJWNHFLOH-UHFFFAOYSA-N 0 1 402.520 2.037 50 0 HEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000033034222 558858445 /nfs/dbraw/zinc/85/84/45/558858445.db2.gz QDOBOQONCTUJRO-UHFFFAOYSA-N 0 1 416.547 2.345 50 0 HEAAMN O=C(CCCN1CCCC1=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055284713 558878514 /nfs/dbraw/zinc/87/85/14/558878514.db2.gz PGWPUXYXBQKAGY-OAQYLSRUSA-N 0 1 416.541 2.341 50 0 HEAAMN C[C@@H]1CN(C2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)CCO1 ZINC000058159829 558904806 /nfs/dbraw/zinc/90/48/06/558904806.db2.gz DYULUAOVUIVYAL-GFCCVEGCSA-N 0 1 408.886 2.388 50 0 HEAAMN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)no1 ZINC000058251273 558915089 /nfs/dbraw/zinc/91/50/89/558915089.db2.gz GLWRNHIIBPKNJS-GFCCVEGCSA-N 0 1 418.523 2.445 50 0 HEAAMN CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033253235 558921191 /nfs/dbraw/zinc/92/11/91/558921191.db2.gz BIFASGKZRJPXOE-UHFFFAOYSA-N 0 1 407.467 2.218 50 0 HEAAMN Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(F)cc3)nc(C)n2)c1C ZINC000072119352 558927919 /nfs/dbraw/zinc/92/79/19/558927919.db2.gz VYURZNLLPNPBMH-UHFFFAOYSA-N 0 1 404.471 2.117 50 0 HEAAMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1N(C)S(C)(=O)=O ZINC000065362605 558973454 /nfs/dbraw/zinc/97/34/54/558973454.db2.gz FCMPIUWTYQZIJO-UHFFFAOYSA-N 0 1 416.547 2.395 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCCCC2)n1 ZINC000065363468 558974499 /nfs/dbraw/zinc/97/44/99/558974499.db2.gz VTBLXIPEPGYSCH-UHFFFAOYSA-N 0 1 419.526 2.425 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Cc3noc4ccccc43)CC2)nc(N2CCCC2)n1 ZINC000067604599 558988618 /nfs/dbraw/zinc/98/86/18/558988618.db2.gz XEDVBLBKUHIADV-UHFFFAOYSA-N 0 1 406.490 2.418 50 0 HEAAMN O=C1NCCN1c1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000095503032 559082563 /nfs/dbraw/zinc/08/25/63/559082563.db2.gz WFDYFDGJLRVHJX-IBGZPJMESA-N 0 1 400.548 2.347 50 0 HEAAMN CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3F)c(C(N)=O)n2)c1O ZINC000005143448 559251609 /nfs/dbraw/zinc/25/16/09/559251609.db2.gz YGLBQGFVAINSTP-UHFFFAOYSA-N 0 1 409.377 2.118 50 0 HEAAMN O=C(c1[nH]nc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000005178227 559289076 /nfs/dbraw/zinc/28/90/76/559289076.db2.gz BGWVNFPLLBBHEU-UHFFFAOYSA-N 0 1 404.879 2.363 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345747 560570030 /nfs/dbraw/zinc/57/00/30/560570030.db2.gz RGQPXDXCEJXXTL-VWXURSGXSA-N 0 1 419.909 2.143 50 0 HEAAMN COc1cc(-c2cc(C(=O)N3CC(Oc4nccs4)C3)n[nH]2)cc(OC)c1OC ZINC000206921098 560749763 /nfs/dbraw/zinc/74/97/63/560749763.db2.gz LAWRSNKLFFCJFC-UHFFFAOYSA-N 0 1 416.459 2.462 50 0 HEAAMN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000012201314 560891689 /nfs/dbraw/zinc/89/16/89/560891689.db2.gz HVDBBQMBEKWCSI-UHFFFAOYSA-N 0 1 417.443 2.108 50 0 HEAAMN COc1ccc(CN2CCC(NC(=O)CN3Cc4ccccc4C3=O)CC2)cc1OC ZINC000604418525 568492982 /nfs/dbraw/zinc/49/29/82/568492982.db2.gz JWWYLMWXRBQNRD-UHFFFAOYSA-N 0 1 423.513 2.440 50 0 HEAAMN CCN1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604646 568636387 /nfs/dbraw/zinc/63/63/87/568636387.db2.gz DGKRQOLBLRMHDH-QFIPXVFZSA-N 0 1 415.534 2.244 50 0 HEAAMN CCc1nn(C)c(Cl)c1CNC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000095981153 568675426 /nfs/dbraw/zinc/67/54/26/568675426.db2.gz IFJGJLNEKODEKG-DLBZAZTESA-N 0 1 401.942 2.324 50 0 HEAAMN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2[nH]ncc2NS(C)(=O)=O)C1 ZINC000095998660 568679902 /nfs/dbraw/zinc/67/99/02/568679902.db2.gz FHWOEDBPOKERHS-OAHLLOKOSA-N 0 1 406.508 2.183 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[S@](C)=O)c1 ZINC000096012193 568684456 /nfs/dbraw/zinc/68/44/56/568684456.db2.gz YAALHNAHCFSVLY-LOKFHWFJSA-N 0 1 424.544 2.335 50 0 HEAAMN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096115316 568694843 /nfs/dbraw/zinc/69/48/43/568694843.db2.gz HWPAZKDRDPFDQE-LBPRGKRZSA-N 0 1 404.806 2.463 50 0 biogenic HEAAMN COc1cccc(CC(=O)N2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC2)c1 ZINC000096324917 568734669 /nfs/dbraw/zinc/73/46/69/568734669.db2.gz MDUQGZKFBMXGJU-UHFFFAOYSA-N 0 1 405.458 2.007 50 0 HEAAMN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C ZINC000021698331 568741223 /nfs/dbraw/zinc/74/12/23/568741223.db2.gz OFZRTDTUKKZZLR-HXUWFJFHSA-N 0 1 408.502 2.222 50 0 HEAAMN CC(C)CN1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398481 568747389 /nfs/dbraw/zinc/74/73/89/568747389.db2.gz WLERCFIAHBXALK-QGZVFWFLSA-N 0 1 419.591 2.126 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1C ZINC000025136096 568751397 /nfs/dbraw/zinc/75/13/97/568751397.db2.gz NIRJQJFPZOHVDT-UHFFFAOYSA-N 0 1 407.580 2.257 50 0 HEAAMN Cc1c(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cnn1C ZINC000299759021 568873091 /nfs/dbraw/zinc/87/30/91/568873091.db2.gz GQVHWVQAGOYXGR-NRFANRHFSA-N 0 1 416.497 2.138 50 0 HEAAMN COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000003465617 568907289 /nfs/dbraw/zinc/90/72/89/568907289.db2.gz PFUWXIONWWGZMQ-UHFFFAOYSA-N 0 1 418.471 2.240 50 0 HEAAMN O=C(CNC(=O)c1cccc(Br)c1)NCCN1CCc2ccccc2C1 ZINC000031338723 568924387 /nfs/dbraw/zinc/92/43/87/568924387.db2.gz WOKMVUUHNMNTJH-UHFFFAOYSA-N 0 1 416.319 2.353 50 0 HEAAMN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c(OC)c1 ZINC000031808805 568931875 /nfs/dbraw/zinc/93/18/75/568931875.db2.gz XVDZQBQEBSOCBL-CYBMUJFWSA-N 0 1 405.418 2.338 50 0 HEAAMN COc1ccccc1[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1 ZINC000008272217 568986348 /nfs/dbraw/zinc/98/63/48/568986348.db2.gz HLMXMAJSIWXDOP-HXUWFJFHSA-N 0 1 406.486 2.358 50 0 HEAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1 ZINC000085628137 569005011 /nfs/dbraw/zinc/00/50/11/569005011.db2.gz HBASXIUPKGKGGN-GOSISDBHSA-N 0 1 411.550 2.187 50 0 HEAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1C ZINC000015862661 569015941 /nfs/dbraw/zinc/01/59/41/569015941.db2.gz AVCMPRYRJZZCIG-UHFFFAOYSA-N 0 1 407.580 2.367 50 0 HEAAMN CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022058096 569031672 /nfs/dbraw/zinc/03/16/72/569031672.db2.gz FDTBGWCEKRVLGI-QFBILLFUSA-N 0 1 415.490 2.133 50 0 HEAAMN COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000035349329 569033469 /nfs/dbraw/zinc/03/34/69/569033469.db2.gz PGSHOSRLMHINHS-QFIPXVFZSA-N 0 1 407.514 2.265 50 0 HEAAMN CN1CCN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cc3)cn2)CC1 ZINC000012984862 569047717 /nfs/dbraw/zinc/04/77/17/569047717.db2.gz RJUKGMBGMREQAL-UHFFFAOYSA-N 0 1 405.449 2.434 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035991506 569074647 /nfs/dbraw/zinc/07/46/47/569074647.db2.gz NKNXHACNPBJEDA-IBGZPJMESA-N 0 1 420.941 2.491 50 0 HEAAMN COc1cccc(CN(CCN2CCOCC2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103588 569092177 /nfs/dbraw/zinc/09/21/77/569092177.db2.gz IQVYIHSTGMBYET-IBGZPJMESA-N 0 1 410.555 2.014 50 0 HEAAMN COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1 ZINC000064976657 569139773 /nfs/dbraw/zinc/13/97/73/569139773.db2.gz KEVNMWLFOKTTSO-UHFFFAOYSA-N 0 1 411.867 2.348 50 0 HEAAMN Cc1cn(C)c(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-] ZINC000064980570 569140913 /nfs/dbraw/zinc/14/09/13/569140913.db2.gz DHEAVPIZIWKQGH-UHFFFAOYSA-N 0 1 418.925 2.166 50 0 HEAAMN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000065244041 569204638 /nfs/dbraw/zinc/20/46/38/569204638.db2.gz XCVJZHWMPQMWIY-IEBWSBKVSA-N 0 1 416.566 2.273 50 0 HEAAMN O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCN2CCCC[C@@H]2C1 ZINC000065475256 569231364 /nfs/dbraw/zinc/23/13/64/569231364.db2.gz KNNBOSIAGUCNBE-CABCVRRESA-N 0 1 406.324 2.499 50 0 HEAAMN CCN(CC)CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000089968976 569270317 /nfs/dbraw/zinc/27/03/17/569270317.db2.gz QFXSPNAZBZUJJJ-QGZVFWFLSA-N 0 1 419.547 2.215 50 0 HEAAMN O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H](NCc3ccccc3F)C[C@@H]12 ZINC000014732504 569271381 /nfs/dbraw/zinc/27/13/81/569271381.db2.gz CPYLCVBTMDJIOD-WDSOQIARSA-N 0 1 401.869 2.279 50 0 HEAAMN O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1CCc1ccc(F)cc1 ZINC000002130077 569286452 /nfs/dbraw/zinc/28/64/52/569286452.db2.gz SQJFGFRYTXTCLK-FQEVSTJZSA-N 0 1 420.444 2.340 50 0 biogenic HEAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000253384882 569364849 /nfs/dbraw/zinc/36/48/49/569364849.db2.gz QMLNGBPKBHKELV-FLYNJVNLSA-N 0 1 415.877 2.494 50 0 HEAAMN CN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000027678420 569389617 /nfs/dbraw/zinc/38/96/17/569389617.db2.gz CXHGVTILQASUAT-HNNXBMFYSA-N 0 1 415.968 2.489 50 0 HEAAMN C[C@@H](NC(=O)[C@H](C)N1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972805 569422547 /nfs/dbraw/zinc/42/25/47/569422547.db2.gz FNXBHKZKWSKYRN-MSOLQXFVSA-N 0 1 407.530 2.205 50 0 HEAAMN Nc1nc(SCC(=O)Nc2ccccc2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000008683769 571101305 /nfs/dbraw/zinc/10/13/05/571101305.db2.gz JRCHJRMUCCJSOY-UHFFFAOYSA-N 0 1 401.473 2.397 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c1 ZINC000040019973 571139396 /nfs/dbraw/zinc/13/93/96/571139396.db2.gz QIDOFBFFJMMDFZ-CYBMUJFWSA-N 0 1 406.460 2.439 50 0 HEAAMN CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)c(C)c2)c1O ZINC000008914186 571150311 /nfs/dbraw/zinc/15/03/11/571150311.db2.gz NDFYIIARXUWNHJ-FQEVSTJZSA-N 0 1 405.454 2.342 50 0 HEAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)N3CCC(C)CC3)CC2)c1 ZINC000040091338 571161271 /nfs/dbraw/zinc/16/12/71/571161271.db2.gz DJEUWLWBSAECAQ-UHFFFAOYSA-N 0 1 408.612 2.464 50 0 HEAAMN CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000245108442 571214528 /nfs/dbraw/zinc/21/45/28/571214528.db2.gz SXLOPMFUMIYYIU-JOCHJYFZSA-N 0 1 413.562 2.363 50 0 HEAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009356443 571251242 /nfs/dbraw/zinc/25/12/42/571251242.db2.gz JLHIDGIRIMVDRP-CQSZACIVSA-N 0 1 417.487 2.219 50 0 HEAAMN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000009516906 571265133 /nfs/dbraw/zinc/26/51/33/571265133.db2.gz SWQIJHWYGPRNJP-UTKZUKDTSA-N 0 1 418.925 2.314 50 0 HEAAMN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1=O ZINC000009516907 571265146 /nfs/dbraw/zinc/26/51/46/571265146.db2.gz SWQIJHWYGPRNJP-DYESRHJHSA-N 0 1 418.925 2.314 50 0 HEAAMN CC(C)N1CCN(C(=O)c2ccc(CC3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000581805200 1078781522 /nfs/dbraw/zinc/78/15/22/1078781522.db2.gz DVKQHZDLLJUPIP-UHFFFAOYSA-N 0 1 407.580 2.067 50 0 HEAAMN CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000012069418 132353295 /nfs/dbraw/zinc/35/32/95/132353295.db2.gz CATVNJWQRRUDOJ-UHFFFAOYSA-N 0 1 410.518 2.352 50 0 HEAAMN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000012323751 132358564 /nfs/dbraw/zinc/35/85/64/132358564.db2.gz ZPXICNFCAZNCNV-UHFFFAOYSA-N 0 1 413.290 2.171 50 0 HEAAMN Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000012510869 132361119 /nfs/dbraw/zinc/36/11/19/132361119.db2.gz MGJRJUUXGKXCPB-CQSZACIVSA-N 0 1 403.552 2.439 50 0 HEAAMN NC(=O)c1ccc(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012865378 132368073 /nfs/dbraw/zinc/36/80/73/132368073.db2.gz HZSIDNVNNLKDLL-UHFFFAOYSA-N 0 1 421.423 2.350 50 0 HEAAMN CCOC(=O)C1C(COC(=O)c2ccc(N(C)C)nc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000032831419 520522899 /nfs/dbraw/zinc/52/28/99/520522899.db2.gz HJOYNCZMPQHBFQ-IBGZPJMESA-N 0 1 424.457 2.176 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000020566500 520563178 /nfs/dbraw/zinc/56/31/78/520563178.db2.gz ILADSGPWFWVNAD-CMCWBKRRSA-N 0 1 419.481 2.155 50 0 HEAAMN CCN(CC)CCN(C)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 ZINC000020601369 520642709 /nfs/dbraw/zinc/64/27/09/520642709.db2.gz BLEJFIINNAYPDM-UHFFFAOYSA-N 0 1 422.595 2.125 50 0 HEAAMN COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCCN(C)CC3)cs2)c1 ZINC000040356101 522859544 /nfs/dbraw/zinc/85/95/44/522859544.db2.gz BWTXLFACEQTTSF-UHFFFAOYSA-N 0 1 404.492 2.190 50 0 HEAAMN CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000032961996 525214313 /nfs/dbraw/zinc/21/43/13/525214313.db2.gz OIHLIRADCUKMKS-UHFFFAOYSA-N 0 1 407.467 2.218 50 0 HEAAMN Cc1ccc(OC[C@@H](O)CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000032900880 525429832 /nfs/dbraw/zinc/42/98/32/525429832.db2.gz FBZZWNOSHPCWKG-FQEVSTJZSA-N 0 1 418.559 2.486 50 0 HEAAMN COc1ccc(OC)c(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000000787390 557080621 /nfs/dbraw/zinc/08/06/21/557080621.db2.gz CZJQANADZOWCDH-UHFFFAOYSA-N 0 1 406.552 2.206 50 0 HEAAMN COc1ccc(NC(=O)c2coc(CN3CCN(C[C@@H](O)C(C)C)CC3)n2)cc1 ZINC000034678405 557366668 /nfs/dbraw/zinc/36/66/68/557366668.db2.gz LFXOKBBDXSMHGZ-LJQANCHMSA-N 0 1 402.495 2.070 50 0 HEAAMN COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c1=O ZINC000022697649 557784327 /nfs/dbraw/zinc/78/43/27/557784327.db2.gz MUIQKSIKZJBNJX-HXUWFJFHSA-N 0 1 405.926 2.499 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CCN(C)CC2)cc1 ZINC000022796529 557823345 /nfs/dbraw/zinc/82/33/45/557823345.db2.gz WJFUYYQJYNXDMZ-QHCPKHFHSA-N 0 1 422.573 2.149 50 0 HEAAMN COc1ccc(COC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1OC ZINC000019720574 558259051 /nfs/dbraw/zinc/25/90/51/558259051.db2.gz CNLLRLCGVLQCBP-OAQYLSRUSA-N 0 1 400.519 2.399 50 0 HEAAMN CCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000019742742 558262995 /nfs/dbraw/zinc/26/29/95/558262995.db2.gz NNGRDGCQAXTWPN-UHFFFAOYSA-N 0 1 411.481 2.490 50 0 HEAAMN COC[C@@H]1CCCCN1Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000019794417 558283753 /nfs/dbraw/zinc/28/37/53/558283753.