smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1 ZINC000015860307 210174771 /nfs/dbraw/zinc/17/47/71/210174771.db2.gz CLVNNNNQCSYCIZ-OAQYLSRUSA-N 0 1 384.520 4.578 50 0 GJAAMN COC(=O)c1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)cc1 ZINC000015074909 210150933 /nfs/dbraw/zinc/15/09/33/210150933.db2.gz BBMRSEGQZQKJKT-UHFFFAOYSA-N 0 1 390.483 4.849 50 0 GJAAMN O=C(CCC1CCN(Cc2nc3c(s2)CCCC3)CC1)Nc1ccccc1 ZINC000015071555 210148881 /nfs/dbraw/zinc/14/88/81/210148881.db2.gz PNDGMLYQGMEOFX-UHFFFAOYSA-N 0 1 383.561 4.653 50 0 GJAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 ZINC000013786351 210090068 /nfs/dbraw/zinc/09/00/68/210090068.db2.gz FAACTDGNFHHGQS-GMKZXUHWSA-N 0 1 399.506 4.711 50 0 GJAAMN Cc1nn(C)cc1CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000013595097 210070474 /nfs/dbraw/zinc/07/04/74/210070474.db2.gz YMBIWIDPDSRBRJ-HXUWFJFHSA-N 0 1 391.490 4.630 50 0 GJAAMN COc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013074115 210049875 /nfs/dbraw/zinc/04/98/75/210049875.db2.gz IOIRVFIYFXTCCZ-UHFFFAOYSA-N 0 1 399.312 4.534 50 0 GJAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)N2CCCCC2)cc1 ZINC000008613324 209788242 /nfs/dbraw/zinc/78/82/42/209788242.db2.gz DSAIVPSHPBSLFT-OAQYLSRUSA-N 0 1 392.499 4.707 50 0 GJAAMN CCc1ccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000006819283 209693985 /nfs/dbraw/zinc/69/39/85/209693985.db2.gz MBDDHYNNSZBAEH-UHFFFAOYSA-N 0 1 385.939 4.936 50 0 GJAAMN COc1cccc(OP(=O)(Nc2ccccn2)Oc2cccc(OC)c2)c1 ZINC000002303174 209356050 /nfs/dbraw/zinc/35/60/50/209356050.db2.gz FSXQWIHNCGZWRF-UHFFFAOYSA-N 0 1 386.344 4.777 50 0 GJAAMN CC[C@@H](C)C(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000002257108 209351975 /nfs/dbraw/zinc/35/19/75/209351975.db2.gz PSXHLVPSIBVITL-MRVPVSSYSA-N 0 1 376.728 4.735 50 0 GJAAMN Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2c1 ZINC000004359101 204040785 /nfs/dbraw/zinc/04/07/85/204040785.db2.gz ORXIFCSZLILJJA-UHFFFAOYSA-N 0 1 379.938 4.528 50 0 GJAAMN CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2CCOC)cc1 ZINC000004679108 204063067 /nfs/dbraw/zinc/06/30/67/204063067.db2.gz PSYKPURRTYQNBQ-UHFFFAOYSA-N 0 1 385.895 4.861 50 0 GJAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006752785 204200297 /nfs/dbraw/zinc/20/02/97/204200297.db2.gz MOKXJLTUCQAREX-HSZRJFAPSA-N 0 1 399.450 4.683 50 0 GJAAMN COc1ccc(-c2coc3c(C)c(OCCN4CCCCC4)ccc3c2=O)cc1 ZINC000006758974 204200843 /nfs/dbraw/zinc/20/08/43/204200843.db2.gz RYCOEJKJCCLPME-UHFFFAOYSA-N 0 1 393.483 4.642 50 0 biogenic GJAAMN C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000008213904 204265437 /nfs/dbraw/zinc/26/54/37/204265437.db2.gz KTOZHHPBJDYJGV-QGZVFWFLSA-N 0 1 393.556 4.695 50 0 GJAAMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000008428071 204276635 /nfs/dbraw/zinc/27/66/35/204276635.db2.gz QBRYOKAEAIWNPR-JTQLQIEISA-N 0 1 393.299 4.898 50 0 GJAAMN CCCCc1ncc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)[nH]1 ZINC000011935470 204363013 /nfs/dbraw/zinc/36/30/13/204363013.db2.gz QZXKREOFUVEDJU-IBGZPJMESA-N 0 1 383.536 4.634 50 0 GJAAMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000012301600 204391334 /nfs/dbraw/zinc/39/13/34/204391334.db2.gz IOCAABZTXJMNBJ-LJQANCHMSA-N 0 1 385.577 4.898 50 0 GJAAMN C[S@](=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000018274812 204619595 /nfs/dbraw/zinc/61/95/95/204619595.db2.gz CDMGBJANTYXAIV-HHHXNRCGSA-N 0 1 377.444 4.682 50 0 in-vivo GJAAMN Cc1ccc(C2=NN(C(=O)CN(C)C(C)C)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340989 205011007 /nfs/dbraw/zinc/01/10/07/205011007.db2.gz ATRIQJWBFRBMBZ-JOCHJYFZSA-N 0 1 397.950 4.975 50 0 GJAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1O ZINC000037522290 205027461 /nfs/dbraw/zinc/02/74/61/205027461.db2.gz UGFWBHZXNMTAMG-DEOSSOPVSA-N 0 1 376.500 4.814 50 0 GJAAMN CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000037587678 205030175 /nfs/dbraw/zinc/03/01/75/205030175.db2.gz NQFGEWITFIOSCI-UHFFFAOYSA-N 0 1 394.559 4.911 50 0 GJAAMN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040082802 205049473 /nfs/dbraw/zinc/04/94/73/205049473.db2.gz UNIXFKKNHNXBLY-UHFFFAOYSA-N 0 1 377.341 4.507 50 0 GJAAMN Cc1ccc(-n2cc(CN[C@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055089300 205140724 /nfs/dbraw/zinc/14/07/24/205140724.db2.gz HMDDVVXZXPABFL-QGZVFWFLSA-N 0 1 387.462 4.628 50 0 GJAAMN Cc1ccc2c(CN(C)Cc3ccc(Br)cc3)cc(=O)oc2c1C ZINC000057303466 205154371 /nfs/dbraw/zinc/15/43/71/205154371.db2.gz OPKOHGFCTANWSS-UHFFFAOYSA-N 0 1 386.289 4.804 50 0 GJAAMN COc1ccccc1[C@@H](C)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057688696 205161858 /nfs/dbraw/zinc/16/18/58/205161858.db2.gz OTIGPPWIOPFFHT-CHWSQXEVSA-N 0 1 381.303 4.530 50 0 GJAAMN Cc1ccc(NS(=O)(=O)c2cccnc2Nc2ccc(F)c(C)c2)cc1C ZINC000064757575 205194320 /nfs/dbraw/zinc/19/43/20/205194320.db2.gz AKAHTRXDPNLVFE-UHFFFAOYSA-N 0 1 385.464 4.690 50 0 GJAAMN Cc1cc(C)c2c(n1)sc1c2[nH]c(-c2ccc(Br)cc2)nc1=O ZINC000078549436 205375707 /nfs/dbraw/zinc/37/57/07/205375707.db2.gz YKNQWVICCFUPGB-UHFFFAOYSA-N 0 1 386.274 4.579 50 0 GJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(C)cc3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398585 211342159 /nfs/dbraw/zinc/34/21/59/211342159.db2.gz XELTVBJAFJJDLS-UHFFFAOYSA-N 0 1 388.471 4.550 50 0 GJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)COc2ccc(F)cc2)[nH]n1 ZINC000096400284 211342032 /nfs/dbraw/zinc/34/20/32/211342032.db2.gz XLAOOFUQUYNCET-UHFFFAOYSA-N 0 1 392.434 4.516 50 0 GJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)on1 ZINC000096323454 211334732 /nfs/dbraw/zinc/33/47/32/211334732.db2.gz IYXCBJQRPFDSPZ-UHFFFAOYSA-N 0 1 382.894 4.783 50 0 GJAAMN CCOc1c(OC)cc(CN2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000095997186 211292422 /nfs/dbraw/zinc/29/24/22/211292422.db2.gz RMWOMXGNQNQQKG-UHFFFAOYSA-N 0 1 392.499 4.873 50 0 GJAAMN O[C@@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1C(F)(F)F ZINC000060464229 210928199 /nfs/dbraw/zinc/92/81/99/210928199.db2.gz LGBSDUTUGADZNR-SFHVURJKSA-N 0 1 390.405 4.760 50 0 GJAAMN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478256 210789186 /nfs/dbraw/zinc/78/91/86/210789186.db2.gz GMHRPYCDBIDKLE-UHFFFAOYSA-N 0 1 385.851 4.780 50 0 GJAAMN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc(C(C)C)[nH]n2)n1 ZINC000020293652 210327289 /nfs/dbraw/zinc/32/72/89/210327289.db2.gz KVJPAZKHZZCXGP-DEOSSOPVSA-N 0 1 385.515 4.866 50 0 GJAAMN Cc1noc(-c2ccccc2)c1CN1CCc2n[nH]c(Cc3ccccc3)c2C1 ZINC000019853162 210301839 /nfs/dbraw/zinc/30/18/39/210301839.db2.gz DSZADXKHGWPBLA-UHFFFAOYSA-N 0 1 384.483 4.522 50 0 GJAAMN