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 0 1 405.568 2.174 50 0 HEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000019831128 558291474 /nfs/dbraw/zinc/29/14/74/558291474.db2.gz CXIARQGLULCCFF-UHFFFAOYSA-N 0 1 400.910 2.213 50 0 HEAAMN CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000019837293 558293148 /nfs/dbraw/zinc/29/31/48/558293148.db2.gz CJQDGXLTVQXQHF-UHFFFAOYSA-N 0 1 420.517 2.449 50 0 HEAAMN COCCCNc1nc2nonc2nc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000012052291 558314644 /nfs/dbraw/zinc/31/46/44/558314644.db2.gz QKWZIGLIJBRILD-UHFFFAOYSA-N 0 1 415.473 2.313 50 0 HEAAMN COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135597 558333801 /nfs/dbraw/zinc/33/38/01/558333801.db2.gz ZVUOMNWPCBXZOY-HNNXBMFYSA-N 0 1 401.511 2.187 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(NC(C)=O)cc2)C(=O)N3)cc1 ZINC000020738231 558408377 /nfs/dbraw/zinc/40/83/77/558408377.db2.gz MEYZJIVAVOIDJJ-KRWDZBQOSA-N 0 1 420.429 2.434 50 0 HEAAMN COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(OC)c1 ZINC000020776143 558412167 /nfs/dbraw/zinc/41/21/67/558412167.db2.gz KLIWMRHIEFMCOK-UHFFFAOYSA-N 0 1 421.501 2.284 50 0 HEAAMN CC(C)CS(=O)(=O)c1ncc(CN2CC[C@@H](N(C)C)C2)n1Cc1ccccc1 ZINC000020910389 558422164 /nfs/dbraw/zinc/42/21/64/558422164.db2.gz OPTKRAPEDMJUTL-LJQANCHMSA-N 0 1 404.580 2.497 50 0 HEAAMN COC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566233 558541107 /nfs/dbraw/zinc/54/11/07/558541107.db2.gz HPQPUHWWPCAXES-ARGWCVDVSA-N 0 1 417.506 2.463 50 0 HEAAMN COC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566233 558541109 /nfs/dbraw/zinc/54/11/09/558541109.db2.gz HPQPUHWWPCAXES-ARGWCVDVSA-N 0 1 417.506 2.463 50 0 HEAAMN Cc1cccc2c(=O)n(CCC(=O)NCC3(N4CCOCC4)CCCCC3)cnc12 ZINC000014186802 558631188 /nfs/dbraw/zinc/63/11/88/558631188.db2.gz QULFJFMKURXWPM-UHFFFAOYSA-N 0 1 412.534 2.246 50 0 HEAAMN CN1CCN(c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)cn2)CC1 ZINC000025139757 558632552 /nfs/dbraw/zinc/63/25/52/558632552.db2.gz QFPONRWDJLINEX-UHFFFAOYSA-N 0 1 409.412 2.100 50 0 HEAAMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccsc1 ZINC000025330769 558638745 /nfs/dbraw/zinc/63/87/45/558638745.db2.gz PFXWOFPTQXRQCR-GOSISDBHSA-N 0 1 407.561 2.493 50 0 HEAAMN CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O ZINC000014538577 558658930 /nfs/dbraw/zinc/65/89/30/558658930.db2.gz MTDGACYYLOMJKI-UHOSZYNNSA-N 0 1 415.925 2.129 50 0 HEAAMN O=C(c1[nH]nc2ccccc21)N1CC(=O)N(Cc2cccnc2)C[C@H](OCC2CC2)C1 ZINC000014747646 558669730 /nfs/dbraw/zinc/66/97/30/558669730.db2.gz SUKGGWXLLOWGEF-SFHVURJKSA-N 0 1 419.485 2.238 50 0 HEAAMN CCN1CCC(N(C)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000027970996 558685564 /nfs/dbraw/zinc/68/55/64/558685564.db2.gz YPAVXHHYJSQWJI-UHFFFAOYSA-N 0 1 407.458 2.084 50 0 HEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4OC)n3)c(C)n2)CC1 ZINC000036235729 558798476 /nfs/dbraw/zinc/79/84/76/558798476.db2.gz YPTYVCXWEJZRLA-UHFFFAOYSA-N 0 1 421.505 2.429 50 0 HEAAMN COc1ccc(N2C(=O)C[C@@H](NCCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000018116141 558831466 /nfs/dbraw/zinc/83/14/66/558831466.db2.gz CWRGXIWWEOXZIV-QGZVFWFLSA-N 0 1 401.850 2.000 50 0 HEAAMN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000072314228 558842152 /nfs/dbraw/zinc/84/21/52/558842152.db2.gz PVVBYURAADNYBB-APWZRJJASA-N 0 1 407.942 2.275 50 0 HEAAMN COc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2cccc(C)c2)cc1OC ZINC000033032796 558857041 /nfs/dbraw/zinc/85/70/41/558857041.db2.gz LTMXVZLECVICFW-UHFFFAOYSA-N 0 1 411.502 2.086 50 0 HEAAMN Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1N1CC[NH2+]CC1 ZINC000033033792 558857800 /nfs/dbraw/zinc/85/78/00/558857800.db2.gz PFMILKXVVGOJML-UHFFFAOYSA-N 0 1 416.547 2.344 50 0 HEAAMN COc1ccc(CNCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1OC ZINC000059722076 558938464 /nfs/dbraw/zinc/93/84/64/558938464.db2.gz NGCUHAVJKMCXPO-UHFFFAOYSA-N 0 1 410.478 2.333 50 0 HEAAMN Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(N2CCOCC2)n1 ZINC000064799854 558965795 /nfs/dbraw/zinc/96/57/95/558965795.db2.gz SEENSALKHVOCJB-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000065363502 558974575 /nfs/dbraw/zinc/97/45/75/558974575.db2.gz HWQMTMRSAQWDNX-UHFFFAOYSA-N 0 1 416.547 2.395 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(F)ccc2F)n1 ZINC000067601878 558987469 /nfs/dbraw/zinc/98/74/69/558987469.db2.gz MOLFMZWKTSKBTH-UHFFFAOYSA-N 0 1 411.478 2.444 50 0 HEAAMN CCc1nc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3c(-c3ccc(OC)cc3)n2n1 ZINC000095115671 559079438 /nfs/dbraw/zinc/07/94/38/559079438.db2.gz IZEDWBJFEYSKEV-UHFFFAOYSA-N 0 1 402.418 2.093 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000095511692 559084031 /nfs/dbraw/zinc/08/40/31/559084031.db2.gz PFZQKYSCMGLJPJ-UHFFFAOYSA-N 0 1 402.882 2.226 50 0 HEAAMN COC(=O)c1sccc1NC(=O)C[C@H](C[N@@H+](C)Cc1c(C)nn(C)c1C)C(=O)[O-] ZINC000072403300 559190123 /nfs/dbraw/zinc/19/01/23/559190123.db2.gz FHNVEXLLNBCOOK-CYBMUJFWSA-N 0 1 422.507 2.046 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000011858326 559263159 /nfs/dbraw/zinc/26/31/59/559263159.db2.gz SUACTVYWMOLWNM-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000011898733 559265499 /nfs/dbraw/zinc/26/54/99/559265499.db2.gz QHZFJTFJAWGROV-GOSISDBHSA-N 0 1 412.490 2.426 50 0 HEAAMN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21c2cc(C)ccc2NC1=O ZINC000061997613 560565062 /nfs/dbraw/zinc/56/50/62/560565062.db2.gz XHJOIIABHPKMBG-QLBZUPSYSA-N 0 1 417.465 2.435 50 0 biogenic HEAAMN COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000005483829 560596682 /nfs/dbraw/zinc/59/66/82/560596682.db2.gz HJLVOEMTJPHODK-ISPUEKSMSA-N 0 1 409.486 2.457 50 0 HEAAMN Cc1cn2c(nc3c2c(=O)n(CCN2CCCCC2)c(=O)n3C)n1-c1ccc(F)cc1 ZINC000005695816 560786361 /nfs/dbraw/zinc/78/63/61/560786361.db2.gz MLFLCAGKAZJFMW-UHFFFAOYSA-N 0 1 424.480 2.072 50 0 HEAAMN COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=NN2)cc1 ZINC000101763076 560800888 /nfs/dbraw/zinc/80/08/88/560800888.db2.gz CMRXBLJGZMBCIN-HNNXBMFYSA-N 0 1 412.833 2.332 50 0 HEAAMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000105352085 560870905 /nfs/dbraw/zinc/87/09/05/560870905.db2.gz WDEINBOUOXDXJQ-VKDGWMQASA-N 0 1 401.466 2.156 50 0 HEAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCN(C)CC2)cc1Cl ZINC000021157133 568462210 /nfs/dbraw/zinc/46/22/10/568462210.db2.gz LTXMEDTYQLOUNP-IBGZPJMESA-N 0 1 417.941 2.030 50 0 HEAAMN CCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2oc1=O ZINC000020287058 568597036 /nfs/dbraw/zinc/59/70/36/568597036.db2.gz XKDYMTBRSZGABT-UHFFFAOYSA-N 0 1 420.443 2.275 50 0 HEAAMN Cc1cc2c(cc1S(=O)(=O)NC1CCN(Cc3ccccc3)CC1)OCC(=O)N2 ZINC000020491694 568614740 /nfs/dbraw/zinc/61/47/40/568614740.db2.gz QBPAAVOYDNXNJU-UHFFFAOYSA-N 0 1 415.515 2.269 50 0 HEAAMN Cc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)N2CCCC2)o1 ZINC000225522783 568646674 /nfs/dbraw/zinc/64/66/74/568646674.db2.gz MSBMEALNMAWFCD-BWAGFHJFSA-N 0 1 411.502 2.440 50 0 HEAAMN C[C@H](C(=O)N1CCCC1)N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000095941569 568661926 /nfs/dbraw/zinc/66/19/26/568661926.db2.gz DHQBWJMARHUWLX-CQSZACIVSA-N 0 1 420.355 2.454 50 0 HEAAMN CCN1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097864 568665429 /nfs/dbraw/zinc/66/54/29/568665429.db2.gz CUPGAHFQSSVMIZ-NRFANRHFSA-N 0 1 403.498 2.375 50 0 HEAAMN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnc2nc(C)[nH]c2c1 ZINC000096011688 568684183 /nfs/dbraw/zinc/68/41/83/568684183.db2.gz PAFWHDROYWJNCB-UHFFFAOYSA-N 0 1 413.503 2.500 50 0 HEAAMN COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)nc2ccccn2c1=O ZINC000096113861 568693345 /nfs/dbraw/zinc/69/33/45/568693345.db2.gz RKOXKXWZKXKORZ-ZDUSSCGKSA-N 0 1 422.393 2.210 50 0 biogenic HEAAMN O=S(=O)(Nc1ccccc1Br)c1ccc2c(c1)S(=O)(=O)NC=N2 ZINC000012414931 568717585 /nfs/dbraw/zinc/71/75/85/568717585.db2.gz LUSMYOYAVPXVEQ-UHFFFAOYSA-N 0 1 416.278 2.202 50 0 HEAAMN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1OC ZINC000096324877 568734516 /nfs/dbraw/zinc/73/45/16/568734516.db2.gz IMWAQTRVRAMTBL-UHFFFAOYSA-N 0 1 421.457 2.087 50 0 HEAAMN CN(C)CCCN(C(=O)c1csc(-c2ccsc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000096989738 568765978 /nfs/dbraw/zinc/76/59/78/568765978.db2.gz KACDSJXHGLNQPL-AWEZNQCLSA-N 0 1 413.590 2.453 50 0 HEAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCOCC1 ZINC000002973730 568832138 /nfs/dbraw/zinc/83/21/38/568832138.db2.gz PLSFXLNEQDBPAM-UHFFFAOYSA-N 0 1 412.309 2.087 50 0 HEAAMN COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000031810816 568932409 /nfs/dbraw/zinc/93/24/09/568932409.db2.gz IAUZLKLAOKNAED-INIZCTEOSA-N 0 1 407.268 2.392 50 0 HEAAMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670456242 568936423 /nfs/dbraw/zinc/93/64/23/568936423.db2.gz ZUGLNBQAVODAGP-CQSZACIVSA-N 0 1 410.517 2.398 50 0 HEAAMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670456242 568936425 /nfs/dbraw/zinc/93/64/25/568936425.db2.gz ZUGLNBQAVODAGP-CQSZACIVSA-N 0 1 410.517 2.398 50 0 HEAAMN COc1ccc(C(=O)OCC(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000007976835 568963105 /nfs/dbraw/zinc/96/31/05/568963105.db2.gz DBSIRURUECOAGT-UHFFFAOYSA-N 0 1 406.460 2.049 50 0 HEAAMN COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c(OC)c1OC ZINC000015679334 568966272 /nfs/dbraw/zinc/96/62/72/568966272.db2.gz LHKBCIKPEKMQEQ-UHFFFAOYSA-N 0 1 400.479 2.271 50 0 HEAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037739 568969874 /nfs/dbraw/zinc/96/98/74/568969874.db2.gz JZAIFYAPDRWYGF-FQEVSTJZSA-N 0 1 413.543 2.475 50 0 HEAAMN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000015733289 568982962 /nfs/dbraw/zinc/98/29/62/568982962.db2.gz LFGNMXZFCFXGKL-UHFFFAOYSA-N 0 1 414.531 2.448 50 0 HEAAMN COc1ccccc1[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)N1CCCC1 ZINC000006084801 568997130 /nfs/dbraw/zinc/99/71/30/568997130.db2.gz JHKBGYPXTMVNPC-WOJBJXKFSA-N 0 1 410.518 2.228 50 0 HEAAMN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000015773304 568999019 /nfs/dbraw/zinc/99/90/19/568999019.db2.gz SYDBUUWTSKNTSV-QHCPKHFHSA-N 0 1 406.530 2.293 50 0 HEAAMN Cc1cccc2nc(CCNC(=O)C[C@H]3C(=O)NCCN3Cc3cccc(F)c3)[nH]c21 ZINC000053537223 569031427 /nfs/dbraw/zinc/03/14/27/569031427.db2.gz SUVITXXGZDVZSK-IBGZPJMESA-N 0 1 423.492 2.060 50 0 HEAAMN COc1ccc(NC(=O)c2ccc(CN3CCC(S(N)(=O)=O)CC3)cc2)cc1 ZINC000089444348 569060541 /nfs/dbraw/zinc/06/05/41/569060541.db2.gz MYVRGFNPCSVVQN-UHFFFAOYSA-N 0 1 403.504 2.200 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000035991427 569074641 /nfs/dbraw/zinc/07/46/41/569074641.db2.gz JTWJSAAUKDOEGV-HXUWFJFHSA-N 0 1 400.523 2.228 50 0 HEAAMN CCOC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cn1C ZINC000006800610 569126897 /nfs/dbraw/zinc/12/68/97/569126897.db2.gz NGQWSZMUXUCDCU-UHFFFAOYSA-N 0 1 405.520 2.145 50 0 HEAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3cccc4nsnc43)n[nH]2)c1 ZINC000064969838 569138630 /nfs/dbraw/zinc/13/86/30/569138630.db2.gz SPKFNGWDTCWIAH-UHFFFAOYSA-N 0 1 414.516 2.230 50 0 HEAAMN C[C@@H]1CCCCN1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839871 569151182 /nfs/dbraw/zinc/15/11/82/569151182.db2.gz LMHVELFNZZDADC-OAHLLOKOSA-N 0 1 416.547 2.369 50 0 HEAAMN C[C@@H]1CCCN(CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839838 569151214 /nfs/dbraw/zinc/15/12/14/569151214.db2.gz RIUQQNMSTBTXQE-OAHLLOKOSA-N 0 1 416.547 2.226 50 0 HEAAMN CCN1CCN(c2ncc(N3CCC(C(=O)NC4CCCCC4)CC3)cn2)CC1 ZINC000065166760 569188784 /nfs/dbraw/zinc/18/87/84/569188784.db2.gz XJDIWMOCCRPTJT-UHFFFAOYSA-N 0 1 400.571 2.284 50 0 HEAAMN COCCN1CCn2cc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2C1=O ZINC000065254838 569207458 /nfs/dbraw/zinc/20/74/58/569207458.db2.gz KWHFFDYYMZTZQP-UHFFFAOYSA-N 0 1 413.883 2.053 50 0 HEAAMN COc1cc(NC(=O)NCCNc2nc(C)cc(N(C)C)n2)cc(OC)c1OC ZINC000036708132 569222148 /nfs/dbraw/zinc/22/21/48/569222148.db2.gz NFZZAFFIRPPDEY-UHFFFAOYSA-N 0 1 404.471 2.110 50 0 HEAAMN CC(C)CN1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312958 569222342 /nfs/dbraw/zinc/22/23/42/569222342.db2.gz CHLVIVZHYDATBL-MRXNPFEDSA-N 0 1 404.946 2.399 50 0 HEAAMN CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O ZINC000000896449 569276827 /nfs/dbraw/zinc/27/68/27/569276827.db2.gz JSZILQVIPPROJI-QYZOEREBSA-N 0 1 404.507 2.423 50 0 world HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000007775101 569308481 /nfs/dbraw/zinc/30/84/81/569308481.db2.gz VIZMTWDYFKRFOQ-UHFFFAOYSA-N 0 1 414.462 2.363 50 0 HEAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000253384883 569364855 /nfs/dbraw/zinc/36/48/55/569364855.db2.gz QMLNGBPKBHKELV-QHIFUMFDSA-N 0 1 415.877 2.494 50 0 HEAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@@]12C(=O)Nc1ccccc12 ZINC000253384881 569364889 /nfs/dbraw/zinc/36/48/89/569364889.db2.gz QMLNGBPKBHKELV-CQOXBNLESA-N 0 1 415.877 2.494 50 0 HEAAMN CN(C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000027678424 569389577 /nfs/dbraw/zinc/38/95/77/569389577.db2.gz CXHGVTILQASUAT-OAHLLOKOSA-N 0 1 415.968 2.489 50 0 HEAAMN CN(C[C@H](O)CN1CCN(C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000078996085 569423143 /nfs/dbraw/zinc/42/31/43/569423143.db2.gz ZGGGOVLSINHQOX-INIZCTEOSA-N 0 1 402.366 2.383 50 0 HEAAMN NC(=O)C1(NCC(=O)Nc2ccccc2I)CCCCC1 ZINC000079023308 569424415 /nfs/dbraw/zinc/42/44/15/569424415.db2.gz NMIILGMCPVFPOV-UHFFFAOYSA-N 0 1 401.248 2.008 50 0 HEAAMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2ccncc2O)C1 ZINC000079054636 569425816 /nfs/dbraw/zinc/42/58/16/569425816.db2.gz VGYUSPOLLCXJHO-LLVKDONJSA-N 0 1 405.252 2.436 50 0 HEAAMN CCN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019819892 569430672 /nfs/dbraw/zinc/43/06/72/569430672.db2.gz MOKOSZLQBJIXRW-IBGZPJMESA-N 0 1 417.531 2.072 50 0 HEAAMN NC(=O)C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000008764523 571115047 /nfs/dbraw/zinc/11/50/47/571115047.db2.gz HNYPDTWPAUGLIS-UHFFFAOYSA-N 0 1 422.437 2.268 50 0 biogenic HEAAMN Cc1ccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)nc1 ZINC000009153144 571231407 /nfs/dbraw/zinc/23/14/07/571231407.db2.gz LAQDJRQZXZXMNE-UHFFFAOYSA-N 0 1 422.466 2.425 50 0 HEAAMN CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccc(F)cc2)c1O ZINC000009358978 571251465 /nfs/dbraw/zinc/25/14/65/571251465.db2.gz RJEFVMYEMLRILS-IBGZPJMESA-N 0 1 406.417 2.429 50 0 biogenic HEAAMN CCOc1ccc(CNS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1OC ZINC000009606099 571273151 /nfs/dbraw/zinc/27/31/51/571273151.db2.gz CIVYFGPTXZJWQC-UHFFFAOYSA-N 0 1 423.516 2.259 50 0 HEAAMN Cc1noc2nc(CCC(=O)NCCc3cnc[nH]3)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000035526647 571316926 /nfs/dbraw/zinc/31/69/26/571316926.db2.gz PLXFNCRLOWIPSS-KBPBESRZSA-N 0 1 411.510 2.423 50 0 HEAAMN CCn1cc(S(=O)(=O)N2CCC[C@@H](n3c(C)cnc3C3CCOCC3)C2)cn1 ZINC000575546478 1076344621 /nfs/dbraw/zinc/34/46/21/1076344621.db2.gz OYLIRSXXGYBOJK-QGZVFWFLSA-N 0 1 407.540 2.328 50 0 HEAAMN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)CC1 ZINC000008992795 132334497 /nfs/dbraw/zinc/33/44/97/132334497.db2.gz BHOCBZQMXTWHLE-CYBMUJFWSA-N 0 1 420.901 2.024 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548941 520562962 /nfs/dbraw/zinc/56/29/62/520562962.db2.gz MURBGNLIIHCKGI-IHSNIMORSA-N 0 1 405.495 2.099 50 0 HEAAMN COc1ccc(OC)c(CNCc2cccn2-c2nnc(N3CCOCC3)s2)c1 ZINC000020576755 524835688 /nfs/dbraw/zinc/83/56/88/524835688.db2.gz NJXCYKWWAIQWPR-UHFFFAOYSA-N 0 1 415.519 2.472 50 0 HEAAMN Cc1ccccc1N(CC(=O)NC[C@H](c1cccc(F)c1)N(C)C)S(C)(=O)=O ZINC000040162014 525216670 /nfs/dbraw/zinc/21/66/70/525216670.db2.gz DPPYMHASGSIFAW-LJQANCHMSA-N 0 1 407.511 2.319 50 0 HEAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)n1 ZINC000009620844 535520718 /nfs/dbraw/zinc/52/07/18/535520718.db2.gz PTJQZKIZKQZGRY-UHFFFAOYSA-N 0 1 405.524 2.126 50 0 HEAAMN CN1CCN(c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000007725895 536424260 /nfs/dbraw/zinc/42/42/60/536424260.db2.gz MXUZQIALJMPCPT-UHFFFAOYSA-N 0 1 414.531 2.366 50 0 HEAAMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000001117616 557188382 /nfs/dbraw/zinc/18/83/82/557188382.db2.gz UKIYZBKVBWZEOZ-UHFFFAOYSA-N 0 1 409.416 2.078 50 0 HEAAMN CCOC(=O)C1C(CSc2nccn2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000001425279 557261174 /nfs/dbraw/zinc/26/11/74/557261174.db2.gz VEPRTSSNPMELEB-INIZCTEOSA-N 0 1 402.476 2.392 50 0 HEAAMN CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)N1CCN(C)CC1 ZINC000097324291 557270090 /nfs/dbraw/zinc/27/00/90/557270090.db2.gz NLXGXLPGUNMASX-GFCCVEGCSA-N 0 1 410.403 2.061 50 0 HEAAMN CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677358 557364797 /nfs/dbraw/zinc/36/47/97/557364797.db2.gz RCRCYSSQZYPFLB-SFHVURJKSA-N 0 1 404.486 2.022 50 0 HEAAMN C[C@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCO1 ZINC000005041625 557628605 /nfs/dbraw/zinc/62/86/05/557628605.db2.gz SGIFMUWXDOFORS-WFASDCNBSA-N 0 1 407.521 2.131 50 0 HEAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000007360476 557739732 /nfs/dbraw/zinc/73/97/32/557739732.db2.gz MLVIQWSGXGNHJO-UHFFFAOYSA-N 0 1 420.487 2.367 50 0 HEAAMN Cc1ccc(OCCOCCN2CCN(C)CC2)c(I)c1 ZINC000019792475 558283460 /nfs/dbraw/zinc/28/34/60/558283460.db2.gz AIXGMCRIBSMLHB-UHFFFAOYSA-N 0 1 404.292 2.242 50 0 HEAAMN COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135595 558333794 /nfs/dbraw/zinc/33/37/94/558333794.db2.gz ZVUOMNWPCBXZOY-OAHLLOKOSA-N 0 1 401.511 2.187 50 0 HEAAMN COc1cc(CNCc2ccc(F)cc2F)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020208675 558347213 /nfs/dbraw/zinc/34/72/13/558347213.db2.gz JTMNIXJMAGCICP-LJQANCHMSA-N 0 1 422.472 2.335 50 0 HEAAMN O=C(Cc1n[nH]c(=O)[n-]1)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000020352049 558356908 /nfs/dbraw/zinc/35/69/08/558356908.db2.gz CDPWCPFOJKPIRF-MRXNPFEDSA-N 0 1 403.914 2.055 50 0 HEAAMN O=C(NC[C@@H]1COCCO1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012307908 558376480 /nfs/dbraw/zinc/37/64/80/558376480.db2.gz ORRWQWYIDLEFPW-HXUWFJFHSA-N 0 1 411.502 2.270 50 0 HEAAMN Cc1cccc2nc(CN(C)Cc3cnc(S(C)(=O)=O)n3C[C@@H]3CCCO3)[nH]c21 ZINC000012316860 558380298 /nfs/dbraw/zinc/38/02/98/558380298.db2.gz LMIRNIPVYSSWEO-INIZCTEOSA-N 0 1 417.535 2.282 50 0 HEAAMN CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000020517988 558383123 /nfs/dbraw/zinc/38/31/23/558383123.db2.gz BBJAVEZXMFGKFY-XWQURZDVSA-N 0 1 407.445 2.402 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc4c(c2)OCO4)C(=O)N3)cc1 ZINC000020717547 558401886 /nfs/dbraw/zinc/40/18/86/558401886.db2.gz ORFUJZCKBYLICQ-CQSZACIVSA-N 0 1 407.386 2.204 50 0 HEAAMN COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000020726539 558405034 /nfs/dbraw/zinc/40/50/34/558405034.db2.gz CSFUYVCAZQIMHW-BONVTDFDSA-N 0 1 407.268 2.391 50 0 HEAAMN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3csc(C)n3)c2)CC1 ZINC000020782381 558413240 /nfs/dbraw/zinc/41/32/40/558413240.db2.gz VNZZIPLVURRNSP-NRFANRHFSA-N 0 1 418.607 2.461 50 0 HEAAMN O=C(CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000021534856 558440927 /nfs/dbraw/zinc/44/09/27/558440927.db2.gz WRVIYDYYKSYTAS-QGZVFWFLSA-N 0 1 413.440 2.149 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccc(C)o3)ccc21 ZINC000059747288 558481284 /nfs/dbraw/zinc/48/12/84/558481284.db2.gz RWJRJGOJXAOTKR-UHFFFAOYSA-N 0 1 405.520 2.250 50 0 HEAAMN CCn1c(=S)n(CN2CCN(Cc3ccccc3)CC2)nc1N1CCOCC1 ZINC000023257478 558546709 /nfs/dbraw/zinc/54/67/09/558546709.db2.gz SWARVDQNUXEORG-UHFFFAOYSA-N 0 1 402.568 2.046 50 0 HEAAMN O=C(Cc1cccnc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375053 558554524 /nfs/dbraw/zinc/55/45/24/558554524.db2.gz WDQRLHRPXSRNLF-NRFANRHFSA-N 0 1 422.529 2.162 50 0 HEAAMN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000014047937 558615334 /nfs/dbraw/zinc/61/53/34/558615334.db2.gz UIDHVTZQVLLNLG-LJQANCHMSA-N 0 1 424.501 2.090 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329118 558638190 /nfs/dbraw/zinc/63/81/90/558638190.db2.gz JNGPFHZANKXHDS-NVXWUHKLSA-N 0 1 415.515 2.291 50 0 HEAAMN CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2 ZINC000014540250 558659586 /nfs/dbraw/zinc/65/95/86/558659586.db2.gz RLTZQHJIPRHJTG-UHFFFAOYSA-N 0 1 423.473 2.347 50 0 HEAAMN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccccc3Cl)C[C@@H]12 ZINC000014541330 558660164 /nfs/dbraw/zinc/66/01/64/558660164.db2.gz NPCFNRQNUOZASB-IHPCNDPISA-N 0 1 413.905 2.114 50 0 HEAAMN CC(=O)NCC(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014968560 558686621 /nfs/dbraw/zinc/68/66/21/558686621.db2.gz PWGVYYFXROZCCB-HXUWFJFHSA-N 0 1 405.514 2.181 50 0 HEAAMN CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022103 558767852 /nfs/dbraw/zinc/76/78/52/558767852.db2.gz DGFGEQTWBFZXIJ-KTIHBUSBSA-N 0 1 421.472 2.445 50 0 HEAAMN CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022102 558767866 /nfs/dbraw/zinc/76/78/66/558767866.db2.gz DGFGEQTWBFZXIJ-XHOYROJHSA-N 0 1 421.472 2.445 50 0 HEAAMN C[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022240 558768186 /nfs/dbraw/zinc/76/81/86/558768186.db2.gz VFEXCJGQOMAQCM-SUAZZXKWSA-N 0 1 409.873 2.323 50 0 HEAAMN CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)CC1 ZINC000004583386 558773213 /nfs/dbraw/zinc/77/32/13/558773213.db2.gz MGJVYYSMDFAFLA-UHFFFAOYSA-N 0 1 414.941 2.234 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H]3CN(CC(C)C)CCO3)CC2)cc1 ZINC000016427498 558790770 /nfs/dbraw/zinc/79/07/70/558790770.db2.gz IOSCWJMKROTXTO-HXUWFJFHSA-N 0 1 409.596 2.048 50 0 HEAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2cccc(OC)c2)c1 ZINC000035421834 558791142 /nfs/dbraw/zinc/79/11/42/558791142.db2.gz SAESJMQTPSJDMC-UHFFFAOYSA-N 0 1 411.502 2.168 50 0 HEAAMN CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)c1 ZINC000035421687 558791205 /nfs/dbraw/zinc/79/12/05/558791205.db2.gz SAHUJNATPFFXLC-UHFFFAOYSA-N 0 1 422.529 2.152 50 0 HEAAMN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000072314227 558842157 /nfs/dbraw/zinc/84/21/57/558842157.db2.gz PVVBYURAADNYBB-QFBILLFUSA-N 0 1 407.942 2.275 50 0 HEAAMN CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033458 558857806 /nfs/dbraw/zinc/85/78/06/558857806.db2.gz BBDBRDRWYAETOO-UHFFFAOYSA-N 0 1 416.547 2.161 50 0 HEAAMN CCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033034153 558858332 /nfs/dbraw/zinc/85/83/32/558858332.db2.gz VSCPKGJNWUBIQF-UHFFFAOYSA-N 0 1 416.547 2.264 50 0 HEAAMN CCCCN1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000072329678 558865105 /nfs/dbraw/zinc/86/51/05/558865105.db2.gz KDZPYBCXXHQGLH-UHFFFAOYSA-N 0 1 424.505 2.007 50 0 HEAAMN CCN1CCN(c2nccc(-c3cnc4nc(-c5cccnc5)nn4c3C)n2)CC1 ZINC000054202028 558866729 /nfs/dbraw/zinc/86/67/29/558866729.db2.gz DOXUNCZDBBPTOQ-UHFFFAOYSA-N 0 1 401.478 2.094 50 0 HEAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000055568736 558882951 /nfs/dbraw/zinc/88/29/51/558882951.db2.gz WIJOWMMEGVRXRI-HXUWFJFHSA-N 0 1 416.566 2.226 50 0 HEAAMN Cc1noc(C)c1CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000033048302 558885382 /nfs/dbraw/zinc/88/53/82/558885382.db2.gz AQMKKRQIXZUTFQ-UHFFFAOYSA-N 0 1 414.535 2.329 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(NC2CCCCC2)n1 ZINC000065361966 558972511 /nfs/dbraw/zinc/97/25/11/558972511.db2.gz ZCITXFZNFWWCHS-UHFFFAOYSA-N 0 1 416.551 2.436 50 0 HEAAMN COc1cccc(OCCOC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023224717 559062760 /nfs/dbraw/zinc/06/27/60/559062760.db2.gz BEQUTUGOIHZQOT-FQEVSTJZSA-N 0 1 404.482 2.413 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000005075418 559240863 /nfs/dbraw/zinc/24/08/63/559240863.db2.gz NSNNWUJARFVMBP-UHFFFAOYSA-N 0 1 412.489 2.045 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c(OC)c1 ZINC000005075770 559240871 /nfs/dbraw/zinc/24/08/71/559240871.db2.gz WIPHMKIVHINWKE-UHFFFAOYSA-N 0 1 412.489 2.045 50 0 HEAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011858090 559262714 /nfs/dbraw/zinc/26/27/14/559262714.db2.gz DCQQTSVHMCGMDH-UHFFFAOYSA-N 0 1 424.500 2.261 50 0 HEAAMN CCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000050997171 560539230 /nfs/dbraw/zinc/53/92/30/560539230.db2.gz XCVJZHWMPQMWIY-PKOBYXMFSA-N 0 1 416.566 2.273 50 0 HEAAMN CCOc1ccc2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2c1 ZINC000005667526 560738919 /nfs/dbraw/zinc/73/89/19/560738919.db2.gz BOGWWQAOCVCKKM-UHFFFAOYSA-N 0 1 406.489 2.340 50 0 HEAAMN COc1cc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc(OC)c1OC ZINC000011697778 560773895 /nfs/dbraw/zinc/77/38/95/560773895.db2.gz GWTUNGLTIXCORZ-UHFFFAOYSA-N 0 1 424.461 2.483 50 0 HEAAMN COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3O)=NN2)cc1 ZINC000101762595 560800631 /nfs/dbraw/zinc/80/06/31/560800631.db2.gz FPFWYIFTUPKMOO-HNNXBMFYSA-N 0 1 412.833 2.332 50 0 HEAAMN CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3O)=NN2)cc1 ZINC000101762773 560800742 /nfs/dbraw/zinc/80/07/42/560800742.db2.gz FNOPGNXONZKOFZ-OAHLLOKOSA-N 0 1 422.441 2.077 50 0 HEAAMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000048229815 568433369 /nfs/dbraw/zinc/43/33/69/568433369.db2.gz FXAJXZSHXILQGB-GFCCVEGCSA-N 0 1 405.549 2.224 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214202 568594718 /nfs/dbraw/zinc/59/47/18/568594718.db2.gz WQOUTLSRWODWAK-GOSISDBHSA-N 0 1 406.914 2.149 50 0 HEAAMN Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCN3CCN(C)CC3)sc21 ZINC000020329225 568599069 /nfs/dbraw/zinc/59/90/69/568599069.db2.gz JJCRGTSXPFSXDQ-UHFFFAOYSA-N 0 1 401.511 2.418 50 0 HEAAMN COc1cc(NS(=O)(=O)c2cc(Br)cnc2N)cc(OC)c1OC ZINC000020467603 568610613 /nfs/dbraw/zinc/61/06/13/568610613.db2.gz OIWNPFQLCOKJRY-UHFFFAOYSA-N 0 1 418.269 2.253 50 0 HEAAMN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)s1 ZINC000095455481 568616995 /nfs/dbraw/zinc/61/69/95/568616995.db2.gz ZEVONMYFNNFXIK-MRXNPFEDSA-N 0 1 413.609 2.216 50 0 HEAAMN COc1cccc(C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C2CC2)c1 ZINC000095461201 568620666 /nfs/dbraw/zinc/62/06/66/568620666.db2.gz DKFLAKGUEWHLRH-FQEVSTJZSA-N 0 1 405.458 2.352 50 0 HEAAMN Cc1nc(CN2CCN(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)CC2)n[nH]1 ZINC000095467076 568624599 /nfs/dbraw/zinc/62/45/99/568624599.db2.gz WMJFIQGSNSILOX-QGZVFWFLSA-N 0 1 414.510 2.411 50 0 HEAAMN COc1ccccc1-c1n[nH]c(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000040154201 568626066 /nfs/dbraw/zinc/62/60/66/568626066.db2.gz VVRYJEFXIMMEFD-UHFFFAOYSA-N 0 1 406.446 2.366 50 0 HEAAMN CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCc4ccncc4)CC3)n[nH]2)c1C ZINC000095480499 568633176 /nfs/dbraw/zinc/63/31/76/568633176.db2.gz DJPQCXZFCVNQFU-UHFFFAOYSA-N 0 1 407.522 2.305 50 0 HEAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC)C(C)C ZINC000020763643 568642673 /nfs/dbraw/zinc/64/26/73/568642673.db2.gz OURKBYWXMCAJLX-HKUYNNGSSA-N 0 1 416.478 2.282 50 0 biogenic HEAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000020763567 568642748 /nfs/dbraw/zinc/64/27/48/568642748.db2.gz OILDWJOAASVCNK-LWLIDHTLSA-N 0 1 414.462 2.383 50 0 biogenic HEAAMN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 ZINC000020953711 568653661 /nfs/dbraw/zinc/65/36/61/568653661.db2.gz VUFWTJIOAHYBAP-HXUWFJFHSA-N 0 1 423.604 2.207 50 0 HEAAMN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 ZINC000020953715 568653691 /nfs/dbraw/zinc/65/36/91/568653691.db2.gz VUFWTJIOAHYBAP-FQEVSTJZSA-N 0 1 423.604 2.207 50 0 HEAAMN COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)nc2ccccn2c1=O ZINC000096115539 568695139 /nfs/dbraw/zinc/69/51/39/568695139.db2.gz AQCQAUNZLMLICN-CYBMUJFWSA-N 0 1 414.414 2.121 50 0 biogenic HEAAMN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000012521056 568841472 /nfs/dbraw/zinc/84/14/72/568841472.db2.gz PPLGQWMOAQKJSY-UHFFFAOYSA-N 0 1 419.322 2.466 50 0 HEAAMN CCc1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 ZINC000299760684 568873297 /nfs/dbraw/zinc/87/32/97/568873297.db2.gz WPUZGCVBPYYGCN-OAQYLSRUSA-N 0 1 416.497 2.382 50 0 HEAAMN COc1ccc(-c2n[nH]c(SCCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 ZINC000012622633 568877520 /nfs/dbraw/zinc/87/75/20/568877520.db2.gz LUDDACUNRCLXLV-UHFFFAOYSA-N 0 1 416.484 2.417 50 0 HEAAMN CCC[N@H+]1CCC[C@@H](NC(=O)c2cn(CCc3ccccc3)cc(C(=O)[O-])c2=O)C1 ZINC000670444386 568903588 /nfs/dbraw/zinc/90/35/88/568903588.db2.gz NHRRSAROYBZVOJ-GOSISDBHSA-N 0 1 411.502 2.393 50 0 HEAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000012651312 568906626 /nfs/dbraw/zinc/90/66/26/568906626.db2.gz FQBAMKOIBJESDJ-UHFFFAOYSA-N 0 1 424.280 2.449 50 0 HEAAMN CCCCCn1c(N2CCN(Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316431 568962121 /nfs/dbraw/zinc/96/21/21/568962121.db2.gz ZBLXKWUKTTYYST-UHFFFAOYSA-N 0 1 424.549 2.244 50 0 HEAAMN CCc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccc(F)cc2)cc1 ZINC000015864249 569016410 /nfs/dbraw/zinc/01/64/10/569016410.db2.gz JWVKQFMCOFEAQP-UHFFFAOYSA-N 0 1 419.522 2.011 50 0 HEAAMN CC(C)[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969562 569025185 /nfs/dbraw/zinc/02/51/85/569025185.db2.gz NRMUVLTVWIKAPL-AZXNSQLWSA-N 0 1 403.482 2.306 50 0 biogenic HEAAMN O=C(NCCN1CCCCC1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000035429337 569036606 /nfs/dbraw/zinc/03/66/06/569036606.db2.gz HTVXSQVDXZDYDA-UHFFFAOYSA-N 0 1 413.497 2.284 50 0 HEAAMN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)cc1OC ZINC000036095589 569089910 /nfs/dbraw/zinc/08/99/10/569089910.db2.gz CAINMOMNRPFSGL-LJQANCHMSA-N 0 1 410.555 2.014 50 0 HEAAMN CC1CCN(C(=O)c2cnn3c2n(C)c2c(c3=O)CN(Cc3ccccc3)CC2)CC1 ZINC000064836044 569104556 /nfs/dbraw/zinc/10/45/56/569104556.db2.gz XMHHKBFHFXQYLO-UHFFFAOYSA-N 0 1 419.529 2.463 50 0 HEAAMN CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1 ZINC000064843926 569107684 /nfs/dbraw/zinc/10/76/84/569107684.db2.gz XIMTXYVHMPVPFF-UHFFFAOYSA-N 0 1 410.471 2.108 50 0 HEAAMN COc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3ccc(C)cc3)n2)cc1OC ZINC000064969639 569138464 /nfs/dbraw/zinc/13/84/64/569138464.db2.gz ZOSFAEPBFGDWJK-UHFFFAOYSA-N 0 1 416.503 2.242 50 0 HEAAMN CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000239578987 569235192 /nfs/dbraw/zinc/23/51/92/569235192.db2.gz DDAFNHFXBJEMPI-FQEVSTJZSA-N 0 1 413.562 2.363 50 0 HEAAMN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283002 569252563 /nfs/dbraw/zinc/25/25/63/569252563.db2.gz DJZSKOASQVNHSJ-QGZVFWFLSA-N 0 1 422.957 2.083 50 0 HEAAMN COCCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000013850808 569258194 /nfs/dbraw/zinc/25/81/94/569258194.db2.gz MGDMPBUTGFASIQ-UHFFFAOYSA-N 0 1 412.895 2.455 50 0 HEAAMN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)c(OC)c1 ZINC000016944733 569268057 /nfs/dbraw/zinc/26/80/57/569268057.db2.gz YHZGIXSZGJTZQO-UHFFFAOYSA-N 0 1 415.490 2.499 50 0 HEAAMN Nc1c(NC[C@@H](c2ccco2)N2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000007737465 569304869 /nfs/dbraw/zinc/30/48/69/569304869.db2.gz RFVBEXXBFARRII-KRWDZBQOSA-N 0 1 409.490 2.399 50 0 HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007775095 569308462 /nfs/dbraw/zinc/30/84/62/569308462.db2.gz YEICKHKVMCESES-UHFFFAOYSA-N 0 1 402.501 2.285 50 0 HEAAMN COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381083 569364894 /nfs/dbraw/zinc/36/48/94/569364894.db2.gz CPLYWWPWWQYOHJ-WEARSGHPSA-N 0 1 415.877 2.494 50 0 HEAAMN O[C@@H](CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@@H]1CCCO1 ZINC000079076623 569427107 /nfs/dbraw/zinc/42/71/07/569427107.db2.gz TVAPYPRYQXODOA-HOTGVXAUSA-N 0 1 423.439 2.219 50 0 HEAAMN Nc1nncn1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000008710351 571105072 /nfs/dbraw/zinc/10/50/72/571105072.db2.gz SAZPRGXUEXMPSG-UHFFFAOYSA-N 0 1 422.264 2.112 50 0 HEAAMN CSc1cccc(N2C[C@H](C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086625 571157075 /nfs/dbraw/zinc/15/70/75/571157075.db2.gz USNCGMBRXBULGC-IXDOHACOSA-N 0 1 405.564 2.377 50 0 HEAAMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1nc(-c2ccccn2)cs1 ZINC000040145027 571195006 /nfs/dbraw/zinc/19/50/06/571195006.db2.gz NWMRKPIIAQZIPT-UHFFFAOYSA-N 0 1 405.439 2.415 50 0 HEAAMN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375888 571252774 /nfs/dbraw/zinc/25/27/74/571252774.db2.gz UXJURBLTFIKWAG-KRWDZBQOSA-N 0 1 419.474 2.371 50 0 HEAAMN COc1ccccc1-c1cc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n[nH]1 ZINC000077148793 571311854 /nfs/dbraw/zinc/31/18/54/571311854.db2.gz USHDEPBMJLEMKS-UHFFFAOYSA-N 0 1 422.489 2.335 50 0 HEAAMN CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C(C)C)CC1)CCO2 ZINC000581786336 1078766110 /nfs/dbraw/zinc/76/61/10/1078766110.db2.gz SLCRHYMPNWWSKL-IBGZPJMESA-N 0 1 408.587 2.308 50 0 HEAAMN CCNC(=O)N1CCOc2ccc(CCC(=O)N3CCN(CC(C)C)CC3)cc2C1 ZINC000581799884 1078769959 /nfs/dbraw/zinc/76/99/59/1078769959.db2.gz GGVVHUHRTRSWBR-UHFFFAOYSA-N 0 1 416.566 2.343 50 0 HEAAMN COc1cc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc43)C2)cc(OC)c1OC ZINC000009059536 132335261 /nfs/dbraw/zinc/33/52/61/132335261.db2.gz YWYYJMNHNIDISA-GFCCVEGCSA-N 0 1 412.450 2.234 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000009620713 132341787 /nfs/dbraw/zinc/34/17/87/132341787.db2.gz JZZPFCNJOSXXKW-UHFFFAOYSA-N 0 1 401.898 2.237 50 0 HEAAMN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCN(c2ccccn2)CC1 ZINC000011771340 132350337 /nfs/dbraw/zinc/35/03/37/132350337.db2.gz OEFKXNFRXARCSI-XMMPIXPASA-N 0 1 408.546 2.190 50 0 HEAAMN COCc1ccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)o1 ZINC000012436176 132359925 /nfs/dbraw/zinc/35/99/25/132359925.db2.gz YVEDHVGDWFJARY-FGZHOGPDSA-N 0 1 403.498 2.323 50 0 HEAAMN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012792352 132449162 /nfs/dbraw/zinc/44/91/62/132449162.db2.gz MTOCTDRLAPOAPL-AWEZNQCLSA-N 0 1 401.898 2.244 50 0 HEAAMN CCCC1N=NC(=S)N1CC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000032830680 521568182 /nfs/dbraw/zinc/56/81/82/521568182.db2.gz INQYBQIKAORRJZ-HZPDHXFCSA-N 0 1 417.579 2.445 50 0 HEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000032124080 523909981 /nfs/dbraw/zinc/90/99/81/523909981.db2.gz SBNUYFPHGYZBSJ-AZUAARDMSA-N 0 1 405.458 2.246 50 0 biogenic HEAAMN CN1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2O)CC1 ZINC000020599639 523918091 /nfs/dbraw/zinc/91/80/91/523918091.db2.gz BTVLAHBXWPVWNJ-HZPDHXFCSA-N 0 1 405.848 2.182 50 0 HEAAMN CSCCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020599573 525370640 /nfs/dbraw/zinc/37/06/40/525370640.db2.gz VXTZJFQAHXUERN-SFHVURJKSA-N 0 1 405.564 2.277 50 0 HEAAMN Cc1cccn2c(CN(C)C[C@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12 ZINC000020535723 525464871 /nfs/dbraw/zinc/46/48/71/525464871.db2.gz BZFMGSJOYUBNKT-FQEVSTJZSA-N 0 1 408.502 2.281 50 0 HEAAMN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1 ZINC000032833751 527319775 /nfs/dbraw/zinc/31/97/75/527319775.db2.gz PCUOXFXTCOYEQZ-UHFFFAOYSA-N 0 1 419.484 2.109 50 0 HEAAMN CN1CCN(c2nc3nnnn3c3sc4c(c32)CCN(Cc2ccccc2)C4)CC1 ZINC000002330068 536425509 /nfs/dbraw/zinc/42/55/09/536425509.db2.gz PIXOHQKBZAHKAO-UHFFFAOYSA-N 0 1 420.546 2.044 50 0 HEAAMN O=C(NCCN1CCCCC1)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O ZINC000034810893 557464042 /nfs/dbraw/zinc/46/40/42/557464042.db2.gz FCCBDNCQKPTOQT-UHFFFAOYSA-N 0 1 415.925 2.408 50 0 HEAAMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc([C@H]3CNC(=O)C3)cc1)OCO2 ZINC000004727365 557587484 /nfs/dbraw/zinc/58/74/84/557587484.db2.gz IVCVYOUFDSPGHI-CYBMUJFWSA-N 0 1 402.428 2.022 50 0 HEAAMN CN(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1 ZINC000022682536 557766825 /nfs/dbraw/zinc/76/68/25/557766825.db2.gz KNMYVSLGRAAVRE-INIZCTEOSA-N 0 1 413.540 2.012 50 0 HEAAMN C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1)c1ccccc1 ZINC000022778680 557821340 /nfs/dbraw/zinc/82/13/40/557821340.db2.gz YXXZAANTXFBFKZ-UTKZUKDTSA-N 0 1 412.509 2.108 50 0 HEAAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022796092 557822861 /nfs/dbraw/zinc/82/28/61/557822861.db2.gz NJPJMZQJTUEDBM-OAQYLSRUSA-N 0 1 412.509 2.432 50 0 HEAAMN COc1cc(CNCc2ccc3c(c2)OCO3)cc(Br)c1OCC(N)=O ZINC000009446835 557843355 /nfs/dbraw/zinc/84/33/55/557843355.db2.gz GYILJIMELGVMFX-UHFFFAOYSA-N 0 1 423.263 2.340 50 0 HEAAMN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1OC)CC2 ZINC000011880158 558294801 /nfs/dbraw/zinc/29/48/01/558294801.db2.gz ZQZIHHGEYMPDHS-GOSISDBHSA-N 0 1 415.538 2.195 50 0 HEAAMN O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cccc(F)c1)CC2 ZINC000012035560 558311929 /nfs/dbraw/zinc/31/19/29/558311929.db2.gz IGSRBSHVGCYBRQ-UHFFFAOYSA-N 0 1 423.492 2.213 50 0 HEAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCN(CC)CC1 ZINC000020028750 558323163 /nfs/dbraw/zinc/32/31/63/558323163.db2.gz SVCICTNIEJTBNL-AWEZNQCLSA-N 0 1 402.495 2.318 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000020654227 558397895 /nfs/dbraw/zinc/39/78/95/558397895.db2.gz YDPLDERQMDGTAR-SFHVURJKSA-N 0 1 406.914 2.149 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000020716874 558401587 /nfs/dbraw/zinc/40/15/87/558401587.db2.gz HSKBABXSBWVVDI-BEFAXECRSA-N 0 1 402.472 2.344 50 0 HEAAMN Cc1nc(C)c(CN2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431751 558406135 /nfs/dbraw/zinc/40/61/35/558406135.db2.gz DPISDVKUWOCFRX-KRWDZBQOSA-N 0 1 406.494 2.228 50 0 HEAAMN CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCCN2C)n1CCc1ccccc1 ZINC000020784305 558413479 /nfs/dbraw/zinc/41/34/79/558413479.db2.gz QLGGTUSEOCKGRS-LJQANCHMSA-N 0 1 404.580 2.445 50 0 HEAAMN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020999895 558428216 /nfs/dbraw/zinc/42/82/16/558428216.db2.gz FNRGOXVFBOCRON-QGZVFWFLSA-N 0 1 409.490 2.494 50 0 HEAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C[C@@H]2CCCO2)cc1 ZINC000021534819 558440914 /nfs/dbraw/zinc/44/09/14/558440914.db2.gz JWGOWXHGSSSJRH-NRFANRHFSA-N 0 1 417.550 2.309 50 0 HEAAMN CC(C)S(=O)(=O)c1ncc(CN2CC[C@H](N(C)C)C2)n1CCc1ccccc1 ZINC000022913312 558520255 /nfs/dbraw/zinc/52/02/55/558520255.db2.gz VFKAGZOYKYQYEY-IBGZPJMESA-N 0 1 404.580 2.444 50 0 HEAAMN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010895690 558547843 /nfs/dbraw/zinc/54/78/43/558547843.db2.gz XAQYEGKCSDBVPA-UHFFFAOYSA-N 0 1 415.475 2.137 50 0 HEAAMN O=C(NCCC[NH+]1CCOCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000023743288 558573397 /nfs/dbraw/zinc/57/33/97/558573397.db2.gz NOYGOVMZRGXCPG-UHFFFAOYSA-N 0 1 409.533 2.001 50 0 HEAAMN CCOC(=O)C1=C(CN(CC)CC)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960832 558608770 /nfs/dbraw/zinc/60/87/70/558608770.db2.gz WXWKSULAGSVHDH-IBGZPJMESA-N 0 1 405.495 2.355 50 0 HEAAMN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329116 558638213 /nfs/dbraw/zinc/63/82/13/558638213.db2.gz JNGPFHZANKXHDS-DOTOQJQBSA-N 0 1 415.515 2.291 50 0 HEAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000014254364 558650982 /nfs/dbraw/zinc/65/09/82/558650982.db2.gz NXGKBVXLNNNIOJ-AWEZNQCLSA-N 0 1 419.503 2.091 50 0 HEAAMN Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1 ZINC000014741078 558666838 /nfs/dbraw/zinc/66/68/38/558666838.db2.gz YCIDCYNCRNMWRO-HSQYWUDLSA-N 0 1 420.488 2.416 50 0 HEAAMN Cc1cccc(N2CCN(C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)n1 ZINC000014980849 558691373 /nfs/dbraw/zinc/69/13/73/558691373.db2.gz LOAUYXLMVPSBLQ-DEOSSOPVSA-N 0 1 408.546 2.108 50 0 HEAAMN COCc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n[nH]1 ZINC000015063786 558706545 /nfs/dbraw/zinc/70/65/45/558706545.db2.gz ALXALVPZTXPWPT-INIZCTEOSA-N 0 1 402.470 2.135 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022148 558767794 /nfs/dbraw/zinc/76/77/94/558767794.db2.gz MURBGNLIIHCKGI-QOIOWGMHSA-N 0 1 405.495 2.099 50 0 HEAAMN C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022219 558768179 /nfs/dbraw/zinc/76/81/79/558768179.db2.gz SXVOGORCJGPMFL-NKALOTHLSA-N 0 1 409.873 2.323 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000016025135 558768847 /nfs/dbraw/zinc/76/88/47/558768847.db2.gz LRBIMRVFMWSMMB-UOKDPKOQSA-N 0 1 419.481 2.154 50 0 HEAAMN CCOC[C@@H](O)CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000039447152 558821496 /nfs/dbraw/zinc/82/14/96/558821496.db2.gz VHONDFGTBUWILR-FQEVSTJZSA-N 0 1 413.518 2.252 50 0 HEAAMN Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1C(N)=O ZINC000058438447 558927120 /nfs/dbraw/zinc/92/71/20/558927120.db2.gz KPGAMFQFQOVMJY-UHFFFAOYSA-N 0 1 419.507 2.333 50 0 HEAAMN CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)n[nH]2)cc1 ZINC000021806153 558951992 /nfs/dbraw/zinc/95/19/92/558951992.db2.gz ZXVSHHXLIATQRL-UHFFFAOYSA-N 0 1 416.459 2.384 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(N2CCCCC2)n1 ZINC000065362613 558973367 /nfs/dbraw/zinc/97/33/67/558973367.db2.gz PQLGUQLLEQVVIK-UHFFFAOYSA-N 0 1 401.536 2.286 50 0 HEAAMN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000067675112 558991258 /nfs/dbraw/zinc/99/12/58/558991258.db2.gz DXFCOGUQEGYHHW-INIZCTEOSA-N 0 1 419.957 2.234 50 0 HEAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCC(CO)CC2)[C@H](c2cccnc2)[N@H+]1C ZINC000067805987 558993221 /nfs/dbraw/zinc/99/32/21/558993221.db2.gz SASFEOLZPQLKBU-IPJJNNNSSA-N 0 1 403.523 2.175 50 0 HEAAMN CCc1[nH]nc2c1CN(C(=O)[C@@H]1[C@@H]3C=C[C@@]4(CN(CC(CC)CC)C(=O)[C@@H]14)O3)CC2 ZINC000077287855 559000497 /nfs/dbraw/zinc/00/04/97/559000497.db2.gz NLBCMDLQHOILEY-VAWZGJIGSA-N 0 1 412.534 2.075 50 0 HEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)C1CCCCC1)CC2 ZINC000095521209 559085361 /nfs/dbraw/zinc/08/53/61/559085361.db2.gz REDOMCZYYSXRGH-INIZCTEOSA-N 0 1 402.539 2.475 50 0 HEAAMN COc1ccccc1CNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000084460321 559150795 /nfs/dbraw/zinc/15/07/95/559150795.db2.gz COFHDYXNRIXPGR-NRFANRHFSA-N 0 1 407.514 2.265 50 0 HEAAMN CCOc1ccc(C(=O)Nc2c(N)nc(S[C@@H](CC)C(=O)OC)[nH]c2=O)cc1 ZINC000005082068 559242741 /nfs/dbraw/zinc/24/27/41/559242741.db2.gz BIVQOFSBUYBGPA-LBPRGKRZSA-N 0 1 406.464 2.047 50 0 HEAAMN COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)c1O ZINC000005151542 559253946 /nfs/dbraw/zinc/25/39/46/559253946.db2.gz OQUDABPRUWFYOW-UHFFFAOYSA-N 0 1 411.805 2.242 50 0 HEAAMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153576 559254313 /nfs/dbraw/zinc/25/43/13/559254313.db2.gz GGYDLUURGYHEMQ-UHFFFAOYSA-N 0 1 400.456 2.499 50 0 HEAAMN O=C(CNC(=O)c1ccc(Br)cc1)NCCN1CCc2ccccc2C1 ZINC000046575593 559258485 /nfs/dbraw/zinc/25/84/85/559258485.db2.gz IATWHGWXPGPQMM-UHFFFAOYSA-N 0 1 416.319 2.353 50 0 HEAAMN COc1ccccc1NS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904795 559266341 /nfs/dbraw/zinc/26/63/41/559266341.db2.gz ALESFPBEZHMHLV-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000005347325 560570696 /nfs/dbraw/zinc/57/06/96/560570696.db2.gz PKIAUCRJEVBZGX-UHFFFAOYSA-N 0 1 423.546 2.453 50 0 HEAAMN COc1cc(CNC(C)=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 ZINC000005624596 560633529 /nfs/dbraw/zinc/63/35/29/560633529.db2.gz QENZXGXVBNFVCR-RGEXLXHISA-N 0 1 409.442 2.346 50 0 HEAAMN Cc1ccccc1NS(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808737 568442450 /nfs/dbraw/zinc/44/24/50/568442450.db2.gz KOUUMGWFMNTASW-UHFFFAOYSA-N 0 1 401.448 2.410 50 0 HEAAMN COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604418821 568492929 /nfs/dbraw/zinc/49/29/29/568492929.db2.gz HZBOQLKHESKWIP-QGZVFWFLSA-N 0 1 413.478 2.301 50 0 HEAAMN COc1cnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)nc1 ZINC000095440786 568610650 /nfs/dbraw/zinc/61/06/50/568610650.db2.gz HLGHSMDBGLZLIE-LBPRGKRZSA-N 0 1 417.274 2.418 50 0 HEAAMN CC(C)C(=O)Nc1nc(CC(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000095453034 568615681 /nfs/dbraw/zinc/61/56/81/568615681.db2.gz PZQVOLLMLMHUMJ-NSHDSACASA-N 0 1 400.501 2.241 50 0 HEAAMN COc1ccc(CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)n[nH]2)cc1OC ZINC000095473601 568628965 /nfs/dbraw/zinc/62/89/65/568628965.db2.gz DZIWECAVNKASDC-OAHLLOKOSA-N 0 1 415.494 2.050 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)n2)cc1OC ZINC000095473601 568628967 /nfs/dbraw/zinc/62/89/67/568628967.db2.gz DZIWECAVNKASDC-OAHLLOKOSA-N 0 1 415.494 2.050 