CN1CCN([C@@H]2Cc3ccccc3Sc3cc(C(F)(F)F)ccc32)CC1 ZINC000019802414 210298095 /nfs/dbraw/zinc/29/80/95/210298095.db2.gz LYSTXBLNUSUUQY-QGZVFWFLSA-N 0 1 378.463 4.701 50 0 GJAAMN COc1ccc2nc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)[nH]c2c1 ZINC000008231624 525679871 /nfs/dbraw/zinc/67/98/71/525679871.db2.gz BMONZKPFZLDKCI-ZDUSSCGKSA-N 0 1 399.541 4.581 50 0 GJAAMN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc2cccnc21 ZINC000000648447 570214273 /nfs/dbraw/zinc/21/42/73/570214273.db2.gz ALDVBVVOAOOFIN-UHFFFAOYSA-N 0 1 376.437 4.828 50 0 GJAAMN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170946 570244191 /nfs/dbraw/zinc/24/41/91/570244191.db2.gz VRCZPQMIJUQRQY-INIZCTEOSA-N 0 1 393.512 4.730 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170946 570244192 /nfs/dbraw/zinc/24/41/92/570244192.db2.gz VRCZPQMIJUQRQY-INIZCTEOSA-N 0 1 393.512 4.730 50 0 GJAAMN COC(=O)Nc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 ZINC000001158829 570251371 /nfs/dbraw/zinc/25/13/71/570251371.db2.gz XKITZYCEXGUAEG-UHFFFAOYSA-N 0 1 386.622 4.916 50 0 GJAAMN CCOc1cc2c(cc1CN1CCC(c3nc4ccccc4o3)CC1)O[C@H](C)C2 ZINC000012872618 570273751 /nfs/dbraw/zinc/27/37/51/570273751.db2.gz FTGPBUDOFFUUKQ-MRXNPFEDSA-N 0 1 392.499 4.930 50 0 GJAAMN Cc1c(Cl)cccc1C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215035857 570284554 /nfs/dbraw/zinc/28/45/54/570284554.db2.gz UGNFXIDXGHHUKL-UHFFFAOYSA-N 0 1 386.282 4.890 50 0 GJAAMN C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021805957 570296786 /nfs/dbraw/zinc/29/67/86/570296786.db2.gz YVHDVDWLSLMOTR-SNVBAGLBSA-N 0 1 384.427 4.600 50 0 GJAAMN C[C@@H](Sc1n[nH]c(C2CCCC2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021805957 570296788 /nfs/dbraw/zinc/29/67/88/570296788.db2.gz YVHDVDWLSLMOTR-SNVBAGLBSA-N 0 1 384.427 4.600 50 0 GJAAMN COc1cccc(C[C@@H](C)C(=O)Nc2ccc3nc(-c4cscn4)[nH]c3c2)c1 ZINC000209810670 570310300 /nfs/dbraw/zinc/31/03/00/570310300.db2.gz BRHVBJUDTWQELF-CYBMUJFWSA-N 0 1 392.484 4.512 50 0 in-vitro GJAAMN CCCc1n[nH]c(CCc2ccc(OC)cc2)c1NC(=O)c1cccc(F)c1 ZINC000034795238 570337470 /nfs/dbraw/zinc/33/74/70/570337470.db2.gz WEEJAIAQOHETFF-UHFFFAOYSA-N 0 1 381.451 4.547 50 0 GJAAMN Cc1cc2oc(-c3cc4ccccc4o3)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000604406338 570358067 /nfs/dbraw/zinc/35/80/67/570358067.db2.gz MMCUVWKDMJWYCJ-UHFFFAOYSA-N 0 1 390.347 4.742 50 0 biogenic GJAAMN CCN(CC)[C@H](CNC(=O)COc1cc(C)cc(C)c1)c1ccccc1Cl ZINC000027579701 570435722 /nfs/dbraw/zinc/43/57/22/570435722.db2.gz DTNDYBVBBMCKER-OAQYLSRUSA-N 0 1 388.939 4.535 50 0 GJAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027583620 570436801 /nfs/dbraw/zinc/43/68/01/570436801.db2.gz NCURCIJIEZOURL-KRWDZBQOSA-N 0 1 386.492 4.899 50 0 GJAAMN Cc1ccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@H](c3ccccc3)C2)cc1C ZINC000248080194 570438614 /nfs/dbraw/zinc/43/86/14/570438614.db2.gz IPHKBOSCQMRMDI-YKSBVNFPSA-N 0 1 389.543 4.856 50 0 GJAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1OC ZINC000005158139 570442915 /nfs/dbraw/zinc/44/29/15/570442915.db2.gz FKRPXPXSMAVQSM-ZTCOLXNVSA-N 0 1 399.506 4.711 50 0 GJAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1OC ZINC000005158139 570442918 /nfs/dbraw/zinc/44/29/18/570442918.db2.gz FKRPXPXSMAVQSM-ZTCOLXNVSA-N 0 1 399.506 4.711 50 0 GJAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(c2ccccc2)CC1 ZINC000054114280 570446117 /nfs/dbraw/zinc/44/61/17/570446117.db2.gz DUHNMPWAWHWCHD-RUZDIDTESA-N 0 1 382.511 4.783 50 0 GJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)n1c2ccccc2c2c1CCCC2 ZINC000005647836 570449905 /nfs/dbraw/zinc/44/99/05/570449905.db2.gz HWRTWEQYWFNLRM-UHFFFAOYSA-N 0 1 388.496 4.738 50 0 GJAAMN CCOc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OCC ZINC000054202442 570453299 /nfs/dbraw/zinc/45/32/99/570453299.db2.gz BUEYVAWGJRYUHI-UHFFFAOYSA-N 0 1 398.459 4.802 50 0 biogenic GJAAMN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690030 570494478 /nfs/dbraw/zinc/49/44/78/570494478.db2.gz KBAIUAJMRMHVQW-WBMJQRKESA-N 0 1 390.940 4.534 50 0 GJAAMN CCc1nc2sc([C@@H](c3cccc(Cl)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690029 570494759 /nfs/dbraw/zinc/49/47/59/570494759.db2.gz SRUCLAWPDCBJCA-MLGOLLRUSA-N 0 1 390.940 4.534 50 0 GJAAMN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000022672589 570501821 /nfs/dbraw/zinc/50/18/21/570501821.db2.gz AMCOKLHDDZEKRL-GOSISDBHSA-N 0 1 383.879 4.552 50 0 GJAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 ZINC000005253053 570529622 /nfs/dbraw/zinc/52/96/22/570529622.db2.gz FAACTDGNFHHGQS-JRFVFWCSSA-N 0 1 399.506 4.711 50 0 GJAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006753253 570570560 /nfs/dbraw/zinc/57/05/60/570570560.db2.gz CQZQDPZQJNELTQ-HSZRJFAPSA-N 0 1 399.450 4.738 50 0 aggregator GJAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@H](C)O)C(C)C ZINC000036341999 570626068 /nfs/dbraw/zinc/62/60/68/570626068.db2.gz DNIGMSTYEPUJIP-KRWDZBQOSA-N 0 1 397.494 4.703 50 0 GJAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341589 570626088 /nfs/dbraw/zinc/62/60/88/570626088.db2.gz ROKUZCBFBXVSMR-DEOSSOPVSA-N 0 1 389.543 4.713 50 0 GJAAMN N=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000004864196 570641487 /nfs/dbraw/zinc/64/14/87/570641487.db2.gz XHRVIJYVANHSIO-IBGZPJMESA-N 0 1 389.846 4.769 50 0 GJAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)[nH]n2)cc1 ZINC000012415144 570656877 /nfs/dbraw/zinc/65/68/77/570656877.db2.gz AMVRCYYRZGDDLF-UHFFFAOYSA-N 0 1 376.416 4.591 50 0 GJAAMN COC(=O)c1ccc(-c2nc(CN(C)[C@H]3CCCc4ccccc43)c(C)o2)cc1 ZINC000012430612 570659156 /nfs/dbraw/zinc/65/91/56/570659156.db2.gz RJKVNQCZXKCVMB-QFIPXVFZSA-N 0 1 390.483 4.946 50 0 GJAAMN CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1 ZINC000012434784 570661796 /nfs/dbraw/zinc/66/17/96/570661796.db2.gz OJGPOHOXFKPODP-IBGZPJMESA-N 0 1 391.540 4.689 50 0 GJAAMN COc1ccc2[nH]c(CN3CCC[C@H](C(=O)c4ccccc4OC)C3)c(C)c2c1 ZINC000012455146 570669282 /nfs/dbraw/zinc/66/92/82/570669282.db2.gz FQTANAVRQFYCGA-KRWDZBQOSA-N 0 1 392.499 4.588 50 0 GJAAMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nc1Cc1ccccc1 ZINC000008719413 570681445 /nfs/dbraw/zinc/68/14/45/570681445.db2.gz JMPPQMSYCPRMAT-KRWDZBQOSA-N 0 1 393.556 4.895 50 0 GJAAMN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)no2)cc1C ZINC000032623109 570707716 /nfs/dbraw/zinc/70/77/16/570707716.db2.gz CQJTZZSWCSIYIB-HXUWFJFHSA-N 0 1 397.906 4.645 50 0 GJAAMN Cc1cc(Br)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003991758 570726449 /nfs/dbraw/zinc/72/64/49/570726449.db2.gz FODZCOVJUJBZAI-UHFFFAOYSA-N 0 1 395.105 4.865 50 0 GJAAMN COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)cc1 ZINC000206882953 570754465 /nfs/dbraw/zinc/75/44/65/570754465.db2.gz PPMWLYVGHAVCCM-INIZCTEOSA-N 0 1 381.501 4.557 50 0 GJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000005867975 570799333 /nfs/dbraw/zinc/79/93/33/570799333.db2.gz WGAFQWSPMGZBMZ-AWEZNQCLSA-N 0 1 376.485 4.933 50 0 GJAAMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000014165310 570825880 /nfs/dbraw/zinc/82/58/80/570825880.db2.gz SLUVGFWTALKKAM-KRWDZBQOSA-N 0 1 390.483 4.660 50 0 GJAAMN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102850420 570867720 /nfs/dbraw/zinc/86/77/20/570867720.db2.gz PWSSKSYDSPYWTM-RDTXWAMCSA-N 0 1 384.549 4.750 50 0 GJAAMN CCn1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)n1 ZINC000015063657 570875227 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ZINC000014989480 570870426 /nfs/dbraw/zinc/87/04/26/570870426.db2.gz VDZRVMZHLHYXKI-IBGZPJMESA-N 0 1 384.483 4.588 50 0 GJAAMN CCCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 ZINC000016780616 570933649 /nfs/dbraw/zinc/93/36/49/570933649.db2.gz GNPRNLNIWHVLAW-UHFFFAOYSA-N 0 1 383.897 4.637 50 0 GJAAMN O=S(=O)(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000012648345 570935377 /nfs/dbraw/zinc/93/53/77/570935377.db2.gz YIUIPXDHCVQSNN-UHFFFAOYSA-N 0 1 383.860 4.684 50 0 GJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000005441686 570947421 /nfs/dbraw/zinc/94/74/21/570947421.db2.gz FJUCQYUXJZEVIC-IBGZPJMESA-N 0 1 379.437 4.717 50 0 biogenic GJAAMN CC1=Nc2ccccc2N=C(NC(=O)CN2CCCCCC2)[C@H]1c1ccccc1 ZINC000018180546 570950947 /nfs/dbraw/zinc/95/09/47/570950947.db2.gz GGEYSCGUTBSVDO-HSZRJFAPSA-N 0 1 388.515 4.599 50 0 GJAAMN C[C@H](NCc1ccc(Br)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000045822186 570997058 /nfs/dbraw/zinc/99/70/58/570997058.db2.gz KWTVZPBWVXIFHK-LBPRGKRZSA-N 0 1 391.284 4.788 50 0 GJAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)s1 ZINC000046056354 571016029 /nfs/dbraw/zinc/01/60/29/571016029.db2.gz SLPQETHYQIKRKF-OAHLLOKOSA-N 0 1 399.903 4.767 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)s1 ZINC000046056354 571016030 /nfs/dbraw/zinc/01/60/30/571016030.db2.gz SLPQETHYQIKRKF-OAHLLOKOSA-N 0 1 399.903 4.767 50 0 GJAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046056766 571016476 /nfs/dbraw/zinc/01/64/76/571016476.db2.gz BKQNPNFLSYRKFC-FQEVSTJZSA-N 0 1 387.483 4.723 50 0 GJAAMN Cc1nn(-c2ccc(C)cc2)c2c1C(=C(O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056507 571016628 /nfs/dbraw/zinc/01/66/28/571016628.db2.gz YGNZURQSHJYUST-NRFANRHFSA-N 0 1 395.462 4.951 50 0 GJAAMN Cc1nn(-c2cccc(C)c2C)c2c1[C@@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046057320 571017359 /nfs/dbraw/zinc/01/73/59/571017359.db2.gz FHJGPYMEWCSZDK-IBGZPJMESA-N 0 1 387.483 4.723 50 0 GJAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2cc(C)sc2C)c1 ZINC000046057446 571017722 /nfs/dbraw/zinc/01/77/22/571017722.db2.gz WBNJWVOYVMJCEW-SFHVURJKSA-N 0 1 393.512 4.730 50 0 GJAAMN O[C@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1C(F)(F)F ZINC000084501580 571019588 /nfs/dbraw/zinc/01/95/88/571019588.db2.gz LGBSDUTUGADZNR-GOSISDBHSA-N 0 1 390.405 4.760 50 0 GJAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000084514399 571021226 /nfs/dbraw/zinc/02/12/26/571021226.db2.gz CLKNTLAUWYTQBZ-MRXNPFEDSA-N 0 1 383.854 4.717 50 0 GJAAMN CCCCCOc1ccc([C@](C)(O)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000015942319 210179592 /nfs/dbraw/zinc/17/95/92/210179592.db2.gz PATRGQJCCXOKSK-RPBOFIJWSA-N 0 1 397.559 4.579 50 0 GJAAMN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000015017197 210143020 /nfs/dbraw/zinc/14/30/20/210143020.db2.gz DNNCFMOWYWOBDJ-IRLDBZIGSA-N 0 1 382.891 4.592 50 0 GJAAMN CC[C@H](Sc1nc(C)c(-c2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000013945133 210098110 /nfs/dbraw/zinc/09/81/10/210098110.db2.gz RTJZXYQOJIUBJC-LIRRHRJNSA-N 0 1 395.528 4.839 50 0 GJAAMN Cc1cc(C)c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c(C)c1 ZINC000012875865 210021347 /nfs/dbraw/zinc/02/13/47/210021347.db2.gz RYRLFRBWDFZEIG-UHFFFAOYSA-N 0 1 394.515 4.724 50 0 GJAAMN [O-][C@@]1(C(F)(F)F)C=C(c2cccs2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005243170 212065071 /nfs/dbraw/zinc/06/50/71/212065071.db2.gz XYSMJENXIMGCDA-MRXNPFEDSA-N 0 1 395.431 4.737 50 0 GJAAMN O[C@@]1(C(F)(F)F)C=C(c2cccs2)NN1c1nc(-c2ccccc2)cs1 ZINC000005243170 212065073 /nfs/dbraw/zinc/06/50/73/212065073.db2.gz XYSMJENXIMGCDA-MRXNPFEDSA-N 0 1 395.431 4.737 50 0 GJAAMN COc1ccc([C@H](CNC(=S)Nc2cccc(C)c2C)N2CCCCC2)cc1 ZINC000003429054 204006654 /nfs/dbraw/zinc/00/66/54/204006654.db2.gz LBGFMPRHXDOXHB-QFIPXVFZSA-N 0 1 397.588 4.826 50 0 GJAAMN COc1ccc(Nc2nc(CSc3nc(-c4ccccc4)n[nH]3)cs2)cc1 ZINC000006559347 204183737 /nfs/dbraw/zinc/18/37/37/204183737.db2.gz WHYMSOKERDEABG-UHFFFAOYSA-N 0 1 395.513 4.973 50 0 GJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 ZINC000006752996 204201606 /nfs/dbraw/zinc/20/16/06/204201606.db2.gz NZIQWFQQLKEHNU-FQEVSTJZSA-N 0 1 381.863 4.781 50 0 GJAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1F ZINC000006767515 204202707 /nfs/dbraw/zinc/20/27/07/204202707.db2.gz NTVHQCUOGHJGOP-UHFFFAOYSA-N 0 1 375.875 4.513 50 0 GJAAMN COc1ccc2nc(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)[nH]c2c1 ZINC000008813102 204290895 /nfs/dbraw/zinc/29/08/95/204290895.db2.gz ORSHENGXQPFGRU-MRXNPFEDSA-N 0 1 396.497 4.500 50 0 GJAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)c1 ZINC000008845825 204290974 /nfs/dbraw/zinc/29/09/74/204290974.db2.gz MWYIOXNSKMWRDM-JOCHJYFZSA-N 0 1 391.471 4.526 50 0 GJAAMN COc1ccc(Br)cc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000008562396 204278931 /nfs/dbraw/zinc/27/89/31/204278931.db2.gz KHECTRAVHYUSJB-UHFFFAOYSA-N 0 1 394.269 4.674 50 0 GJAAMN Cc1cc(C)c(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c(C)c1 ZINC000010139798 204331507 /nfs/dbraw/zinc/33/15/07/204331507.db2.gz YXLVKURPKIEOEE-UHFFFAOYSA-N 0 1 375.516 4.911 50 0 GJAAMN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225079 204331795 /nfs/dbraw/zinc/33/17/95/204331795.db2.gz XJTHKZYPJANFFD-QGZVFWFLSA-N 0 1 391.515 4.692 50 0 GJAAMN Brc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 ZINC000010315526 204333826 /nfs/dbraw/zinc/33/38/26/204333826.db2.gz SLUIYWIFFFSVDJ-UHFFFAOYSA-N 0 1 383.289 4.713 50 0 GJAAMN CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)Cc1n[nH]c2c1CCCC2 ZINC000011817578 204354285 /nfs/dbraw/zinc/35/42/85/204354285.db2.gz BPTVIZHOMLFBLP-UHFFFAOYSA-N 0 1 397.526 4.978 50 0 GJAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012301928 204390567 /nfs/dbraw/zinc/39/05/67/204390567.db2.gz