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)Nc2ccc(F)cc21 ZINC000095478461 568631638 /nfs/dbraw/zinc/63/16/38/568631638.db2.gz ZSSKHBRDVTVDBG-LJQANCHMSA-N 0 1 404.365 2.216 50 0 HEAAMN C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000095941568 568662025 /nfs/dbraw/zinc/66/20/25/568662025.db2.gz DHQBWJMARHUWLX-AWEZNQCLSA-N 0 1 420.355 2.454 50 0 HEAAMN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096115929 568695507 /nfs/dbraw/zinc/69/55/07/568695507.db2.gz FSSOUCRKPHWKKV-LBPRGKRZSA-N 0 1 404.806 2.463 50 0 biogenic HEAAMN COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)c(OC)c1 ZINC000096324813 568734675 /nfs/dbraw/zinc/73/46/75/568734675.db2.gz MLKMOGBCLGMXTE-UHFFFAOYSA-N 0 1 421.457 2.087 50 0 HEAAMN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C ZINC000021698335 568741214 /nfs/dbraw/zinc/74/12/14/568741214.db2.gz OFZRTDTUKKZZLR-FQEVSTJZSA-N 0 1 408.502 2.222 50 0 HEAAMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022579376 568770444 /nfs/dbraw/zinc/77/04/44/568770444.db2.gz NGIMGZOCQBBSQU-NRFANRHFSA-N 0 1 403.548 2.271 50 0 HEAAMN COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O ZINC000002966859 568831033 /nfs/dbraw/zinc/83/10/33/568831033.db2.gz QSGQTNIEWBFHLB-MRXNPFEDSA-N 0 1 408.483 2.460 50 0 HEAAMN N=C1Nc2nc3cc4c(cc3n2[C@H](c2cc3ccccc3[nH]c2=O)N1)OCCCO4 ZINC000012552477 568854372 /nfs/dbraw/zinc/85/43/72/568854372.db2.gz MDSBCFYNHNUERI-GOSISDBHSA-N 0 1 402.414 2.135 50 0 HEAAMN CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000012613804 568871910 /nfs/dbraw/zinc/87/19/10/568871910.db2.gz BIQHLDYPEXLCBQ-UHFFFAOYSA-N 0 1 409.534 2.499 50 0 HEAAMN CCn1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299755282 568872732 /nfs/dbraw/zinc/87/27/32/568872732.db2.gz FQFWXVAQIRZDSK-NRFANRHFSA-N 0 1 416.497 2.313 50 0 HEAAMN Cc1nc2ccc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)cc2o1 ZINC000670445973 568909374 /nfs/dbraw/zinc/90/93/74/568909374.db2.gz WMTLCGKCZJWBFR-IGSLEHJCSA-N 0 1 402.498 2.434 50 0 HEAAMN COc1ccc2nc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000004273790 568957806 /nfs/dbraw/zinc/95/78/06/568957806.db2.gz ROIOIICOVDULGA-CYBMUJFWSA-N 0 1 411.549 2.335 50 0 HEAAMN CC[C@H](C)N(C(=O)CSc1nc2ccc(OC)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000004273868 568957897 /nfs/dbraw/zinc/95/78/97/568957897.db2.gz VRMIWIQZSKOJOT-STQMWFEESA-N 0 1 411.549 2.478 50 0 HEAAMN C[C@@H](CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000015864253 569016447 /nfs/dbraw/zinc/01/64/47/569016447.db2.gz HYGTZSIXNLWEEI-KRWDZBQOSA-N 0 1 419.522 2.052 50 0 HEAAMN Nc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccco1 ZINC000006309649 569039155 /nfs/dbraw/zinc/03/91/55/569039155.db2.gz UAUHDIRBZHZIHV-UHFFFAOYSA-N 0 1 400.416 2.033 50 0 HEAAMN CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccc(C)cc3)NC(=O)N2)C1 ZINC000226264232 569039896 /nfs/dbraw/zinc/03/98/96/569039896.db2.gz UILJAMLNYWBFCL-QFBILLFUSA-N 0 1 415.490 2.051 50 0 HEAAMN COc1ccc([C@H](CNC(=O)CSc2nnnn2C2CC2)N2CCCCC2)cc1 ZINC000013021570 569051197 /nfs/dbraw/zinc/05/11/97/569051197.db2.gz FAQXUJIQRKWHMB-SFHVURJKSA-N 0 1 416.551 2.452 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000035828121 569061601 /nfs/dbraw/zinc/06/16/01/569061601.db2.gz NEMLDXOKRDIZGR-WMZHIEFXSA-N 0 1 404.470 2.468 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000035828121 569061603 /nfs/dbraw/zinc/06/16/03/569061603.db2.gz NEMLDXOKRDIZGR-WMZHIEFXSA-N 0 1 404.470 2.468 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991671 569074700 /nfs/dbraw/zinc/07/47/00/569074700.db2.gz GMSLMMAZBMXEGZ-HXUWFJFHSA-N 0 1 400.523 2.146 50 0 HEAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c1 ZINC000006733207 569103727 /nfs/dbraw/zinc/10/37/27/569103727.db2.gz UNGVOHDAEJZVEG-UHFFFAOYSA-N 0 1 415.427 2.498 50 0 HEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(OC)cc4)n3)c(C)n2)CC1 ZINC000036235712 569115401 /nfs/dbraw/zinc/11/54/01/569115401.db2.gz JDAXNESOZMPMAO-UHFFFAOYSA-N 0 1 421.505 2.429 50 0 HEAAMN COc1ccc(OC)c(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)c1 ZINC000064969767 569138657 /nfs/dbraw/zinc/13/86/57/569138657.db2.gz IATOQIGKEKDQJU-UHFFFAOYSA-N 0 1 420.466 2.073 50 0 HEAAMN C[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000006914256 569179969 /nfs/dbraw/zinc/17/99/69/569179969.db2.gz PANMHLLJBFGLAT-CYBMUJFWSA-N 0 1 415.471 2.470 50 0 HEAAMN CN1CCCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000065251155 569206543 /nfs/dbraw/zinc/20/65/43/569206543.db2.gz VEAMQIHTDPDKON-UHFFFAOYSA-N 0 1 409.494 2.393 50 0 HEAAMN CSCC[C@@H](C(=O)Nc1nc(C(C)C)n[nH]1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733454 569213101 /nfs/dbraw/zinc/21/31/01/569213101.db2.gz LCMZLYIRVMKZAX-ZDUSSCGKSA-N 0 1 402.480 2.277 50 0 HEAAMN CSCC[C@@H](C(=O)Nc1n[nH]c(C(C)C)n1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733454 569213102 /nfs/dbraw/zinc/21/31/02/569213102.db2.gz LCMZLYIRVMKZAX-ZDUSSCGKSA-N 0 1 402.480 2.277 50 0 HEAAMN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1ccccn1 ZINC000065318887 569221897 /nfs/dbraw/zinc/22/18/97/569221897.db2.gz APDKXXQEQBRGHO-UHFFFAOYSA-N 0 1 413.459 2.477 50 0 HEAAMN O=S(=O)(NCCn1nc(-c2cnccn2)cc1C1CC1)c1c(F)cccc1F ZINC000238821336 569225340 /nfs/dbraw/zinc/22/53/40/569225340.db2.gz CSFKHXFQQFWRHB-UHFFFAOYSA-N 0 1 405.430 2.474 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000017012199 569271342 /nfs/dbraw/zinc/27/13/42/569271342.db2.gz KCPGWPXZSGWYTR-UHFFFAOYSA-N 0 1 419.888 2.377 50 0 HEAAMN C[C@@H](NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887303 569325275 /nfs/dbraw/zinc/32/52/75/569325275.db2.gz KYGDFRZXJUQQBF-GCJKJVERSA-N 0 1 413.562 2.313 50 0 HEAAMN CCCN1CCN(C(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)CC1 ZINC000011841836 569357000 /nfs/dbraw/zinc/35/70/00/569357000.db2.gz NCNICGXDQXPCPI-QFIPXVFZSA-N 0 1 405.514 2.360 50 0 HEAAMN Nc1ncnc2[nH]c(Sc3cc4c(cc3I)OCO4)nc21 ZINC000035968809 569357945 /nfs/dbraw/zinc/35/79/45/569357945.db2.gz BFOWGJNWQLLISB-UHFFFAOYSA-N 0 1 413.200 2.420 50 0 HEAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979059 569372973 /nfs/dbraw/zinc/37/29/73/569372973.db2.gz DAEUMICVFIDSQQ-IBGZPJMESA-N 0 1 401.463 2.462 50 0 HEAAMN CCOC(=O)C1C(CN2CCCC2)=NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286673 571065081 /nfs/dbraw/zinc/06/50/81/571065081.db2.gz NXIOEXSOHOZZLO-IBGZPJMESA-N 0 1 403.479 2.361 50 0 HEAAMN CS(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000040092327 571161472 /nfs/dbraw/zinc/16/14/72/571161472.db2.gz AMVZFLPUIJXYAG-INIZCTEOSA-N 0 1 413.971 2.092 50 0 HEAAMN COC(=O)N(C)CC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040120946 571176934 /nfs/dbraw/zinc/17/69/34/571176934.db2.gz ZALUUIITYXPWHM-UHFFFAOYSA-N 0 1 416.444 2.032 50 0 HEAAMN COc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000009329599 571248675 /nfs/dbraw/zinc/24/86/75/571248675.db2.gz HEIQAAVHMUZPEJ-FQEVSTJZSA-N 0 1 418.453 2.299 50 0 biogenic HEAAMN COC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)N1 ZINC000009530224 571266807 /nfs/dbraw/zinc/26/68/07/571266807.db2.gz LPPMZIJJXSMTMG-UHFFFAOYSA-N 0 1 405.457 2.315 50 0 HEAAMN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN1CCN(C)CC1 ZINC000022936541 571315400 /nfs/dbraw/zinc/31/54/00/571315400.db2.gz SPSOBYQJUQWCLI-UHFFFAOYSA-N 0 1 406.534 2.257 50 0 HEAAMN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000010940479 132346830 /nfs/dbraw/zinc/34/68/30/132346830.db2.gz ZCNPXDMFVCOIQU-UHFFFAOYSA-N 0 1 413.547 2.497 50 0 HEAAMN CCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045945004 520486875 /nfs/dbraw/zinc/48/68/75/520486875.db2.gz VODCPIGTYZMKTG-UHFFFAOYSA-N 0 1 409.596 2.498 50 0 HEAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000032124231 523899337 /nfs/dbraw/zinc/89/93/37/523899337.db2.gz WLRZVXYQBBVFJD-WMZOPIPTSA-N 0 1 418.519 2.370 50 0 biogenic HEAAMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@H](C)O1 ZINC000032830667 524617705 /nfs/dbraw/zinc/61/77/05/524617705.db2.gz RVNYSBFMEVJLKN-GJZGRUSLSA-N 0 1 412.515 2.295 50 0 HEAAMN C[C@@]1(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)NC(=O)NC1=O ZINC000032818934 525891774 /nfs/dbraw/zinc/89/17/74/525891774.db2.gz YGWCVASCMSAPSF-INIZCTEOSA-N 0 1 424.276 2.305 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1COc2ccccc2O1 ZINC000000622508 557019782 /nfs/dbraw/zinc/01/97/82/557019782.db2.gz OYKFOAVAWYJLKC-KRWDZBQOSA-N 0 1 412.427 2.056 50 0 HEAAMN COc1cc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1 ZINC000001155276 557213457 /nfs/dbraw/zinc/21/34/57/557213457.db2.gz XGZDEJIOKQFIOH-UHFFFAOYSA-N 0 1 406.552 2.206 50 0 HEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=N)Nc3nc(C)cc(C)n3)cc2)n1 ZINC000002291655 557334940 /nfs/dbraw/zinc/33/49/40/557334940.db2.gz QZCREBCDUZUPQB-UHFFFAOYSA-N 0 1 412.479 2.451 50 0 HEAAMN COc1ccc(OC)c(COC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000022918064 558260970 /nfs/dbraw/zinc/26/09/70/558260970.db2.gz CVFZWMCEVLGKNQ-NRFANRHFSA-N 0 1 400.519 2.399 50 0 HEAAMN C[C@@H]1CN(C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)C[C@H](C)O1 ZINC000019788659 558281908 /nfs/dbraw/zinc/28/19/08/558281908.db2.gz QKDIJGKVRFCYCE-OKILXGFUSA-N 0 1 401.515 2.445 50 0 HEAAMN Cc1nnc(SCCNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)[nH]1 ZINC000012076067 558319912 /nfs/dbraw/zinc/31/99/12/558319912.db2.gz JWXSJFFOXIZNCO-QGZVFWFLSA-N 0 1 401.536 2.193 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc4c(c2)OCCO4)C(=O)N3)cc1 ZINC000020729411 558405934 /nfs/dbraw/zinc/40/59/34/558405934.db2.gz OAQAPKNTSHTKDS-HNNXBMFYSA-N 0 1 421.413 2.247 50 0 HEAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N3)cc1 ZINC000020746065 558410943 /nfs/dbraw/zinc/41/09/43/558410943.db2.gz QWSGABYPABRJEG-MRXNPFEDSA-N 0 1 423.429 2.493 50 0 HEAAMN COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020993599 558426124 /nfs/dbraw/zinc/42/61/24/558426124.db2.gz UJRKOXRSRJGQKX-MRXNPFEDSA-N 0 1 415.538 2.495 50 0 HEAAMN Cc1cccc(Cc2nnc(CCC(=O)N3CCC[C@@H](CN4CCOCC4)C3)o2)c1 ZINC000020997536 558427136 /nfs/dbraw/zinc/42/71/36/558427136.db2.gz YYILVUWRQYWSTI-FQEVSTJZSA-N 0 1 412.534 2.472 50 0 HEAAMN COc1cccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1 ZINC000020999749 558428155 /nfs/dbraw/zinc/42/81/55/558428155.db2.gz WUUWUEXFRDGRGB-UHFFFAOYSA-N 0 1 421.501 2.040 50 0 HEAAMN CC(C)(C)c1n[nH]c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000022748664 558507258 /nfs/dbraw/zinc/50/72/58/558507258.db2.gz ORFQHNCMTUKXSG-ZDUSSCGKSA-N 0 1 400.570 2.153 50 0 HEAAMN CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000023240064 558544892 /nfs/dbraw/zinc/54/48/92/558544892.db2.gz HPYULEWSFNSJGW-SFTDATJTSA-N 0 1 419.566 2.313 50 0 HEAAMN COC(=O)C1C(CSc2nnc(N)s2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000004436496 558559590 /nfs/dbraw/zinc/55/95/90/558559590.db2.gz BMQIRFDLZWWHGU-ZDUSSCGKSA-N 0 1 405.505 2.310 50 0 HEAAMN COc1cccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)nc2)N2CCCC2)c1 ZINC000027342908 558671950 /nfs/dbraw/zinc/67/19/50/558671950.db2.gz STOBZEWSXXZLGV-OAQYLSRUSA-N 0 1 410.518 2.494 50 0 HEAAMN CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2nnc(CC)s2)n1 ZINC000027794746 558683076 /nfs/dbraw/zinc/68/30/76/558683076.db2.gz IOAYFHWVEAJNAO-UHFFFAOYSA-N 0 1 420.314 2.089 50 0 HEAAMN CCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1 ZINC000014967167 558686185 /nfs/dbraw/zinc/68/61/85/558686185.db2.gz JTAFZEAWMCUIIY-UHFFFAOYSA-N 0 1 423.517 2.473 50 0 HEAAMN COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1 ZINC000014998767 558697014 /nfs/dbraw/zinc/69/70/14/558697014.db2.gz KMDZNLWUHQACAB-HNNXBMFYSA-N 0 1 401.511 2.187 50 0 HEAAMN O=C(C=C1SC(=O)[N-]C1=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000015005243 558698776 /nfs/dbraw/zinc/69/87/76/558698776.db2.gz KMESKSYXDIOSLA-BQGMYUGNSA-N 0 1 415.515 2.183 50 0 HEAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c1 ZINC000028813793 558705013 /nfs/dbraw/zinc/70/50/13/558705013.db2.gz QIDOFBFFJMMDFZ-ZDUSSCGKSA-N 0 1 406.460 2.439 50 0 HEAAMN COc1ccccc1N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019731865 558777265 /nfs/dbraw/zinc/77/72/65/558777265.db2.gz HGZOPKBXLASADY-GOSISDBHSA-N 0 1 400.475 2.124 50 0 HEAAMN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccccc2OC)c1 ZINC000035421502 558791232 /nfs/dbraw/zinc/79/12/32/558791232.db2.gz WGTCDAPFKYMMQR-UHFFFAOYSA-N 0 1 411.502 2.168 50 0 HEAAMN O=C(c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1)N1CCCC1 ZINC000033033014 558857243 /nfs/dbraw/zinc/85/72/43/558857243.db2.gz YEGGLRNASGLBSG-UHFFFAOYSA-N 0 1 414.531 2.133 50 0 HEAAMN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1C ZINC000058264903 558915609 /nfs/dbraw/zinc/91/56/09/558915609.db2.gz KRZAHEGCFPHJBG-UHFFFAOYSA-N 0 1 410.430 2.256 50 0 HEAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000097940929 558945880 /nfs/dbraw/zinc/94/58/80/558945880.db2.gz LLXSMYCABLMIGR-UHFFFAOYSA-N 0 1 416.459 2.251 50 0 HEAAMN CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1 ZINC000021806165 558951925 /nfs/dbraw/zinc/95/19/25/558951925.db2.gz WNPUXAMVXJBFJR-UHFFFAOYSA-N 0 1 416.459 2.384 50 0 HEAAMN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1 ZINC000021806115 558951940 /nfs/dbraw/zinc/95/19/40/558951940.db2.gz WQZFYYZCNFLGDB-UHFFFAOYSA-N 0 1 416.459 2.302 50 0 HEAAMN CNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3OC)[nH]n2)ccc1OC ZINC000021806224 558951996 /nfs/dbraw/zinc/95/19/96/558951996.db2.gz UWSJPMGPRDUULZ-UHFFFAOYSA-N 0 1 416.459 2.254 50 0 HEAAMN COc1ccc(NC(=O)c2nnc(C(=O)NCCN3CCCCCC3)s2)cc1 ZINC000033060165 558954326 /nfs/dbraw/zinc/95/43/26/558954326.db2.gz WPHQZCRXTBNGBA-UHFFFAOYSA-N 0 1 403.508 2.405 50 0 HEAAMN Cc1ccc(C)c(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000064066897 558961787 /nfs/dbraw/zinc/96/17/87/558961787.db2.gz JWUDLSSPKDWBHW-YADHBBJMSA-N 0 1 404.518 2.464 50 0 HEAAMN CN(c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000065362679 558973471 /nfs/dbraw/zinc/97/34/71/558973471.db2.gz VTJQPLJADLPPGX-UHFFFAOYSA-N 0 1 402.520 2.087 50 0 HEAAMN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000067601851 558987528 /nfs/dbraw/zinc/98/75/28/558987528.db2.gz XNZSEXJSVBSZPX-UHFFFAOYSA-N 0 1 416.547 2.477 50 0 HEAAMN O=C(CSc1nnnn1-c1cccc(F)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000023078421 558999309 /nfs/dbraw/zinc/99/93/09/558999309.db2.gz QASJBMBZGJQBMB-KRWDZBQOSA-N 0 1 412.494 2.284 50 0 HEAAMN O=C([C@H]1[C@H]2C(=O)N(C3CCCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(N2CCCCC2)C1 ZINC000077485711 559006945 /nfs/dbraw/zinc/00/69/45/559006945.db2.gz PXXAQRGBGZHTIL-XARGGIHNSA-N 0 1 413.562 2.188 50 0 HEAAMN Cc1cc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4C)C[C@@]34C=C[C@@H]2O4)n[nH]1 ZINC000077553698 559009078 /nfs/dbraw/zinc/00/90/78/559009078.db2.gz BXGPSECAFDGJII-OZIGNCPNSA-N 0 1 410.449 2.111 50 0 HEAAMN COC(=O)c1cccc(CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)c1 ZINC000585148506 559059799 /nfs/dbraw/zinc/05/97/99/559059799.db2.gz OOUDOYPQGJHWGC-UHFFFAOYSA-N 0 1 413.396 2.264 50 0 HEAAMN CC1(C)C[C@@H](C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)CCO1 ZINC000095518067 559084779 /nfs/dbraw/zinc/08/47/79/559084779.db2.gz MQTIQQKGDUHHKX-INIZCTEOSA-N 0 1 400.523 2.227 50 0 HEAAMN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000023321649 559127049 /nfs/dbraw/zinc/12/70/49/559127049.db2.gz DXZRYBWLZKMRED-KRWDZBQOSA-N 0 1 408.506 2.422 50 0 HEAAMN COc1cccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)N(C)C)c1 ZINC000023548692 559176857 /nfs/dbraw/zinc/17/68/57/559176857.db2.gz FGQBGQOIHFZWDK-HXUWFJFHSA-N 0 1 419.547 2.415 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000005350949 560569015 /nfs/dbraw/zinc/56/90/15/560569015.db2.gz LRBIMRVFMWSMMB-HFXGWRGPSA-N 0 1 419.481 2.154 50 0 HEAAMN O=C(CNS(=O)(=O)c1c(F)cccc1F)OCC(=O)c1c[nH]c2ccccc12 ZINC000003379837 560595534 /nfs/dbraw/zinc/59/55/34/560595534.db2.gz YQQAUUNNDFBOES-UHFFFAOYSA-N 0 1 408.382 2.151 50 0 HEAAMN CCN1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701748 560798444 /nfs/dbraw/zinc/79/84/44/560798444.db2.gz OIGJBMPHGVHCCE-KRWDZBQOSA-N 0 1 402.926 2.159 50 0 HEAAMN CONC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 ZINC000045013768 560898490 /nfs/dbraw/zinc/89/84/90/560898490.db2.gz YQLBCCRUFBHDAE-UHFFFAOYSA-N 0 1 417.228 2.220 50 0 HEAAMN CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCN(CCO)CC2)c1=O ZINC000022697266 568415478 /nfs/dbraw/zinc/41/54/78/568415478.db2.gz KYTLAVDPTNLVTJ-NRFANRHFSA-N 0 1 417.575 2.303 50 0 HEAAMN CC(C)(C)c1n[nH]c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000012258539 568456465 /nfs/dbraw/zinc/45/64/65/568456465.db2.gz SXAYJODURFZCIU-AWEZNQCLSA-N 0 1 408.549 2.415 50 0 HEAAMN NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000024830186 568514354 /nfs/dbraw/zinc/51/43/54/568514354.db2.gz WCNORZVXJNNTHC-UHFFFAOYSA-N 0 1 405.295 2.038 50 0 HEAAMN CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000095428076 568608237 /nfs/dbraw/zinc/60/82/37/568608237.db2.gz YMRPBWYOVRGVMI-AWEZNQCLSA-N 0 1 413.312 2.473 50 0 HEAAMN CCN(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020985098 568655103 /nfs/dbraw/zinc/65/51/03/568655103.db2.gz UQULXHXYMKUUAB-UHFFFAOYSA-N 0 1 418.544 2.299 50 0 HEAAMN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccccn2c1=O ZINC000096115917 568695410 /nfs/dbraw/zinc/69/54/10/568695410.db2.gz OFXOCWMTLIZTLN-CYBMUJFWSA-N 0 1 414.414 2.121 50 0 biogenic HEAAMN COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3ncnc4[nH]cnc43)CC1)CC2 ZINC000096116407 568695885 /nfs/dbraw/zinc/69/58/85/568695885.db2.gz CMMQRPITNVJDFX-UHFFFAOYSA-N 0 1 422.489 2.171 50 0 biogenic HEAAMN O=C(c1ccccc1C(F)(F)F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000096121337 568699551 /nfs/dbraw/zinc/69/95/51/568699551.db2.gz LZZQVWPZJRORDE-UHFFFAOYSA-N 0 1 421.423 2.294 50 0 HEAAMN Cc1cn2c3c(nc2n1-c1ccc(C)cc1)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000005797392 568734422 /nfs/dbraw/zinc/73/44/22/568734422.db2.gz VNXMMINGGRNVNV-UHFFFAOYSA-N 0 1 420.517 2.241 50 0 HEAAMN O=C(c1cc(-c2ccncc2)[nH]n1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000096324857 568734638 /nfs/dbraw/zinc/73/46/38/568734638.db2.gz QQRUYFOQQJZJLY-UHFFFAOYSA-N 0 1 401.470 2.488 50 0 HEAAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 ZINC000022579214 568770487 /nfs/dbraw/zinc/77/04/87/568770487.db2.gz LMEZNFNMHCDXQG-JOCHJYFZSA-N 0 1 424.545 2.301 50 0 HEAAMN O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCN(CC2CC2)CC1 ZINC000055673916 568781835 /nfs/dbraw/zinc/78/18/35/568781835.db2.gz NQTLWJWSSSAQQO-OAHLLOKOSA-N 0 1 406.324 2.356 50 0 HEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000012580372 568864092 /nfs/dbraw/zinc/86/40/92/568864092.db2.gz NENBHCDKYAJCPI-YWVKMMECSA-N 0 1 410.860 2.010 50 0 HEAAMN COc1ccccc1COC[C@@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000058010150 568875363 /nfs/dbraw/zinc/87/53/63/568875363.db2.gz MSXKKNTULQHTCF-NRFANRHFSA-N 0 1 410.518 2.038 50 0 HEAAMN Cc1n[nH]c(C)c1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299792362 568876013 /nfs/dbraw/zinc/87/60/13/568876013.db2.gz DPWLFOGNVUHYPJ-HXUWFJFHSA-N 0 1 416.497 2.436 50 0 HEAAMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)c1C ZINC000084794478 568959937 /nfs/dbraw/zinc/95/99/37/568959937.db2.gz ALOARXPMLBUBAG-UHFFFAOYSA-N 0 1 414.505 2.154 50 0 HEAAMN NC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)cs1 ZINC000015731436 568981836 /nfs/dbraw/zinc/98/18/36/568981836.db2.gz NFGSMHXUELWTHU-UHFFFAOYSA-N 0 1 411.524 2.177 50 0 HEAAMN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCC3)n1C)CC2 ZINC000085876445 569009555 /nfs/dbraw/zinc/00/95/55/569009555.db2.gz FUKTULUWUXEASG-UHFFFAOYSA-N 0 1 413.518 2.262 50 0 biogenic HEAAMN CSCC[C@H]1N[C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015957340 569024596 /nfs/dbraw/zinc/02/45/96/569024596.db2.gz HGEBMVUMLBLGLT-QLDGJZPUSA-N 0 1 413.543 2.411 50 0 biogenic HEAAMN O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000022077476 569042509 /nfs/dbraw/zinc/04/25/09/569042509.db2.gz LZJPRBUYHCLOCZ-VQTJNVASSA-N 0 1 402.466 2.165 50 0 HEAAMN CCC(CC)[C@H](CNC(=O)CN1c2ccccc2OCCC1=O)N1CCOCC1 ZINC000012997811 569048387 /nfs/dbraw/zinc/04/83/87/569048387.db2.gz OMOSOCMDLDGFDY-IBGZPJMESA-N 0 1 403.523 2.055 50 0 HEAAMN O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCN2CCCC[C@H]2C1 ZINC000240278356 569054544 /nfs/dbraw/zinc/05/45/44/569054544.db2.gz DQPUICHZYFTAJX-DLBZAZTESA-N 0 1 406.324 2.499 50 0 HEAAMN COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)c1 ZINC000245226053 569055211 /nfs/dbraw/zinc/05/52/11/569055211.db2.gz GMNXXRIOIFEQEK-LVBDUCALSA-N 0 1 403.438 2.126 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@H]2C1 ZINC000245325696 569055885 /nfs/dbraw/zinc/05/58/85/569055885.db2.gz HJSFJQDWUUWQDX-GCJKJVERSA-N 0 1 424.888 2.286 50 0 HEAAMN C[C@H](C(=O)N(C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)n1cccn1 ZINC000054363443 569072421 /nfs/dbraw/zinc/07/24/21/569072421.db2.gz CCSXHRNVZOIYLH-MRXNPFEDSA-N 0 1 417.941 2.337 50 0 HEAAMN CCn1c2c(C(=O)NCC(C)C)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835962 569104632 /nfs/dbraw/zinc/10/46/32/569104632.db2.gz IDNOJSNXNQSMKF-UHFFFAOYSA-N 0 1 407.518 2.460 50 0 HEAAMN COCCN[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006784905 569121311 /nfs/dbraw/zinc/12/13/11/569121311.db2.gz DARZMPGCBXVPHO-ZDUSSCGKSA-N 0 1 403.932 2.078 50 0 HEAAMN Cc1cn(C)c(CC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c1C(=O)[O-] ZINC000064980567 569140919 /nfs/dbraw/zinc/14/09/19/569140919.db2.gz WLZPJRCMFHSQHA-UHFFFAOYSA-N 0 1 416.497 2.042 50 0 HEAAMN C[C@H]1CCCN(CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839841 569151154 /nfs/dbraw/zinc/15/11/54/569151154.db2.gz RIUQQNMSTBTXQE-HNNXBMFYSA-N 0 1 416.547 2.226 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c(OC)c1 ZINC000006887477 569170813 /nfs/dbraw/zinc/17/08/13/569170813.db2.gz XPXXLCCFKPYOPK-UHFFFAOYSA-N 0 1 415.427 2.498 50 0 HEAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000036593577 569204383 /nfs/dbraw/zinc/20/43/83/569204383.db2.gz MELGKIISZCKDQQ-AEFFLSMTSA-N 0 1 418.519 2.370 50 0 HEAAMN COc1ccc2c(ccn2CC(=O)NCCN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000524731392 569212337 /nfs/dbraw/zinc/21/23/37/569212337.db2.gz VREDRVMSHSWCDT-MJGOQNOKSA-N 0 1 420.513 2.047 50 0 HEAAMN COc1ccc2[nH]c(C(=O)NCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2c1 ZINC000524732239 569212621 /nfs/dbraw/zinc/21/26/21/569212621.db2.gz RXISVCJDZHHTNA-WBVHZDCISA-N 0 1 406.486 2.187 50 0 HEAAMN CSCC[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732775 569212818 /nfs/dbraw/zinc/21/28/18/569212818.db2.gz MXMWJODEWNLXIB-AWEZNQCLSA-N 0 1 414.491 2.421 50 0 HEAAMN CSCC[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732775 569212819 /nfs/dbraw/zinc/21/28/19/569212819.db2.gz MXMWJODEWNLXIB-AWEZNQCLSA-N 0 1 414.491 2.421 50 0 HEAAMN CCn1c2cc(C(=O)NCCN3CCc4ccccc4C3)ccc2n2nccc2c1=O ZINC000065270845 569213450 /nfs/dbraw/zinc/21/34/50/569213450.db2.gz BGWANISKWOJFLS-UHFFFAOYSA-N 0 1 415.497 2.457 50 0 HEAAMN Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccnc1 ZINC000065318801 569221813 /nfs/dbraw/zinc/22/18/13/569221813.db2.gz YCHOQDCUZVVQAJ-UHFFFAOYSA-N 0 1 413.459 2.477 50 0 HEAAMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H](N2CCCC2)[C@@H](O)C1 ZINC000252666839 569319132 /nfs/dbraw/zinc/31/91/32/569319132.db2.gz CMPITBUOJKWALO-YHYVQYDKSA-N 0 1 407.514 2.386 50 0 HEAAMN CC[C@H]1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 ZINC000008584032 571083108 /nfs/dbraw/zinc/08/31/08/571083108.db2.gz WPBYALHMNOIMKE-NSHDSACASA-N 0 1 405.480 2.081 50 0 HEAAMN CCn1c2ccccc2n(CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c1=O ZINC000008750478 571112147 /nfs/dbraw/zinc/11/21/47/571112147.db2.gz LKSSZBJLUGOCNR-UHFFFAOYSA-N 0 1 417.487 2.351 50 0 HEAAMN COCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2C1=O ZINC000040159736 571205764 /nfs/dbraw/zinc/20/57/64/571205764.db2.gz FRLDZBGZECYOEV-KRWDZBQOSA-N 0 1 415.515 2.413 50 0 HEAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000008995825 571208428 /nfs/dbraw/zinc/20/84/28/571208428.db2.gz QMLNGBPKBHKELV-BVOYOSPQSA-N 0 1 415.877 2.494 50 0 biogenic HEAAMN O=C(c1[nH]nc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009338203 571249483 /nfs/dbraw/zinc/24/94/83/571249483.db2.gz MRUILWGLTZZSBF-UHFFFAOYSA-N 0 1 402.451 2.239 50 0 HEAAMN O=C(NCCN1CCCCC1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009577143 571269944 /nfs/dbraw/zinc/26/99/44/571269944.db2.gz DHXRIQYETKUKIY-UHFFFAOYSA-N 0 1 422.529 2.200 50 0 HEAAMN O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009596738 571272402 /nfs/dbraw/zinc/27/24/02/571272402.db2.gz OGVKNHZZKZHAFO-UHFFFAOYSA-N 0 1 418.925 2.285 50 0 HEAAMN Cc1[nH]ncc1CNC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000581774341 1078748361 /nfs/dbraw/zinc/74/83/61/1078748361.db2.gz QPRDNYFSIMLCDW-HNNXBMFYSA-N 0 1 408.499 2.355 50 0 HEAAMN CN1CCN(c2ccccc2NC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)CC1 ZINC000006900196 132320107 /nfs/dbraw/zinc/32/01/07/132320107.db2.gz RCIWXGIKAFWPIP-UHFFFAOYSA-N 0 1 416.485 2.268 50 0 HEAAMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21 ZINC000007325426 132323841 /nfs/dbraw/zinc/32/38/41/132323841.db2.gz ZEXWWYQHFQCWIN-UHFFFAOYSA-N 0 1 414.531 2.148 50 0 HEAAMN CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000011937789 132352420 /nfs/dbraw/zinc/35/24/20/132352420.db2.gz KZBQXKZOZPZMCS-OAQYLSRUSA-N 0 1 400.567 2.182 50 0 HEAAMN CCCC1N=NC(=S)N1CC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032830671 521567634 /nfs/dbraw/zinc/56/76/34/521567634.db2.gz INQYBQIKAORRJZ-IYBDPMFKSA-N 0 1 417.579 2.445 50 0 HEAAMN COc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000032795855 524026855 /nfs/dbraw/zinc/02/68/55/524026855.db2.gz NHUZJSYMSCPVRM-FQEVSTJZSA-N 0 1 409.534 2.436 50 0 HEAAMN COc1ccc(OC)c(-c2cc(C(=O)Nc3nn(C)c4c3C[C@@H](C)C(=O)N4)[nH]n2)c1 ZINC000044213401 524791610 /nfs/dbraw/zinc/79/16/10/524791610.db2.gz IUZGMMZGOGVPQU-SNVBAGLBSA-N 0 1 410.434 2.210 50 0 HEAAMN Cc1ccccc1S(=O)(=O)N(CCCc1ccccc1)CC(=O)N1CCNCC1 ZINC000045974662 525327838 /nfs/dbraw/zinc/32/78/38/525327838.db2.gz UESJUWOKPOSTDE-UHFFFAOYSA-N 0 1 415.559 2.050 50 0 HEAAMN C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@@H]2C1 ZINC000009128732 536428222 /nfs/dbraw/zinc/42/82/22/536428222.db2.gz HJSFJQDWUUWQDX-PGRDOPGGSA-N 0 1 424.888 2.286 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1COc2ccccc2O1 ZINC000000622513 557019633 /nfs/dbraw/zinc/01/96/33/557019633.db2.gz OYKFOAVAWYJLKC-QGZVFWFLSA-N 0 1 412.427 2.056 50 0 HEAAMN CCOC(=O)C1C(CSc2nccn2C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000001425280 557261099 /nfs/dbraw/zinc/26/10/99/557261099.db2.gz VEPRTSSNPMELEB-MRXNPFEDSA-N 0 1 402.476 2.392 50 0 HEAAMN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004223219 557530156 /nfs/dbraw/zinc/53/01/56/557530156.db2.gz LQEXCCAZRABJNV-ZDUSSCGKSA-N 0 1 401.282 2.432 50 0 HEAAMN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 ZINC000022767164 557815087 /nfs/dbraw/zinc/81/50/87/557815087.db2.gz BJAFGWQLDKRVHW-KRWDZBQOSA-N 0 1 409.577 2.332 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CCN(C)CC2)cc1 ZINC000022778562 557821471 /nfs/dbraw/zinc/82/14/71/557821471.db2.gz SHZCUHHOCXMYKQ-JOCHJYFZSA-N 0 1 424.545 2.355 50 0 HEAAMN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(C)c2)N2CCN(C)CC2)cc1 ZINC000022795056 557822366 /nfs/dbraw/zinc/82/23/66/557822366.db2.gz UOZZMIUCBWJGOE-OAQYLSRUSA-N 0 1 421.538 2.410 50 0 HEAAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022796084 557822850 /nfs/dbraw/zinc/82/28/50/557822850.db2.gz NJPJMZQJTUEDBM-NRFANRHFSA-N 0 1 412.509 2.432 50 0 HEAAMN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)cc1 ZINC000022822076 557832932 /nfs/dbraw/zinc/83/29/32/557832932.db2.gz OLPJFDHUURHXPS-UHFFFAOYSA-N 0 1 423.517 2.347 50 0 HEAAMN CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n[nH]1 ZINC000011819866 558283064 /nfs/dbraw/zinc/28/30/64/558283064.db2.gz NZUIQMZZPMQVRN-OAQYLSRUSA-N 0 1 411.550 2.144 50 0 HEAAMN C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2 ZINC000011872318 558290449 /nfs/dbraw/zinc/29/04/49/558290449.db2.gz QMRLKRRPUAORKB-HNNXBMFYSA-N 0 1 401.486 2.079 50 0 HEAAMN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000011978325 558305878 /nfs/dbraw/zinc/30/58/78/558305878.db2.gz STJFWMUEKGFAJP-CQSZACIVSA-N 0 1 409.446 2.149 50 0 HEAAMN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283368 558353567 /nfs/dbraw/zinc/35/35/67/558353567.db2.gz AGWLPAJCRKBNEH-IBGZPJMESA-N 0 1 415.490 2.133 50 0 