YQSKMUGDBMNLST-UHFFFAOYSA-N 0 1 392.503 4.750 50 0 GJAAMN Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036343502 205011604 /nfs/dbraw/zinc/01/16/04/205011604.db2.gz HNGLITSSCYVGEZ-GBXCKJPGSA-N 0 1 389.543 4.856 50 0 GJAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc(C)ccc2C)cc1 ZINC000046056670 205102904 /nfs/dbraw/zinc/10/29/04/205102904.db2.gz RPXUGGCOEXYUOP-HXUWFJFHSA-N 0 1 387.483 4.669 50 0 GJAAMN Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056483 205102928 /nfs/dbraw/zinc/10/29/28/205102928.db2.gz GWBHUHWLPVHVJI-GOSISDBHSA-N 0 1 393.874 4.760 50 0 GJAAMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000057383513 205156305 /nfs/dbraw/zinc/15/63/05/205156305.db2.gz VGRYNSYRMHTZRT-QGZVFWFLSA-N 0 1 390.483 4.660 50 0 GJAAMN Cc1sc(C)c(S(=O)(=O)Nc2cccc3ccccc32)c1-c1ccno1 ZINC000064845249 205197716 /nfs/dbraw/zinc/19/77/16/205197716.db2.gz NJDQVAWMGXJAFA-UHFFFAOYSA-N 0 1 384.482 4.974 50 0 GJAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)sc(C)c1-c1ccno1 ZINC000064845153 205197797 /nfs/dbraw/zinc/19/77/97/205197797.db2.gz BCNYTPMXRLPTFO-UHFFFAOYSA-N 0 1 376.503 4.692 50 0 GJAAMN Cc1c2cc(Cl)cc(CNC(=O)[C@@H]3CCCN3C)c2[nH]c1-c1ccccc1 ZINC000071759816 205293513 /nfs/dbraw/zinc/29/35/13/205293513.db2.gz AGHAEEBPXPXGGG-IBGZPJMESA-N 0 1 381.907 4.507 50 0 GJAAMN CC(=O)c1ccc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)cc1 ZINC000077523900 205365657 /nfs/dbraw/zinc/36/56/57/205365657.db2.gz GECHTIRPCNCWAB-UHFFFAOYSA-N 0 1 387.483 4.608 50 0 GJAAMN CSCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032983783 206098885 /nfs/dbraw/zinc/09/88/85/206098885.db2.gz TUNGNTWYYUVQNM-HXUWFJFHSA-N 0 1 394.540 4.863 50 0 GJAAMN CCn1c(-c2cc(NC(=O)Cc3ccccc3C)[nH]n2)cc2cc(OC)ccc21 ZINC000096398606 211342230 /nfs/dbraw/zinc/34/22/30/211342230.db2.gz HDMGOIKMYLJWFK-UHFFFAOYSA-N 0 1 388.471 4.550 50 0 GJAAMN CCOc1ccc(/C=C\C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1 ZINC000096402495 211341666 /nfs/dbraw/zinc/34/16/66/211341666.db2.gz FONSJTUKZYBHBP-XFXZXTDPSA-N 0 1 396.556 4.594 50 0 GJAAMN CN1CC2(CCC1=O)CCN(Cc1ccc(SC3CCCCC3)o1)CC2 ZINC000091574847 211196505 /nfs/dbraw/zinc/19/65/05/211196505.db2.gz NNAJLTITWCRLOH-UHFFFAOYSA-N 0 1 376.566 4.539 50 0 GJAAMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)[nH]1 ZINC000071613898 211048726 /nfs/dbraw/zinc/04/87/26/211048726.db2.gz VULWYDJXYHKLTF-HNNXBMFYSA-N 0 1 383.442 4.635 50 0 GJAAMN Cc1nn(-c2cccc(Cl)c2C)c2c1C(=C(O)c1ccc(C)cc1)CC(=O)N2 ZINC000046056409 210832639 /nfs/dbraw/zinc/83/26/39/210832639.db2.gz LAWNGURKEMLEMV-INIZCTEOSA-N 0 1 393.874 4.760 50 0 GJAAMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000021796106 210392482 /nfs/dbraw/zinc/39/24/82/210392482.db2.gz QTCZIIMWGLGSEB-NWDGAFQWSA-N 0 1 386.801 4.916 50 0 GJAAMN Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 ZINC000021805508 210394483 /nfs/dbraw/zinc/39/44/83/210394483.db2.gz NBPIKDUCUUGOAU-LJQANCHMSA-N 0 1 395.528 4.669 50 0 GJAAMN Fc1ccc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019815158 210300180 /nfs/dbraw/zinc/30/01/80/210300180.db2.gz UBBDOQMCEIIYLD-UHFFFAOYSA-N 0 1 390.502 4.612 50 0 GJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC([C@H](O)CC(C)C)CC1 ZINC000019595147 210274855 /nfs/dbraw/zinc/27/48/55/210274855.db2.gz IVSVMPCMGVGLKP-HXUWFJFHSA-N 0 1 376.928 4.922 50 0 GJAAMN CCN(CC)[C@H](CNC(=O)COc1cccc(C)c1C)c1ccccc1Cl 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204368749 /nfs/dbraw/zinc/36/87/49/204368749.db2.gz WXXOURSSSCYIRH-IBGZPJMESA-N 0 1 384.470 4.822 50 0 GJAAMN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012302176 204392124 /nfs/dbraw/zinc/39/21/24/204392124.db2.gz YGGXUTOLZZTSSH-SFHVURJKSA-N 0 1 390.418 4.698 50 0 GJAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccn3)CC2)cc1 ZINC000034682945 204971941 /nfs/dbraw/zinc/97/19/41/204971941.db2.gz DCPKJBSDSAKIPA-UHFFFAOYSA-N 0 1 385.511 4.701 50 0 GJAAMN Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC(C)CC1 ZINC000036344859 205010673 /nfs/dbraw/zinc/01/06/73/205010673.db2.gz XOARUQHYYJRBND-QHCPKHFHSA-N 0 1 393.506 4.544 50 0 GJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](C)O ZINC000036316303 205011782 /nfs/dbraw/zinc/01/17/82/205011782.db2.gz OIMKCVUZZNBEAA-IBGZPJMESA-N 0 1 393.531 4.820 50 0 GJAAMN Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345243 205012106 /nfs/dbraw/zinc/01/21/06/205012106.db2.gz OKVZTXMSZGKNJJ-QHCPKHFHSA-N 0 1 393.506 4.544 50 0 GJAAMN COc1cccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)c1 ZINC000046914085 205107615 /nfs/dbraw/zinc/10/76/15/205107615.db2.gz OVVXXOPGBKYSMW-UHFFFAOYSA-N 0 1 397.232 4.565 50 0 GJAAMN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)s1 ZINC000046056352 205102702 /nfs/dbraw/zinc/10/27/02/205102702.db2.gz OISUREKSMHCHFI-HNNXBMFYSA-N 0 1 399.903 4.767 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)s1 ZINC000046056352 205102705 /nfs/dbraw/zinc/10/27/05/205102705.db2.gz OISUREKSMHCHFI-HNNXBMFYSA-N 0 1 399.903 4.767 50 0 GJAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)s1 ZINC000046056338 205102742 /nfs/dbraw/zinc/10/27/42/205102742.db2.gz FOAJNGQDQVYLRV-QGZVFWFLSA-N 0 1 393.512 4.676 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)s1 ZINC000046056338 205102745 /nfs/dbraw/zinc/10/27/45/205102745.db2.gz FOAJNGQDQVYLRV-QGZVFWFLSA-N 0 1 393.512 4.676 50 0 GJAAMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000063114055 205186193 /nfs/dbraw/zinc/18/61/93/205186193.db2.gz GGDFFROIMYFVKK-GFCCVEGCSA-N 0 1 381.328 4.688 50 0 GJAAMN CCc1ccc([C@H](NCC(=O)N2CCc3ccccc32)c2cccs2)cc1 ZINC000057574251 205159731 /nfs/dbraw/zinc/15/97/31/205159731.db2.gz KGTKLARHHUCVIQ-QHCPKHFHSA-N 0 1 376.525 4.579 50 0 GJAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)sc(C)c1-c1cc(C)no1 ZINC000064845515 205197932 /nfs/dbraw/zinc/19/79/32/205197932.db2.gz KMLOXDQXBARDBP-UHFFFAOYSA-N 0 1 390.530 5.000 50 0 GJAAMN O=c1cc(CSc2nc3ccc(Cl)cc3[nH]2)nc2sc3ccccc3n21 ZINC000032911166 206095635 /nfs/dbraw/zinc/09/56/35/206095635.db2.gz CBSZAEPZKFIMHE-UHFFFAOYSA-N 0 1 398.900 4.731 50 0 GJAAMN [O-][C@]1(C(F)(F)F)C=C(c2cccs2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005243172 206215643 /nfs/dbraw/zinc/21/56/43/206215643.db2.gz XYSMJENXIMGCDA-INIZCTEOSA-N 0 1 395.431 4.737 50 0 GJAAMN O[C@]1(C(F)(F)F)C=C(c2cccs2)NN1c1nc(-c2ccccc2)cs1 ZINC000005243172 206215647 /nfs/dbraw/zinc/21/56/47/206215647.db2.gz XYSMJENXIMGCDA-INIZCTEOSA-N 0 1 395.431 4.737 50 0 GJAAMN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(C)c2C)c1C ZINC000096341437 211336903 /nfs/dbraw/zinc/33/69/03/211336903.db2.gz LDHAQHMHVSQDAA-UHFFFAOYSA-N 0 1 389.546 4.790 50 0 GJAAMN O=S(=O)(Cc1ccc(F)cc1F)Nc1ccc(Cl)cc1C(F)(F)F ZINC000095452966 211242834 /nfs/dbraw/zinc/24/28/34/211242834.db2.gz XWAKNXLPMAKYBL-UHFFFAOYSA-N 0 1 385.741 4.579 50 0 GJAAMN Cc1cnn(CCCN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067723757 211019790 /nfs/dbraw/zinc/01/97/90/211019790.db2.gz AHRUNSGFDATQHQ-UHFFFAOYSA-N 0 1 397.906 4.502 50 0 GJAAMN CC(C)c1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)n[nH]1 ZINC000020998407 210372075 /nfs/dbraw/zinc/37/20/75/210372075.db2.gz HSSJIGGWBGVLMU-XMMPIXPASA-N 0 1 386.499 4.868 50 0 GJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000020889582 210367100 /nfs/dbraw/zinc/36/71/00/210367100.db2.gz CSZNOPWEPIBFPK-UHFFFAOYSA-N 0 1 375.875 4.513 50 0 GJAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2ccccc2OC)c(F)c1 ZINC000020515250 210343055 /nfs/dbraw/zinc/34/30/55/210343055.db2.gz QRQCJGLKYYSVLA-FQEVSTJZSA-N 0 1 381.451 4.570 50 0 GJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC([C@@H](O)CC(C)C)CC1 ZINC000019595149 210274148 /nfs/dbraw/zinc/27/41/48/210274148.db2.gz IVSVMPCMGVGLKP-FQEVSTJZSA-N 0 1 376.928 4.922 50 0 GJAAMN CCN(CC)[C@@H](CNC(=O)COc1cccc(C)c1C)c1ccccc1Cl ZINC000011917290 221137653 /nfs/dbraw/zinc/13/76/53/221137653.db2.gz ARPJLBRYEMWPNP-FQEVSTJZSA-N 0 1 388.939 4.535 50 0 GJAAMN C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012103930 221150931 /nfs/dbraw/zinc/15/09/31/221150931.db2.gz DJTXNEIPPHOUPB-JTQLQIEISA-N 0 1 384.427 4.600 50 0 GJAAMN C[C@H](Sc1n[nH]c(C2CCCC2)n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012103930 221150935 /nfs/dbraw/zinc/15/09/35/221150935.db2.gz DJTXNEIPPHOUPB-JTQLQIEISA-N 0 1 384.427 4.600 50 0 GJAAMN CC[C@@H](C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012854126 570266926 /nfs/dbraw/zinc/26/69/26/570266926.db2.gz YIZQYXGEGUUISS-FQEVSTJZSA-N 0 1 393.556 4.571 50 0 GJAAMN Cc1ccc(C(=O)N2CCN(C3c4ccccc4CCc4ccccc43)CC2)cc1 ZINC000023324681 570288817 /nfs/dbraw/zinc/28/88/17/570288817.db2.gz UMGCJCJXPNPRSK-UHFFFAOYSA-N 0 1 396.534 4.641 50 0 GJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c(=O)o1 ZINC000005441710 570312031 /nfs/dbraw/zinc/31/20/31/570312031.db2.gz IFTOLFFKMKSNOE-IBGZPJMESA-N 0 1 379.437 4.717 50 0 biogenic GJAAMN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)c1 ZINC000023335182 570321744 /nfs/dbraw/zinc/32/17/44/570321744.db2.gz ZPOCKIFOWIOVEF-UHFFFAOYSA-N 0 1 383.451 4.682 50 0 GJAAMN Fc1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000023989550 570376230 /nfs/dbraw/zinc/37/62/30/570376230.db2.gz NJHWPLJIOHDJMX-OAHLLOKOSA-N 0 1 394.475 4.865 50 0 GJAAMN O=S(=O)(Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000004599004 570386978 /nfs/dbraw/zinc/38/69/78/570386978.db2.gz YWEFFZOTNJNZOR-UHFFFAOYSA-N 0 1 381.078 4.557 50 0 GJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(Cc2ccco2)C3=O)cc1C ZINC000004809732 570407035 /nfs/dbraw/zinc/40/70/35/570407035.db2.gz PCKBZFHPYBOGQL-HSZRJFAPSA-N 0 1 399.450 4.738 50 0 GJAAMN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000026456159 570425987 /nfs/dbraw/zinc/42/59/87/570425987.db2.gz XOLITFQXOZHQTR-UHFFFAOYSA-N 0 1 376.641 4.745 50 0 GJAAMN CCCCNC(=O)N1CCN([C@H](c2ccc(C)cc2)c2ccccc2C)CC1 ZINC000072265280 570429598 /nfs/dbraw/zinc/42/95/98/570429598.db2.gz UULCGJVDZKQSBJ-HSZRJFAPSA-N 0 1 379.548 4.520 50 0 GJAAMN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000027664227 570439176 /nfs/dbraw/zinc/43/91/76/570439176.db2.gz QZFYQXFPMXDGGJ-OAQYLSRUSA-N 0 1 386.923 4.694 50 0 GJAAMN CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 ZINC000027742354 570441281 /nfs/dbraw/zinc/44/12/81/570441281.db2.gz WMSVMHGUVPVYHR-HXUWFJFHSA-N 0 1 386.561 4.740 50 0 GJAAMN COc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCCC2)cc1 ZINC000028287596 570454733 /nfs/dbraw/zinc/45/47/33/570454733.db2.gz PCPDLSUJTDMEAT-NRFANRHFSA-N 0 1 392.499 4.625 50 0 GJAAMN Cc1ccc2nc(CCc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)[nH]c2c1 ZINC000032960942 570531850 /nfs/dbraw/zinc/53/18/50/570531850.db2.gz XFNZBKOVSQEFKX-UHFFFAOYSA-N 0 1 399.450 4.638 50 0 GJAAMN Cc1ccc2nc(CCc3ccc(NC(=O)COc4cccc(C)c4)cc3)[nH]c2c1 ZINC000032960979 570532413 /nfs/dbraw/zinc/53/24/13/570532413.db2.gz SZFJPPMBLSXDTG-UHFFFAOYSA-N 0 1 399.494 4.982 50 0 GJAAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)CC12CC3CC(CC(C3)C1)C2 ZINC000008745695 570539842 /nfs/dbraw/zinc/53/98/42/570539842.db2.gz ZMUWEGWDOFCFBE-UHFFFAOYSA-N 0 1 380.454 4.792 50 0 GJAAMN Cc1ccc(-n2cc(CN[C@H](C)c3cnn(C)c3)c(-c3cccc(C)c3)n2)cc1 ZINC000011816672 570584289 /nfs/dbraw/zinc/58/42/89/570584289.db2.gz YRXWMSOASXJRRO-LJQANCHMSA-N 0 1 385.515 4.740 50 0 GJAAMN COc1ccc(-n2ncc([C@H](C)NCc3c[nH]nc3C3CCCCC3)c2C)cc1 ZINC000011819118 570585494 /nfs/dbraw/zinc/58/54/94/570585494.db2.gz YMHJKOGOODECIH-INIZCTEOSA-N 0 1 393.535 4.811 50 0 GJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 ZINC000005474272 570605632 /nfs/dbraw/zinc/60/56/32/570605632.db2.gz LMXDRQCYKLBQHG-LJQANCHMSA-N 0 1 392.528 4.626 50 0 GJAAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)c(OC)c1 ZINC000012207059 570625972 /nfs/dbraw/zinc/62/59/72/570625972.db2.gz UXSVRUARIPGQDL-QGZVFWFLSA-N 0 1 379.456 4.545 50 0 GJAAMN Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036343512 570627201 /nfs/dbraw/zinc/62/72/01/570627201.db2.gz VEAXRLVLQJGFDX-XMMPIXPASA-N 0 1 389.543 4.713 50 0 GJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036345925 570627970 /nfs/dbraw/zinc/62/79/70/570627970.db2.gz URNLQSQUKVMNJZ-LJQANCHMSA-N 0 1 393.531 4.874 50 0 GJAAMN Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000012246150 570630964 /nfs/dbraw/zinc/63/09/64/570630964.db2.gz JXNDIIRPBXMMDW-QGZVFWFLSA-N 0 1 379.529 4.785 50 0 GJAAMN CCOc1ccc2nc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000238899571 570646940 /nfs/dbraw/zinc/64/69/40/570646940.db2.gz GRSXKDRCOBANSZ-SIXWZSSISA-N 0 1 390.549 5.058 50 0 GJAAMN CCOc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC ZINC000012474217 570673324 /nfs/dbraw/zinc/67/33/24/570673324.db2.gz RVPSMWQNQIJFME-OAHLLOKOSA-N 0 1 383.467 4.578 50 0 GJAAMN c1cc(CN(Cc2cccc(Oc3ncccn3)c2)C[C@H]2CCCO2)cs1 ZINC000055133856 570684726 /nfs/dbraw/zinc/68/47/26/570684726.db2.gz SMUWVLLSMLXXJI-HXUWFJFHSA-N 0 1 381.501 4.512 50 0 GJAAMN CC1CCN([C@@H](CNC(=O)c2cc(Cl)ccc2F)c2cccs2)CC1 ZINC000013008842 570741503 /nfs/dbraw/zinc/74/15/03/570741503.db2.gz CSXAHNCNDUOHJF-KRWDZBQOSA-N 0 1 380.916 4.744 50 0 GJAAMN Cc1sc2[nH]c([C@H](C)Sc3nc4ccc(Cl)cc4[nH]3)nc(=O)c2c1C ZINC000004406886 570741635 /nfs/dbraw/zinc/74/16/35/570741635.db2.gz ANEIVCGFTILYTE-VIFPVBQESA-N 0 1 390.921 4.984 50 0 GJAAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)[nH]c2c1 