HEAAMN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283363 558353580 /nfs/dbraw/zinc/35/35/80/558353580.db2.gz AGWLPAJCRKBNEH-LJQANCHMSA-N 0 1 415.490 2.133 50 0 HEAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012300269 558370080 /nfs/dbraw/zinc/37/00/80/558370080.db2.gz WSFDREIIIJQZTO-UHFFFAOYSA-N 0 1 418.513 2.121 50 0 HEAAMN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNC[C@H]1COCCO1 ZINC000012446805 558414262 /nfs/dbraw/zinc/41/42/62/558414262.db2.gz GMTYWGSATNYVHW-KRWDZBQOSA-N 0 1 414.531 2.216 50 0 HEAAMN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020999896 558428257 /nfs/dbraw/zinc/42/82/57/558428257.db2.gz FNRGOXVFBOCRON-KRWDZBQOSA-N 0 1 409.490 2.494 50 0 HEAAMN COc1ccc(-c2nn(CN3CCN(C)CC3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000022037072 558459301 /nfs/dbraw/zinc/45/93/01/558459301.db2.gz NVDDDUBLQDIDPK-SFHVURJKSA-N 0 1 403.552 2.474 50 0 HEAAMN OCCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000022851359 558516792 /nfs/dbraw/zinc/51/67/92/558516792.db2.gz OBKOWGRKLCCTQM-UHFFFAOYSA-N 0 1 420.513 2.437 50 0 HEAAMN CCN(CC)CCN(C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC ZINC000022913363 558520265 /nfs/dbraw/zinc/52/02/65/558520265.db2.gz NJFDHKNFMOWEDA-UHFFFAOYSA-N 0 1 402.605 2.123 50 0 HEAAMN CCN1CCN(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)CC1 ZINC000022919795 558522597 /nfs/dbraw/zinc/52/25/97/558522597.db2.gz JGSIRIBRAQVNPR-GOSISDBHSA-N 0 1 403.477 2.282 50 0 HEAAMN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014733600 558666325 /nfs/dbraw/zinc/66/63/25/558666325.db2.gz GNIYXEPFMQNQIE-UHFFFAOYSA-N 0 1 423.517 2.312 50 0 HEAAMN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 ZINC000014740987 558666888 /nfs/dbraw/zinc/66/68/88/558666888.db2.gz UMMWKARCHJSZRU-UHFFFAOYSA-N 0 1 410.522 2.067 50 0 HEAAMN Cc1cc(N2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)n1 ZINC000028891251 558706725 /nfs/dbraw/zinc/70/67/25/558706725.db2.gz BYIBFAGEJOZFQQ-UHFFFAOYSA-N 0 1 410.522 2.158 50 0 HEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21c2ccccc2NC1=O ZINC000016024487 558768668 /nfs/dbraw/zinc/76/86/68/558768668.db2.gz HLDAZIGKCCKODR-JVTRTEKTSA-N 0 1 403.482 2.448 50 0 HEAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024872 558768854 /nfs/dbraw/zinc/76/88/54/558768854.db2.gz NTYZDXDWZHLFJP-PAXILDSZSA-N 0 1 403.482 2.286 50 0 HEAAMN Cc1ccc(S(=O)(=O)N2CCCN(C[C@H]3CN(CC(C)C)CCO3)CC2)cc1 ZINC000016427496 558790623 /nfs/dbraw/zinc/79/06/23/558790623.db2.gz IOSCWJMKROTXTO-FQEVSTJZSA-N 0 1 409.596 2.048 50 0 HEAAMN O=C(CNCCOc1ccccc1F)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000016695508 558801064 /nfs/dbraw/zinc/80/10/64/558801064.db2.gz YCQTVALKMACZIU-SFHVURJKSA-N 0 1 420.506 2.010 50 0 HEAAMN CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016972099 558810765 /nfs/dbraw/zinc/81/07/65/558810765.db2.gz NEOVVIVDFOKJHO-KKSFZXQISA-N 0 1 418.925 2.270 50 0 HEAAMN CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016972099 558810767 /nfs/dbraw/zinc/81/07/67/558810767.db2.gz NEOVVIVDFOKJHO-KKSFZXQISA-N 0 1 418.925 2.270 50 0 HEAAMN Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)N3CCN(C(C)C)CC3)c2=O)cc1 ZINC000097938371 558824738 /nfs/dbraw/zinc/82/47/38/558824738.db2.gz CDSTXAGKUOKPQP-UHFFFAOYSA-N 0 1 410.518 2.270 50 0 HEAAMN CCn1ccnc1CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228406 558852974 /nfs/dbraw/zinc/85/29/74/558852974.db2.gz HQUBHYKOONBLDT-HXUWFJFHSA-N 0 1 411.550 2.414 50 0 HEAAMN COc1cccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)c1 ZINC000033032431 558856836 /nfs/dbraw/zinc/85/68/36/558856836.db2.gz DBXFSOIXJPCEJK-UHFFFAOYSA-N 0 1 401.894 2.423 50 0 HEAAMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058158675 558903888 /nfs/dbraw/zinc/90/38/88/558903888.db2.gz LJTMJYSRAXZRKG-IAGOWNOFSA-N 0 1 417.550 2.351 50 0 HEAAMN COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000058306889 558918415 /nfs/dbraw/zinc/91/84/15/558918415.db2.gz BNNLIOFONAPYEK-ZDUSSCGKSA-N 0 1 421.357 2.189 50 0 HEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(N2CCCC2)n1 ZINC000064814547 558966083 /nfs/dbraw/zinc/96/60/83/558966083.db2.gz KQVKYJCJXIXZAP-UHFFFAOYSA-N 0 1 423.489 2.174 50 0 HEAAMN CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccn[nH]1)C2 ZINC000077303319 559001011 /nfs/dbraw/zinc/00/10/11/559001011.db2.gz ODHUBBCQVMIICW-UHFFFAOYSA-N 0 1 402.520 2.419 50 0 HEAAMN CN(Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C[C@H]1CCCCO1 ZINC000077489621 559007313 /nfs/dbraw/zinc/00/73/13/559007313.db2.gz IKVIGOAMNSLMJZ-QGZVFWFLSA-N 0 1 413.474 2.035 50 0 HEAAMN CC[C@@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(CCN1CCCCC1)c3=O ZINC000008704226 559064524 /nfs/dbraw/zinc/06/45/24/559064524.db2.gz SVOMYBQCZQAKKE-CQSZACIVSA-N 0 1 400.527 2.223 50 0 HEAAMN CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)CCc1scnc1C)CC2 ZINC000095503855 559082697 /nfs/dbraw/zinc/08/26/97/559082697.db2.gz ZSDDAQDPTVVIMF-UHFFFAOYSA-N 0 1 401.536 2.420 50 0 HEAAMN Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCCN1CCCC1 ZINC000005058499 559238759 /nfs/dbraw/zinc/23/87/59/559238759.db2.gz KFJXYAFIMZQKDN-UHFFFAOYSA-N 0 1 419.547 2.475 50 0 HEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000011858371 559263094 /nfs/dbraw/zinc/26/30/94/559263094.db2.gz KUGPAXJWZRNDQC-UHFFFAOYSA-N 0 1 424.500 2.179 50 0 HEAAMN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000011898734 559265503 /nfs/dbraw/zinc/26/55/03/559265503.db2.gz QHZFJTFJAWGROV-SFHVURJKSA-N 0 1 412.490 2.426 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345748 560569969 /nfs/dbraw/zinc/56/99/69/560569969.db2.gz RGQPXDXCEJXXTL-DLRJPAPCSA-N 0 1 419.909 2.143 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000005345816 560569990 /nfs/dbraw/zinc/56/99/90/560569990.db2.gz KYZBMKUVKDJACM-YUWJWYLASA-N 0 1 419.909 2.143 50 0 HEAAMN COc1cccc([C@@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1 ZINC000018180649 560781681 /nfs/dbraw/zinc/78/16/81/560781681.db2.gz XXTPRJUWHHTUAK-LJQANCHMSA-N 0 1 418.519 2.301 50 0 HEAAMN CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3C)c2O)=NN1 ZINC000101762933 560800860 /nfs/dbraw/zinc/80/08/60/560800860.db2.gz PWTHJFLENMOTIR-HNNXBMFYSA-N 0 1 406.442 2.377 50 0 HEAAMN COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=NN2)cc1 ZINC000101763078 560800872 /nfs/dbraw/zinc/80/08/72/560800872.db2.gz CMRXBLJGZMBCIN-OAHLLOKOSA-N 0 1 412.833 2.332 50 0 HEAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1)c1ccccc1 ZINC000049543992 568451226 /nfs/dbraw/zinc/45/12/26/568451226.db2.gz YLXBTJUVWFHKAD-LJQANCHMSA-N 0 1 419.485 2.009 50 0 HEAAMN CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000095428075 568608330 /nfs/dbraw/zinc/60/83/30/568608330.db2.gz YMRPBWYOVRGVMI-CQSZACIVSA-N 0 1 413.312 2.473 50 0 HEAAMN CC(C)C(=O)Nc1nc(CC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000095453033 568615691 /nfs/dbraw/zinc/61/56/91/568615691.db2.gz PZQVOLLMLMHUMJ-LLVKDONJSA-N 0 1 400.501 2.241 50 0 HEAAMN COc1ccc(CCc2nc(NC(=O)Cn3cnc4sccc4c3=O)n[nH]2)cc1 ZINC000095478150 568631564 /nfs/dbraw/zinc/63/15/64/568631564.db2.gz KXAHARRAETTWQN-UHFFFAOYSA-N 0 1 410.459 2.009 50 0 HEAAMN COc1ccc(CCc2n[nH]c(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 ZINC000095478150 568631565 /nfs/dbraw/zinc/63/15/65/568631565.db2.gz KXAHARRAETTWQN-UHFFFAOYSA-N 0 1 410.459 2.009 50 0 HEAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(C)C1=O ZINC000095479594 568632514 /nfs/dbraw/zinc/63/25/14/568632514.db2.gz MOMIYERVSNAHBN-FQEVSTJZSA-N 0 1 400.402 2.101 50 0 HEAAMN COc1ccc(-c2coc3cc(OCCN4CCN(CCO)CC4)ccc3c2=O)cc1 ZINC000020621913 568638315 /nfs/dbraw/zinc/63/83/15/568638315.db2.gz IESPVSPGTXANQQ-UHFFFAOYSA-N 0 1 424.497 2.457 50 0 biogenic HEAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000020763571 568642644 /nfs/dbraw/zinc/64/26/44/568642644.db2.gz OILDWJOAASVCNK-JLBUNGTFSA-N 0 1 414.462 2.383 50 0 biogenic HEAAMN Cc1ccc(C)c(OCC(=O)N2CCC[C@H](c3[nH]ncc3NS(C)(=O)=O)C2)c1 ZINC000095998655 568680092 /nfs/dbraw/zinc/68/00/92/568680092.db2.gz QJFRRRCNESIYFR-HNNXBMFYSA-N 0 1 406.508 2.183 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000096232064 568707734 /nfs/dbraw/zinc/70/77/34/568707734.db2.gz JMWWCDKFTJTNGL-INIZCTEOSA-N 0 1 410.478 2.377 50 0 HEAAMN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000096232064 568707735 /nfs/dbraw/zinc/70/77/35/568707735.db2.gz JMWWCDKFTJTNGL-INIZCTEOSA-N 0 1 410.478 2.377 50 0 HEAAMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2C)N2CCN(C)CC2)cc1 ZINC000022579359 568770527 /nfs/dbraw/zinc/77/05/27/568770527.db2.gz UPGVPXZNYMESBT-FQEVSTJZSA-N 0 1 421.538 2.410 50 0 HEAAMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582853 568770933 /nfs/dbraw/zinc/77/09/33/568770933.db2.gz OOJPWIUEDBXIRV-QFIPXVFZSA-N 0 1 424.545 2.437 50 0 HEAAMN COc1cccc(N2C[C@@H](C(=O)N3CCC(CCN4CCOCC4)CC3)CC2=O)c1 ZINC000058439892 568918875 /nfs/dbraw/zinc/91/88/75/568918875.db2.gz MYYVSJNMCLVPQI-IBGZPJMESA-N 0 1 415.534 2.009 50 0 HEAAMN O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000670454188 568929402 /nfs/dbraw/zinc/92/94/02/568929402.db2.gz ODWJIAZGTAPDON-LJQANCHMSA-N 0 1 420.510 2.287 50 0 HEAAMN CCOc1ccc(-n2c(O)c([C@H]3c4ccccc4CCN3C(C)=O)c(=O)[nH]c2=O)cc1 ZINC000003984822 568931206 /nfs/dbraw/zinc/93/12/06/568931206.db2.gz FDPXMPHMRKRXDQ-HXUWFJFHSA-N 0 1 421.453 2.124 50 0 biogenic HEAAMN CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(C)c3)c(C(N)=O)n2)c1O ZINC000004175964 568948604 /nfs/dbraw/zinc/94/86/04/568948604.db2.gz GLQIFUKRFSSYKX-UHFFFAOYSA-N 0 1 405.414 2.287 50 0 HEAAMN O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccc2c(c1)OCCO2 ZINC000004306511 568960566 /nfs/dbraw/zinc/96/05/66/568960566.db2.gz FPPHEDIGNGODDN-UHFFFAOYSA-N 0 1 405.457 2.300 50 0 HEAAMN COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000006153676 569015241 /nfs/dbraw/zinc/01/52/41/569015241.db2.gz HLIGXQLHCRBGRZ-UHFFFAOYSA-N 0 1 400.460 2.030 50 0 HEAAMN C[C@H](CN(CC(=O)N1CCNCC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000015864121 569016329 /nfs/dbraw/zinc/01/63/29/569016329.db2.gz FWRCQONHRVVCON-LJQANCHMSA-N 0 1 408.546 2.430 50 0 HEAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@@]12C(=O)Nc1ccccc12 ZINC000016026638 569026592 /nfs/dbraw/zinc/02/65/92/569026592.db2.gz QMLNGBPKBHKELV-MJEGUIRGSA-N 0 1 415.877 2.494 50 0 HEAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C)cc1 ZINC000006354795 569045184 /nfs/dbraw/zinc/04/51/84/569045184.db2.gz HOIDRQBRJAPDTM-UHFFFAOYSA-N 0 1 406.460 2.131 50 0 HEAAMN C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2[C@@H](C)O1 ZINC000247989875 569057616 /nfs/dbraw/zinc/05/76/16/569057616.db2.gz AAXHHKHQORLYBE-NSQWWGABSA-N 0 1 405.454 2.494 50 0 HEAAMN COc1cc(CNC(C)=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1 ZINC000006561951 569066083 /nfs/dbraw/zinc/06/60/83/569066083.db2.gz HBSGQLQSPOWYCV-AQTBWJFISA-N 0 1 401.463 2.479 50 0 HEAAMN CC(C)CN(C(=O)CSc1nc(-c2cccs2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000006561502 569066130 /nfs/dbraw/zinc/06/61/30/569066130.db2.gz YZRGWHCWAHGSBC-GFCCVEGCSA-N 0 1 414.578 2.297 50 0 HEAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000035991426 569074568 /nfs/dbraw/zinc/07/45/68/569074568.db2.gz JTWJSAAUKDOEGV-FQEVSTJZSA-N 0 1 400.523 2.228 50 0 HEAAMN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(N)(=O)=O ZINC000006623388 569075078 /nfs/dbraw/zinc/07/50/78/569075078.db2.gz QMZIOFAKXTVLCE-UHFFFAOYSA-N 0 1 411.288 2.450 50 0 HEAAMN COc1ccc(CNCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000006712081 569097219 /nfs/dbraw/zinc/09/72/19/569097219.db2.gz XGFOGZUESGTPRY-UHFFFAOYSA-N 0 1 411.911 2.327 50 0 HEAAMN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1CN1CCCCCC1 ZINC000006908096 569178744 /nfs/dbraw/zinc/17/87/44/569178744.db2.gz IHEFVTGXKWXUJN-UHFFFAOYSA-N 0 1 406.552 2.453 50 0 HEAAMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000006974117 569193019 /nfs/dbraw/zinc/19/30/19/569193019.db2.gz KBJKXUAMAHTVPO-UHFFFAOYSA-N 0 1 418.544 2.251 50 0 HEAAMN CC(C)N1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CCC4)cn3)cc2)CC1 ZINC000065213288 569197405 /nfs/dbraw/zinc/19/74/05/569197405.db2.gz REFFHYBUHBHZCL-UHFFFAOYSA-N 0 1 409.534 2.455 50 0 HEAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000036579981 569202902 /nfs/dbraw/zinc/20/29/02/569202902.db2.gz PFWFDYWHPFKBKC-UYAOXDASSA-N 0 1 405.458 2.246 50 0 HEAAMN CC(C)CN1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)CC1 ZINC000065239821 569203466 /nfs/dbraw/zinc/20/34/66/569203466.db2.gz KLTOGGGTRJDHPD-UHFFFAOYSA-N 0 1 411.554 2.312 50 0 HEAAMN CC(C)Cn1c(=O)c(C(=O)NCCN2CCc3ccccc3C2)nc2cccnc21 ZINC000065282924 569216359 /nfs/dbraw/zinc/21/63/59/569216359.db2.gz SDGSUIKKQPUQJL-UHFFFAOYSA-N 0 1 405.502 2.236 50 0 HEAAMN O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCN2CCCC[C@@H]2C1 ZINC000065499464 569232613 /nfs/dbraw/zinc/23/26/13/569232613.db2.gz DQPUICHZYFTAJX-IAGOWNOFSA-N 0 1 406.324 2.499 50 0 HEAAMN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1 ZINC000013692017 569257241 /nfs/dbraw/zinc/25/72/41/569257241.db2.gz IZNPEMUMMHMYOJ-UHFFFAOYSA-N 0 1 424.500 2.199 50 0 HEAAMN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520398 569260291 /nfs/dbraw/zinc/26/02/91/569260291.db2.gz ZZXVTAOFUCETEJ-HXUWFJFHSA-N 0 1 413.497 2.366 50 0 HEAAMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(F)c(F)cc1Br ZINC000089984899 569271026 /nfs/dbraw/zinc/27/10/26/569271026.db2.gz OLUSOGUEHRDWQM-UHFFFAOYSA-N 0 1 410.196 2.428 50 0 HEAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000017012735 569271613 /nfs/dbraw/zinc/27/16/13/569271613.db2.gz VDAIINBATIYHAN-UHFFFAOYSA-N 0 1 405.499 2.035 50 0 HEAAMN O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCN2CCCC[C@H]2C1 ZINC000252467431 569287133 /nfs/dbraw/zinc/28/71/33/569287133.db2.gz KNNBOSIAGUCNBE-GJZGRUSLSA-N 0 1 406.324 2.499 50 0 HEAAMN NC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253414644 569366952 /nfs/dbraw/zinc/36/69/52/569366952.db2.gz YBPKCGYAHPIERK-MRXNPFEDSA-N 0 1 400.431 2.037 50 0 biogenic HEAAMN Cc1sc2[nH]c(COC(=O)c3ccccc3NS(C)(=O)=O)nc(=O)c2c1C ZINC000008483296 571055042 /nfs/dbraw/zinc/05/50/42/571055042.db2.gz IWNVBYZJLBRTBH-UHFFFAOYSA-N 0 1 407.473 2.330 50 0 HEAAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009641544 571275877 /nfs/dbraw/zinc/27/58/77/571275877.db2.gz KSFQVMUJOYWMGG-JTQLQIEISA-N 0 