ZINC000012546495 570847812 /nfs/dbraw/zinc/84/78/12/570847812.db2.gz LTQRZQUGPQRVSE-SECBINFHSA-N 0 1 381.288 4.692 50 0 GJAAMN CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000032869477 570864312 /nfs/dbraw/zinc/86/43/12/570864312.db2.gz CKOVWMLOCGAHKC-UHFFFAOYSA-N 0 1 391.559 4.545 50 0 GJAAMN 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Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cnn(-c3ccccc3)c2)c1C ZINC000015078276 570878893 /nfs/dbraw/zinc/87/88/93/570878893.db2.gz MWXKKBRWAUGJIZ-QHCPKHFHSA-N 0 1 397.526 4.842 50 0 GJAAMN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[N@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000023157150 570920400 /nfs/dbraw/zinc/92/04/00/570920400.db2.gz PWSSKSYDSPYWTM-KSSFIOAISA-N 0 1 384.549 4.750 50 0 GJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012682763 570948902 /nfs/dbraw/zinc/94/89/02/570948902.db2.gz NDZUGOXLYJEPGN-OXJNMPFZSA-N 0 1 390.483 4.656 50 0 GJAAMN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccc4cccnc43)cc21 ZINC000004735773 570950339 /nfs/dbraw/zinc/95/03/39/570950339.db2.gz XNWFQQPDXKIXJB-UHFFFAOYSA-N 0 1 394.452 4.601 50 0 GJAAMN CCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019359476 570979727 /nfs/dbraw/zinc/97/97/27/570979727.db2.gz ZRDZCCGNBAXPPX-UHFFFAOYSA-N 0 1 386.539 4.993 50 0 GJAAMN CCc1ccc2c(CN3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2c1 ZINC000007739825 571029358 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COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2c1 ZINC000012773055 210006729 /nfs/dbraw/zinc/00/67/29/210006729.db2.gz REJRNNQVOKPXOR-SFHVURJKSA-N 0 1 376.500 4.924 50 0 GJAAMN Cc1ccc2nsnc2c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000002873705 209394366 /nfs/dbraw/zinc/39/43/66/209394366.db2.gz IETJYUQURXUTLX-UHFFFAOYSA-N 0 1 387.530 4.848 50 0 GJAAMN COc1ccc(Cc2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000001045988 209292882 /nfs/dbraw/zinc/29/28/82/209292882.db2.gz MTDFFUNCIAWNOM-UHFFFAOYSA-N 0 1 395.406 4.557 50 0 GJAAMN c1coc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000000949662 209282645 /nfs/dbraw/zinc/28/26/45/209282645.db2.gz OJRRKHCYTNMAJL-JOCHJYFZSA-N 0 1 399.494 4.815 50 0 GJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(Cc2ccco2)C3=O)cc1C ZINC000004809733 204076951 /nfs/dbraw/zinc/07/69/51/204076951.db2.gz PCKBZFHPYBOGQL-QHCPKHFHSA-N 0 1 399.450 4.738 50 0 GJAAMN COc1cc(CNCc2cccnc2)ccc1OCc1c(F)cccc1Cl ZINC000004413613 204044379 /nfs/dbraw/zinc/04/43/79/204044379.db2.gz TZLIJAUNGIODBZ-UHFFFAOYSA-N 0 1 386.854 4.752 50 0 GJAAMN CCN1CCC[C@H]1CNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961555 204097326 /nfs/dbraw/zinc/09/73/26/204097326.db2.gz PUAZNROLKJHOOW-ZDUSSCGKSA-N 0 1 387.936 4.625 50 0 GJAAMN Cc1cc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000005051500 204107215 /nfs/dbraw/zinc/10/72/15/204107215.db2.gz FOEFASGZMVNQQG-UHFFFAOYSA-N 0 1 394.496 4.665 50 0 GJAAMN CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)ccc1O ZINC000005438168 204131500 /nfs/dbraw/zinc/13/15/00/204131500.db2.gz RVXDQELNFFGFNG-IGKWTDBASA-N 0 1 399.506 4.798 50 0 GJAAMN Fc1ccccc1-c1n[nH]c(SCc2ccc(Br)cc2F)n1 ZINC000006581928 204185023 /nfs/dbraw/zinc/18/50/23/204185023.db2.gz QXMURJPBTGZCQK-UHFFFAOYSA-N 0 1 382.233 4.805 50 0 GJAAMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000007718369 204247751 /nfs/dbraw/zinc/24/77/51/204247751.db2.gz GQWAVFJNMMCYBO-NRFANRHFSA-N 0 1 393.483 4.764 50 0 GJAAMN CCOc1ccc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000007738367 204249329 /nfs/dbraw/zinc/24/93/29/204249329.db2.gz SNMFKEDXOGQYHY-UHFFFAOYSA-N 0 1 386.864 4.957 50 0 GJAAMN COc1ccc(OC)c([C@H](C)NCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000008395487 204275155 /nfs/dbraw/zinc/27/51/55/204275155.db2.gz WHUOJLXXQKDQLJ-KRWDZBQOSA-N 0 1 387.483 4.894 50 0 GJAAMN C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1cccc2ccccc21 ZINC000008528171 204279473 /nfs/dbraw/zinc/27/94/73/204279473.db2.gz PXNOKTCCHCQJJV-ZDUSSCGKSA-N 0 1 394.525 4.656 50 0 GJAAMN Cc1nc2sc([C@@H](c3ccccc3Cl)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036066087 204304592 /nfs/dbraw/zinc/30/45/92/204304592.db2.gz DMOMWXGJLHUGAR-BFQNTYOBSA-N 0 1 390.940 4.526 50 0 GJAAMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000011817824 204354334 /nfs/dbraw/zinc/35/43/34/204354334.db2.gz LDERBDBWEOYRNR-UHFFFAOYSA-N 0 1 388.467 4.657 50 0 GJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3c[nH]nc3C3CCCCC3)c2C)cc1 ZINC000011819117 204354837 /nfs/dbraw/zinc/35/48/37/204354837.db2.gz YMHJKOGOODECIH-MRXNPFEDSA-N 0 1 393.535 4.811 50 0 GJAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@H]1CO ZINC000011948552 204365047 /nfs/dbraw/zinc/36/50/47/204365047.db2.gz ZTFPGSSIUBRTAC-IBGZPJMESA-N 0 1 378.472 4.789 50 0 GJAAMN Cc1cc(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)n[nH]1 ZINC000012316606 204394697 /nfs/dbraw/zinc/39/46/97/204394697.db2.gz WXTUAQJNHYPGHU-UHFFFAOYSA-N 0 1 389.478 4.650 50 0 GJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)CC ZINC000036308535 205010665 /nfs/dbraw/zinc/01/06/65/205010665.db2.gz DQZVDQUNUKTDMW-NRFANRHFSA-N 0 1 393.531 4.956 50 0 GJAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000072265272 205030273 /nfs/dbraw/zinc/03/02/73/205030273.db2.gz MEPXYEIDZPXDBP-VWLOTQADSA-N 0 1 384.523 4.851 50 0 GJAAMN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(C)cc2C)cc1 ZINC000046056470 205102726 /nfs/dbraw/zinc/10/27/26/205102726.db2.gz BCCWXZOSCJLORQ-FQEVSTJZSA-N 0 1 387.483 4.669 50 0 GJAAMN Cc1cccc2nc(CN(C)C(=O)c3cccc(NCc4cccs4)c3)[nH]c21 ZINC000055386763 205148491 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/nfs/dbraw/zinc/03/25/75/222032575.db2.gz RZDNBADHITZMQN-UHFFFAOYSA-N 0 1 381.741 4.881 50 0 GJAAMN CCc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845386 222085022 /nfs/dbraw/zinc/08/50/22/222085022.db2.gz MHGTTWSFCKZOEC-UHFFFAOYSA-N 0 1 376.503 4.692 50 0 GJAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H](CO)C1 ZINC000071748072 222190251 /nfs/dbraw/zinc/19/02/51/222190251.db2.gz YRAXWKVFTDGSSP-SFHVURJKSA-N 0 1 378.472 4.647 50 0 GJAAMN Cc1ccc2nc(C3CN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)C3)[nH]c2c1 ZINC000077099559 222272726 /nfs/dbraw/zinc/27/27/26/222272726.db2.gz SIBDWXPBBGUMOJ-UHFFFAOYSA-N 0 1 393.918 4.963 50 0 GJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2cccc(F)c2)[nH]n1 ZINC000096400282 222420932 /nfs/dbraw/zinc/42/09/32/222420932.db2.gz BOLGCNZSSGGACZ-UHFFFAOYSA-N 0 1 376.435 4.680 50 0 GJAAMN CN1CCN([C@H]2Cc3ccc(F)cc3Sc3cc(F)c(Cl)cc32)CC1 ZINC000019802394 570220698 /nfs/dbraw/zinc/22/06/98/570220698.db2.gz FAPGOSVHYQLFEO-KRWDZBQOSA-N 0 1 380.891 4.614 50 0 GJAAMN O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1 ZINC000019831772 570223400 /nfs/dbraw/zinc/22/34/00/570223400.db2.gz QQQRRUQDJOHBQB-UHFFFAOYSA-N 0 1 398.550 4.596 50 0 GJAAMN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034682630 570300730 /nfs/dbraw/zinc/30/07/30/570300730.db2.gz IPLCKDCSOUSMEO-UHFFFAOYSA-N 0 1 378.447 4.730 50 0 GJAAMN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683478 570300983 /nfs/dbraw/zinc/30/09/83/570300983.db2.gz XARCLEUVVDKTJL-UHFFFAOYSA-N 0 1 390.483 4.600 50 0 GJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c(=O)o1 ZINC000005441853 570311902 /nfs/dbraw/zinc/31/19/02/570311902.db2.gz IFTOLFFKMKSNOE-LJQANCHMSA-N 0 1 379.437 4.717 50 0 biogenic GJAAMN Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000023337973 570321264 /nfs/dbraw/zinc/32/12/64/570321264.db2.gz GSHWKFCARNBVLE-FQEVSTJZSA-N 0 1 397.526 4.632 50 0 GJAAMN COc1cccc(C(=O)Nc2c(CC(C)C)n[nH]c2-c2cccc(OC)c2)c1 ZINC000034796199 570337737 /nfs/dbraw/zinc/33/77/37/570337737.db2.gz HPXIFHYXPFTCRJ-UHFFFAOYSA-N 0 1 379.460 4.545 50 0 GJAAMN C[C@H]([NH2+]CCc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023425461 570361986 /nfs/dbraw/zinc/36/19/86/570361986.db2.gz BQLUYZDFNLHKGF-HNNXBMFYSA-N 0 1 375.497 4.545 50 0 GJAAMN Cc1nc2ccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cc2[nH]1 ZINC000024833303 570394987 /nfs/dbraw/zinc/39/49/87/570394987.db2.gz CKLPLPQPENEIOI-UHFFFAOYSA-N 0 1 384.798 4.880 50 0 GJAAMN Cc1ccc(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000004808072 570406718 /nfs/dbraw/zinc/40/67/18/570406718.db2.gz IITHDBNSDXCEAQ-UHFFFAOYSA-N 0 1 386.403 4.736 50 0 biogenic GJAAMN O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012986796 570407142 /nfs/dbraw/zinc/40/71/42/570407142.db2.gz OLMSESKSQZLYJA-UHFFFAOYSA-N 0 1 392.440 4.588 50 0 GJAAMN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1CCCCC1 ZINC000004828423 570409181 /nfs/dbraw/zinc/40/91/81/570409181.db2.gz ZZSZPLRHPLEWMO-VWLOTQADSA-N 0 1 376.544 4.994 50 0 GJAAMN COc1ccc(-c2c(-c3ccc(OC)c(C)c3O)[nH]nc2C(F)(F)F)cc1 ZINC000004844646 570411361 /nfs/dbraw/zinc/41/13/61/570411361.db2.gz BJEKZQCEUOWSCS-UHFFFAOYSA-N 0 1 378.350 4.794 50 0 GJAAMN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004875820 570414753 /nfs/dbraw/zinc/41/47/53/570414753.db2.gz HZZXOJYSKHROPZ-JOCHJYFZSA-N 0 1 386.536 4.702 50 0 GJAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1 ZINC000005115384 570419786 /nfs/dbraw/zinc/41/97/86/570419786.db2.gz SYGUQTIVVWFFJN-CSKARUKUSA-N 0 1 385.558 4.528 50 0 GJAAMN Cc1cc2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc2c(C)c1 ZINC000005121605 570421417 /nfs/dbraw/zinc/42/14/17/570421417.db2.gz QKBOBYKFDMNBCU-BQYQJAHWSA-N 0 1 385.558 4.583 50 0 GJAAMN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000054001739 570437317 /nfs/dbraw/zinc/43/73/17/570437317.db2.gz SUKLFPGZTGZSPV-UHFFFAOYSA-N 0 1 375.875 4.574 50 0 GJAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000005457771 570440359 /nfs/dbraw/zinc/44/03/59/570440359.db2.gz IAEZPWNNLPZPOF-UHFFFAOYSA-N 0 1 396.299 4.999 50 0 GJAAMN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000252452470 570448730 /nfs/dbraw/zinc/44/87/30/570448730.db2.gz KKRIOVOSYHKGRB-UHFFFAOYSA-N 0 1 376.294 4.715 50 0 GJAAMN Cc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)c(C)s1 ZINC000064450232 570464426 /nfs/dbraw/zinc/46/44/26/570464426.db2.gz MVUXFGNIOKAWEC-QGZVFWFLSA-N 0 1 393.512 4.785 50 0 GJAAMN COc1ccc2nc(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)[nH]c2c1 ZINC000006586692 570484328 /nfs/dbraw/zinc/48/43/28/570484328.db2.gz MJCAKEYEOKLQON-UHFFFAOYSA-N 0 1 397.422 4.527 50 0 GJAAMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C(C)C ZINC000006700646 570488602 /nfs/dbraw/zinc/48/86/02/570488602.db2.gz VWNFDSKKLZXALR-UHFFFAOYSA-N 0 1 383.897 4.672 50 0 GJAAMN Cc1cc(C)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c(O)c1 ZINC000005201276 570504221 /nfs/dbraw/zinc/50/42/21/570504221.db2.gz OJLBODUZIYVHPJ-UHFFFAOYSA-N 0 1 375.350 4.670 50 0 GJAAMN Cc1ccccc1OC[C@@H](O)CN(Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031405 570517867 /nfs/dbraw/zinc/51/78/67/570517867.db2.gz DLNXJXJBTZVYHY-NRFANRHFSA-N 0 1 385.504 4.638 50 0 GJAAMN COc1ccc(OC)c([C@H]2CC(=Nc3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000005066559 570541125 /nfs/dbraw/zinc/54/11/25/570541125.db2.gz WDXJLDANNRZOME-JOCHJYFZSA-N 0 1 386.451 4.788 50 0 GJAAMN CC(C)CC(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000005284493 570549724 /nfs/dbraw/zinc/54/97/24/570549724.db2.gz FJFILOSXSOABGI-UHFFFAOYSA-N 0 1 376.728 4.735 50 0 GJAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)n2)cc1 ZINC000005318631 570552898 /nfs/dbraw/zinc/55/28/98/570552898.db2.gz WZCQSNKJRUIPTC-CYBMUJFWSA-N 0 1 377.473 4.937 50 0 GJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(CC)cc1 ZINC000006752984 570571810 /nfs/dbraw/zinc/57/18/10/570571810.db2.gz ROWZOLYLKCJFJL-QFIPXVFZSA-N 0 1 375.472 4.690 50 0 GJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)cc1 ZINC000006752974 570571907 /nfs/dbraw/zinc/57/19/07/570571907.db2.gz NBEVBCAMEKMDKE-QFIPXVFZSA-N 0 1 391.471 4.526 50 0 GJAAMN Cc1c([C@@H](C)NCc2c[nH]nc2-c2ccccc2)cnn1-c1cccc(F)c1 ZINC000011663356 570577988 /nfs/dbraw/zinc/57/79/88/570577988.db2.gz ADJDOZVSFPWUER-OAHLLOKOSA-N 0 1 375.451 4.561 50 0 GJAAMN CCCn1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c(C)n1 ZINC000039364601 570590031 /nfs/dbraw/zinc/59/00/31/570590031.db2.gz CZEYBPGWQTZTHP-OAQYLSRUSA-N 0 1 395.526 4.730 50 0 GJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](C)O ZINC000036308543 570605293 /nfs/dbraw/zinc/60/52/93/570605293.db2.gz VQASLUTXVAQBJZ-GOSISDBHSA-N 0 1 379.504 4.566 50 0 GJAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(C)c2)c(OC)c1 ZINC000036348389 570629765 /nfs/dbraw/zinc/62/97/65/570629765.db2.gz ZAUDIPLFZKXWOA-XMMPIXPASA-N 0 1 376.500 4.809 50 0 GJAAMN CCOc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2OC)cc1 ZINC000036347706 570630435 /nfs/dbraw/zinc/63/04/35/570630435.db2.gz NHZWFECQLUYONS-DEOSSOPVSA-N 0 1 376.500 4.891 50 0 GJAAMN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(C)c2)c1OC ZINC000036347962 570630449 /nfs/dbraw/zinc/63/04/49/570630449.db2.gz RDURDTKLUIYJID-HSZRJFAPSA-N 0 1 376.500 4.809 50 0 GJAAMN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1 ZINC000004927734 570649197 /nfs/dbraw/zinc/64/91/97/570649197.db2.gz OWNVDJHJSZMPAR-UHFFFAOYSA-N 0 1 392.509 4.931 50 0 GJAAMN CC(C)c1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 