1 421.479 2.378 50 0 HEAAMN COc1ccccc1CNC(=O)C(=O)NCCN1CCC(c2cccs2)CC1 ZINC000077104288 571311645 /nfs/dbraw/zinc/31/16/45/571311645.db2.gz XASCWIUAEHMIRV-UHFFFAOYSA-N 0 1 401.532 2.369 50 0 HEAAMN COc1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1OC ZINC000017012512 132464692 /nfs/dbraw/zinc/46/46/92/132464692.db2.gz JVKXOAGYQDYCNU-UHFFFAOYSA-N 0 1 411.506 2.365 50 0 HEAAMN COCCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966855 523239490 /nfs/dbraw/zinc/23/94/90/523239490.db2.gz BTJHUZFLRWNNDC-UHFFFAOYSA-N 0 1 401.429 2.006 50 0 HEAAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 ZINC000022766361 524268471 /nfs/dbraw/zinc/26/84/71/524268471.db2.gz CXJQJLUDIRIYMS-SFHVURJKSA-N 0 1 400.548 2.408 50 0 HEAAMN COc1ccc(S(=O)(=O)Nc2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000032124543 525077842 /nfs/dbraw/zinc/07/78/42/525077842.db2.gz NUTMBKAQXDYUDS-UHFFFAOYSA-N 0 1 406.460 2.221 50 0 biogenic HEAAMN C[C@]1(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)NC(=O)NC1=O ZINC000032818935 525318368 /nfs/dbraw/zinc/31/83/68/525318368.db2.gz YGWCVASCMSAPSF-MRXNPFEDSA-N 0 1 424.276 2.305 50 0 HEAAMN O=C(CC(F)(F)F)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600334 526322232 /nfs/dbraw/zinc/32/22/32/526322232.db2.gz OGAKWSOHRGMKEH-MRXNPFEDSA-N 0 1 413.440 2.476 50 0 HEAAMN O=C(CCN(CCc1ccccc1)C(=O)c1ccc(F)c(F)c1)N1CCNCC1 ZINC000045966662 526475830 /nfs/dbraw/zinc/47/58/30/526475830.db2.gz BDHGXOXYAPDTTF-UHFFFAOYSA-N 0 1 401.457 2.472 50 0 HEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677083 557364102 /nfs/dbraw/zinc/36/41/02/557364102.db2.gz QHLCSWHAUUJEIQ-LJQANCHMSA-N 0 1 400.523 2.273 50 0 HEAAMN COCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(C)CC2)c1=O ZINC000022697632 557784288 /nfs/dbraw/zinc/78/42/88/557784288.db2.gz CALDGEUJFQPAGP-HXUWFJFHSA-N 0 1 405.926 2.499 50 0 HEAAMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022794984 557822262 /nfs/dbraw/zinc/82/22/62/557822262.db2.gz CSLHDJKUBBKKPT-FQEVSTJZSA-N 0 1 407.511 2.101 50 0 HEAAMN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022794992 557822392 /nfs/dbraw/zinc/82/23/92/557822392.db2.gz CSLHDJKUBBKKPT-HXUWFJFHSA-N 0 1 407.511 2.101 50 0 HEAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022795390 557822556 /nfs/dbraw/zinc/82/25/56/557822556.db2.gz DVNDYLIAXASXDZ-NRFANRHFSA-N 0 1 410.518 2.047 50 0 HEAAMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C)N2CCN(C)CC2)cc1 ZINC000022795457 557822567 /nfs/dbraw/zinc/82/25/67/557822567.db2.gz RJBFDGCELYGYSW-OAQYLSRUSA-N 0 1 410.518 2.047 50 0 HEAAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000022796134 557823008 /nfs/dbraw/zinc/82/30/08/557823008.db2.gz WNYBUMOVALHFQG-HXUWFJFHSA-N 0 1 412.509 2.486 50 0 HEAAMN COc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1OC1CCN(C(C)=O)CC1 ZINC000019841342 558294249 /nfs/dbraw/zinc/29/42/49/558294249.db2.gz FJNVWNVWACVBLD-HXUWFJFHSA-N 0 1 417.550 2.497 50 0 HEAAMN CC(C)Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000011912162 558297167 /nfs/dbraw/zinc/29/71/67/558297167.db2.gz KIOHGCCKXZFHQL-SOLBZPMBSA-N 0 1 402.539 2.486 50 0 HEAAMN Cc1cccc2nc(CN(C)C(=O)C[C@H]3C(=O)NCCN3CCc3ccccc3)[nH]c21 ZINC000011936411 558300503 /nfs/dbraw/zinc/30/05/03/558300503.db2.gz ATOWHAVNMCJQSH-FQEVSTJZSA-N 0 1 419.529 2.263 50 0 HEAAMN CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000012154966 558339877 /nfs/dbraw/zinc/33/98/77/558339877.db2.gz NGGKGPYUWQDKNK-SFHVURJKSA-N 0 1 418.586 2.008 50 0 HEAAMN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(C3CCCC3)C2)nn1 ZINC000012164854 558342227 /nfs/dbraw/zinc/34/22/27/558342227.db2.gz OFJLBVUOVQPJKU-PBHICJAKSA-N 0 1 403.508 2.001 50 0 HEAAMN COc1cc(CNCc2ccc(F)cc2F)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020208670 558347164 /nfs/dbraw/zinc/34/71/64/558347164.db2.gz JTMNIXJMAGCICP-IBGZPJMESA-N 0 1 422.472 2.335 50 0 HEAAMN C[C@@H](c1ccon1)N(C)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000012301691 558371455 /nfs/dbraw/zinc/37/14/55/558371455.db2.gz FFMNVIYFPXMFGW-AWEZNQCLSA-N 0 1 402.524 2.355 50 0 HEAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517771 558383093 /nfs/dbraw/zinc/38/30/93/558383093.db2.gz KRMINIISJISQMD-DLRJPAPCSA-N 0 1 417.506 2.242 50 0 HEAAMN C[C@@H]1Cc2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc2N1S(C)(=O)=O ZINC000023133192 558537348 /nfs/dbraw/zinc/53/73/48/558537348.db2.gz AJAHPHLUQWPGFC-FZKQIMNGSA-N 0 1 407.561 2.491 50 0 HEAAMN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2 ZINC000014882731 558676619 /nfs/dbraw/zinc/67/66/19/558676619.db2.gz DWJFRBCABIMMMI-OAHLLOKOSA-N 0 1 403.552 2.272 50 0 HEAAMN COCCN1CCc2nc3sc(SCC(=O)c4ccccc4)nn3c(=O)c2C1 ZINC000015922221 558762205 /nfs/dbraw/zinc/76/22/05/558762205.db2.gz JTZFRBRQJWUMIJ-UHFFFAOYSA-N 0 1 416.528 2.131 50 0 HEAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21 ZINC000016024724 558768690 /nfs/dbraw/zinc/76/86/90/558768690.db2.gz ILADSGPWFWVNAD-VKDGWMQASA-N 0 1 419.481 2.155 50 0 HEAAMN CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2c1=O ZINC000004660951 558873527 /nfs/dbraw/zinc/87/35/27/558873527.db2.gz ICVRXPJWTAHDIJ-CQSZACIVSA-N 0 1 405.520 2.479 50 0 HEAAMN O=S(=O)(Nc1ccccc1OCc1cscn1)c1cccc(-n2cnnn2)c1 ZINC000058162153 558906157 /nfs/dbraw/zinc/90/61/57/558906157.db2.gz MTCXIUZMGCATAN-UHFFFAOYSA-N 0 1 414.472 2.499 50 0 HEAAMN CCOCCC[N@@H+](C)C1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000033254049 558922468 /nfs/dbraw/zinc/92/24/68/558922468.db2.gz MWJSQJLLQOTQPA-UHFFFAOYSA-N 0 1 413.540 2.084 50 0 HEAAMN COC(=O)c1sccc1NC(=O)C[C@@H](C[N@@H+](C)Cc1c(C)nn(C)c1C)C(=O)[O-] ZINC000072403301 558962164 /nfs/dbraw/zinc/96/21/64/558962164.db2.gz FHNVEXLLNBCOOK-ZDUSSCGKSA-N 0 1 422.507 2.046 50 0 HEAAMN Cc1nonc1CN1C(=O)c2cccc(N3CCN(Cc4ccccc4)CC3)c2C1=O ZINC000064103480 558962269 /nfs/dbraw/zinc/96/22/69/558962269.db2.gz GRAYXNOEOCOOSQ-UHFFFAOYSA-N 0 1 417.469 2.496 50 0 HEAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCOCC2)n1 ZINC000064800242 558966118 /nfs/dbraw/zinc/96/61/18/558966118.db2.gz KTEPNUGRAZGILZ-UHFFFAOYSA-N 0 1 414.485 2.423 50 0 HEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000065364519 558975625 /nfs/dbraw/zinc/97/56/25/558975625.db2.gz HODNBTYOIWFWFT-UHFFFAOYSA-N 0 1 400.458 2.115 50 0 HEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000065365138 558976181 /nfs/dbraw/zinc/97/61/81/558976181.db2.gz OURUWVSIDBMEGN-UHFFFAOYSA-N 0 1 415.563 2.427 50 0 HEAAMN CCc1[nH]nc2c1CN(C(=O)[C@H]1[C@H]3C(=O)N(CC(CC)CC)C[C@@]34C=C[C@@H]1O4)CC2 ZINC000077287853 559000564 /nfs/dbraw/zinc/00/05/64/559000564.db2.gz NLBCMDLQHOILEY-SRYPRDQNSA-N 0 1 412.534 2.075 50 0 HEAAMN Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(C)cc3)nc(C)n2)c1C ZINC000082230561 559042817 /nfs/dbraw/zinc/04/28/17/559042817.db2.gz LEUGPAKJDFLZQN-UHFFFAOYSA-N 0 1 400.508 2.286 50 0 HEAAMN COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)cc1 ZINC000024023446 559187962 /nfs/dbraw/zinc/18/79/62/559187962.db2.gz MIFYANMQCOETCT-UHFFFAOYSA-N 0 1 413.474 2.268 50 0 HEAAMN CCOC(=O)C1C(CSc2nnc(N)s2)=NC(=O)N[C@@H]1c1ccccc1C ZINC000005018313 559228847 /nfs/dbraw/zinc/22/88/47/559228847.db2.gz UARQMGHJFNLXFI-CYBMUJFWSA-N 0 1 405.505 2.392 50 0 HEAAMN Cc1c(C)n(C2CCCC2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n12 ZINC000005252182 560551662 /nfs/dbraw/zinc/55/16/62/560551662.db2.gz LGEDWYHNZRLCNM-UHFFFAOYSA-N 0 1 412.538 2.367 50 0 HEAAMN O=C(c1ccco1)N1CCN(c2nc3nn[nH]c3c(Nc3ccc(F)cc3)n2)CC1 ZINC000062022662 560567355 /nfs/dbraw/zinc/56/73/55/560567355.db2.gz MENQJUDYGLPABW-UHFFFAOYSA-N 0 1 408.397 2.186 50 0 HEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345749 560569972 /nfs/dbraw/zinc/56/99/72/560569972.db2.gz RGQPXDXCEJXXTL-PZTGFMGMSA-N 0 1 419.909 2.143 50 0 HEAAMN COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3O)=NN2)cc1 ZINC000101762599 560800784 /nfs/dbraw/zinc/80/07/84/560800784.db2.gz FPFWYIFTUPKMOO-OAHLLOKOSA-N 0 1 412.833 2.332 50 0 HEAAMN CSc1cccc(N2C[C@@H](C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000105653900 560876750 /nfs/dbraw/zinc/87/67/50/560876750.db2.gz USNCGMBRXBULGC-BBWFWOEESA-N 0 1 405.564 2.377 50 0 HEAAMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000048332006 568439859 /nfs/dbraw/zinc/43/98/59/568439859.db2.gz ZOCBTAFRCADCIU-INMHGKMJSA-N 0 1 409.477 2.185 50 0 HEAAMN CCOC(=O)C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000020532081 568627805 /nfs/dbraw/zinc/62/78/05/568627805.db2.gz VKPOLAYMRWORLN-HXUWFJFHSA-N 0 1 403.523 2.435 50 0 HEAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)N[C@]21c2ccccc2NC1=O ZINC000020610793 568636953 /nfs/dbraw/zinc/63/69/53/568636953.db2.gz GWRJPJGBVZPRFD-AZXNSQLWSA-N 0 1 419.481 2.272 50 0 biogenic HEAAMN CN1CCN([C@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614275 568637926 /nfs/dbraw/zinc/63/79/26/568637926.db2.gz RUQOIRPIKHMHJM-QGZVFWFLSA-N 0 1 403.429 2.412 50 0 HEAAMN CCc1n[nH]c(=O)c(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1CC ZINC000225444194 568638449 /nfs/dbraw/zinc/63/84/49/568638449.db2.gz KYZWBBFXGSLUSF-INIZCTEOSA-N 0 1 400.548 2.242 50 0 HEAAMN Cc1cc2c(cc1S(=O)(=O)N(CCN(C)C)Cc1cccs1)OCC(=O)N2 ZINC000021108558 568667742 /nfs/dbraw/zinc/66/77/42/568667742.db2.gz ZPSFKLITMFHSAG-UHFFFAOYSA-N 0 1 409.533 2.140 50 0 HEAAMN Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)no2)cn1 ZINC000096001806 568681410 /nfs/dbraw/zinc/68/14/10/568681410.db2.gz CFFFESQIJVELPF-QGZVFWFLSA-N 0 1 405.418 2.074 50 0 HEAAMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650731 568729071 /nfs/dbraw/zinc/72/90/71/568729071.db2.gz QKJNNYMLJKZHFA-UHFFFAOYSA-N 0 1 423.922 2.423 50 0 HEAAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582656 568770683 /nfs/dbraw/zinc/77/06/83/568770683.db2.gz SRHZQUAOJNAUQZ-NRFANRHFSA-N 0 1 410.518 2.047 50 0 HEAAMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCN(C)CC2)cc1 ZINC000022582871 568770979 /nfs/dbraw/zinc/77/09/79/568770979.db2.gz CLWLDWOTUNLQGS-OAQYLSRUSA-N 0 1 412.509 2.486 50 0 HEAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000012550521 568853259 /nfs/dbraw/zinc/85/32/59/568853259.db2.gz HUEIYIXEFUAPJW-UHFFFAOYSA-N 0 1 406.895 2.496 50 0 HEAAMN O=S(=O)(c1ccc(Sc2nc(-c3ccccc3)n[nH]2)nc1)N1CCOCC1 ZINC000012591779 568868390 /nfs/dbraw/zinc/86/83/90/568868390.db2.gz GVLXFSWYGIPXBR-UHFFFAOYSA-N 0 1 403.489 2.039 50 0 HEAAMN CCn1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299755283 568872598 /nfs/dbraw/zinc/87/25/98/568872598.db2.gz FQFWXVAQIRZDSK-OAQYLSRUSA-N 0 1 416.497 2.313 50 0 HEAAMN CC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000003349215 568885159 /nfs/dbraw/zinc/88/51/59/568885159.db2.gz KQHCABZREKOCDJ-UHFFFAOYSA-N 0 1 401.532 2.266 50 0 HEAAMN CCN1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272378 568957328 /nfs/dbraw/zinc/95/73/28/568957328.db2.gz YELZHZPQUNMNIF-GOSISDBHSA-N 0 1 424.545 2.437 50 0 HEAAMN CCN1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272380 568957347 /nfs/dbraw/zinc/95/73/47/568957347.db2.gz YELZHZPQUNMNIF-SFHVURJKSA-N 0 1 424.545 2.437 50 0 HEAAMN CCn1cc(-c2noc(CNS(=O)(=O)c3ccc(Br)s3)n2)cn1 ZINC000575414301 569025124 /nfs/dbraw/zinc/02/51/24/569025124.db2.gz CUTGQMOGCXVDIK-UHFFFAOYSA-N 0 1 418.298 2.256 50 0 HEAAMN CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1OC(C)=O ZINC000000607730 569032871 /nfs/dbraw/zinc/03/28/71/569032871.db2.gz JSZILQVIPPROJI-GUDVDZBRSA-N 0 1 404.507 2.423 50 0 world HEAAMN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)CCCC3 ZINC000006661382 569085367 /nfs/dbraw/zinc/08/53/67/569085367.db2.gz FOQMCHVSQJCOOI-UHFFFAOYSA-N 0 1 419.547 2.153 50 0 HEAAMN Cn1c2c(C(=O)NCc3ccco3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836094 569104576 /nfs/dbraw/zinc/10/45/76/569104576.db2.gz IIDQHBAZZOVTRE-UHFFFAOYSA-N 0 1 417.469 2.114 50 0 HEAAMN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000169772651 569171906 /nfs/dbraw/zinc/17/19/06/569171906.db2.gz AFPRDWSMLMUOPJ-QGZVFWFLSA-N 0 1 418.457 2.059 50 0 HEAAMN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(CCc2ccccc2)n[nH]1 ZINC000169772651 569171908 /nfs/dbraw/zinc/17/19/08/569171908.db2.gz AFPRDWSMLMUOPJ-QGZVFWFLSA-N 0 1 418.457 2.059 50 0 HEAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3n(c2)CCCN(CC)C3=O)cc1 ZINC000065258753 569210486 /nfs/dbraw/zinc/21/04/86/569210486.db2.gz SWAUPLROVWDEPX-UHFFFAOYSA-N 0 1 405.476 2.331 50 0 HEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000089866617 569267462 /nfs/dbraw/zinc/26/74/62/569267462.db2.gz YNWNHJKCKJGXBT-UHFFFAOYSA-N 0 1 421.438 2.371 50 0 HEAAMN Cc1c(C(=O)N2CCCN(Cc3ccccc3C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000027389767 569312307 /nfs/dbraw/zinc/31/23/07/569312307.db2.gz APSMIDLWJIPLSR-UHFFFAOYSA-N 0 1 406.490 2.333 50 0 HEAAMN C[C@H](NC(=O)[C@H](C)N1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972796 569422672 /nfs/dbraw/zinc/42/26/72/569422672.db2.gz FNXBHKZKWSKYRN-ROUUACIJSA-N 0 1 407.530 2.205 50 0 HEAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[n-]c(=O)c2C1 ZINC000067291837 571068188 /nfs/dbraw/zinc/06/81/88/571068188.db2.gz RXWMQTTYOGGALK-UHFFFAOYSA-N 0 1 402.476 2.410 50 0 HEAAMN O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008864232 571129083 /nfs/dbraw/zinc/12/90/83/571129083.db2.gz XGXVAJJFYBUXKB-INIZCTEOSA-N 0 1 401.488 2.411 50 0 HEAAMN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000040033894 571141125 /nfs/dbraw/zinc/14/11/25/571141125.db2.gz SUSBIAKGAXRWOH-SFHVURJKSA-N 0 1 413.865 2.283 50 0 HEAAMN CSc1cccc(N2C[C@H](C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086626 571157068 /nfs/dbraw/zinc/15/70/68/571157068.db2.gz USNCGMBRXBULGC-YESZJQIVSA-N 0 1 405.564 2.377 50 0 HEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000245225769 571217715 /nfs/dbraw/zinc/21/77/15/571217715.db2.gz NENBHCDKYAJCPI-QXEWZRGKSA-N 0 1 410.860 2.010 50 0 HEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O ZINC000009330061 571248560 /nfs/dbraw/zinc/24/85/60/571248560.db2.gz ZQOIJGBQXQWFPO-IBGZPJMESA-N 0 1 410.474 2.472 50 0 biogenic HEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009610936 571273638 /nfs/dbraw/zinc/27/36/38/571273638.db2.gz RUHCHWNDFXDSQK-UHFFFAOYSA-N 0 1 414.462 2.363 50 0 HEAAMN Cc1noc2nc(CCC(=O)NCCc3cnc[nH]3)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000035526648 571316970 /nfs/dbraw/zinc/31/69/70/571316970.db2.gz PLXFNCRLOWIPSS-ZIAGYGMSSA-N 0 1 411.510 2.423 50 0 HEAAMN