ZINC000012433606 570661199 /nfs/dbraw/zinc/66/11/99/570661199.db2.gz AJNDVDDHLSLTTB-HNNXBMFYSA-N 0 1 379.426 4.647 50 0 GJAAMN Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000054114358 570676367 /nfs/dbraw/zinc/67/63/67/570676367.db2.gz RZMUKHRIQCNNCT-RUZDIDTESA-N 0 1 382.511 4.783 50 0 GJAAMN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055243418 570688936 /nfs/dbraw/zinc/68/89/36/570688936.db2.gz KYWNUPQZAQQQJD-MRXNPFEDSA-N 0 1 383.492 4.681 50 0 GJAAMN COc1ccc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1OC ZINC000012706605 570700442 /nfs/dbraw/zinc/70/04/42/570700442.db2.gz QVDGTXQIVVFRNN-NRFANRHFSA-N 0 1 391.515 4.674 50 0 GJAAMN COc1ccc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1OC ZINC000012706599 570700594 /nfs/dbraw/zinc/70/05/94/570700594.db2.gz QVDGTXQIVVFRNN-OAQYLSRUSA-N 0 1 391.515 4.674 50 0 GJAAMN O=c1[nH]c(=S)nc2[nH]c3c(c(-c4cccs4)c1-2)-c1ccccc1CCC3 ZINC000006927926 570708518 /nfs/dbraw/zinc/70/85/18/570708518.db2.gz OCMNWMLWTBSEPO-UHFFFAOYSA-N 0 1 377.494 4.865 50 0 GJAAMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000164324006 570728067 /nfs/dbraw/zinc/72/80/67/570728067.db2.gz FWWZPZCABHQSMP-INIZCTEOSA-N 0 1 399.487 4.872 50 0 GJAAMN CCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc32)cc1 ZINC000000952836 570737481 /nfs/dbraw/zinc/73/74/81/570737481.db2.gz KRORMWKLYRGBQD-UHFFFAOYSA-N 0 1 378.428 4.640 50 0 GJAAMN CC1CCN([C@H](CNC(=O)c2cc(Cl)ccc2F)c2cccs2)CC1 ZINC000013008844 570741509 /nfs/dbraw/zinc/74/15/09/570741509.db2.gz CSXAHNCNDUOHJF-QGZVFWFLSA-N 0 1 380.916 4.744 50 0 GJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000013039932 570743285 /nfs/dbraw/zinc/74/32/85/570743285.db2.gz SIDIIUSTTNNMDU-INIZCTEOSA-N 0 1 392.886 4.860 50 0 GJAAMN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cnc(C)s4)C3)ccc2c1 ZINC000013593281 570761155 /nfs/dbraw/zinc/76/11/55/570761155.db2.gz KQFDPMQZRUTXPA-IBGZPJMESA-N 0 1 380.513 4.708 50 0 GJAAMN CCc1ccccc1-c1cc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)ccn1 ZINC000065463443 570769422 /nfs/dbraw/zinc/76/94/22/570769422.db2.gz BVPXUXNURNIQIJ-QFIPXVFZSA-N 0 1 386.495 4.999 50 0 GJAAMN CN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1cccc2ncccc12 ZINC000067540564 570781072 /nfs/dbraw/zinc/78/10/72/570781072.db2.gz GNOOPDPOJVXQHL-UHFFFAOYSA-N 0 1 379.467 4.577 50 0 GJAAMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1 ZINC000067771795 570790518 /nfs/dbraw/zinc/79/05/18/570790518.db2.gz PRPSJDGOYMLLBX-UHFFFAOYSA-N 0 1 378.476 4.516 50 0 GJAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219465262 570792699 /nfs/dbraw/zinc/79/26/99/570792699.db2.gz JJZZFVVAMQYJDK-MRXNPFEDSA-N 0 1 375.544 4.520 50 0 GJAAMN Clc1ccc2nc(Cn3cnc(-c4ccccc4)c3[C@@H]3CCOC3)[nH]c2c1 ZINC000067909035 570796666 /nfs/dbraw/zinc/79/66/66/570796666.db2.gz JAWMHFSKGWVZSV-OAHLLOKOSA-N 0 1 378.863 4.632 50 0 GJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N(c1ccccc1)C1CCCCC1 ZINC000006035341 570815732 /nfs/dbraw/zinc/81/57/32/570815732.db2.gz ZNZUZIRQEHCHLP-UHFFFAOYSA-N 0 1 398.557 4.991 50 0 GJAAMN CCc1nc2ccc(CCC(=O)Nc3cccc(OC(F)(F)F)c3)cc2[nH]1 ZINC000033169584 570838199 /nfs/dbraw/zinc/83/81/99/570838199.db2.gz KJWXGWNZALELFF-UHFFFAOYSA-N 0 1 377.366 4.595 50 0 GJAAMN CCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012541086 570841006 /nfs/dbraw/zinc/84/10/06/570841006.db2.gz HILMIZNIBDAARP-GOSISDBHSA-N 0 1 375.394 4.978 50 0 GJAAMN Clc1c(CN2CCCC2)cccc1OCc1nc(-c2cccs2)no1 ZINC000072161986 570875873 /nfs/dbraw/zinc/87/58/73/570875873.db2.gz YPPRRPUFAXETGA-UHFFFAOYSA-N 0 1 375.881 4.626 50 0 GJAAMN CCOc1ccc([C@@H]2CCCN2[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000103945939 570890771 /nfs/dbraw/zinc/89/07/71/570890771.db2.gz QWVJZHKGDWWDDA-YVHKJVDXSA-N 0 1 384.495 4.627 50 0 GJAAMN CCS[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(Br)c2)o1 ZINC000097165590 570901547 /nfs/dbraw/zinc/90/15/47/570901547.db2.gz VUTCRULRLWUIAP-LSDHHAIUSA-N 0 1 396.354 4.653 50 0 GJAAMN COc1cccc(-c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)[nH]n2)c1 ZINC000046914092 570936514 /nfs/dbraw/zinc/93/65/14/570936514.db2.gz ZJJJBIIAMVZGQU-UHFFFAOYSA-N 0 1 386.333 4.821 50 0 GJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000005441836 570947343 /nfs/dbraw/zinc/94/73/43/570947343.db2.gz FJUCQYUXJZEVIC-LJQANCHMSA-N 0 1 379.437 4.717 50 0 biogenic GJAAMN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccccc1 ZINC000033299300 570963959 /nfs/dbraw/zinc/96/39/59/570963959.db2.gz YULBUSZCFONTGM-UHFFFAOYSA-N 0 1 388.392 4.531 50 0 GJAAMN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837406 570978817 /nfs/dbraw/zinc/97/88/17/570978817.db2.gz XPBJGISYNGRPOK-UHFFFAOYSA-N 0 1 376.641 4.745 50 0 GJAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)s1 ZINC000046056874 571017249 /nfs/dbraw/zinc/01/72/49/571017249.db2.gz DITCQMPIMYUAPN-QGZVFWFLSA-N 0 1 393.512 4.730 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)s1 ZINC000046056874 571017255 /nfs/dbraw/zinc/01/72/55/571017255.db2.gz DITCQMPIMYUAPN-QGZVFWFLSA-N 0 1 393.512 4.730 50 0 GJAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)s1 ZINC000046057437 571017826 /nfs/dbraw/zinc/01/78/26/571017826.db2.gz ZMSOKZDBIYLNQT-QGZVFWFLSA-N 0 1 393.512 4.676 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)s1 ZINC000046057437 571017828 /nfs/dbraw/zinc/01/78/28/571017828.db2.gz ZMSOKZDBIYLNQT-QGZVFWFLSA-N 0 1 393.512 4.676 50 0 GJAAMN Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000091746859 571029415 /nfs/dbraw/zinc/02/94/15/571029415.db2.gz VVRRWXPKZCXLMQ-FQEVSTJZSA-N 0 1 390.462 4.706 50 0 GJAAMN COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 ZINC000007740801 571030404 /nfs/dbraw/zinc/03/04/04/571030404.db2.gz NTLMGFMWYHPHCF-NRFANRHFSA-N 0 1 393.483 4.764 50 0 GJAAMN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000037570646 571032542 /nfs/dbraw/zinc/03/25/42/571032542.db2.gz RATNRTKGUKXJBJ-UHFFFAOYSA-N 0 1 398.522 4.940 50 0 GJAAMN CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000000803526 212181990 /nfs/dbraw/zinc/18/19/90/212181990.db2.gz PQXJTUXHWHJQBX-UHFFFAOYSA-N 0 1 385.920 4.559 50 0 GJAAMN CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O ZINC000035240459 212110739 /nfs/dbraw/zinc/11/07/39/212110739.db2.gz XRGOYFXJBCQDQR-JXAWBTAJSA-N 0 1 376.522 4.591 50 0 GJAAMN O=S(=O)(Nc1ccc(Br)cn1)c1ccc(C2CCCCC2)cc1 ZINC000004148165 206504917 /nfs/dbraw/zinc/50/49/17/206504917.db2.gz XPEZSZOSSXAQCP-UHFFFAOYSA-N 0 1 395.322 4.693 50 0 GJAAMN Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Cl)c1Cl ZINC000004678554 206542111 /nfs/dbraw/zinc/54/21/11/206542111.db2.gz DHQRUUFPLNBBNT-UHFFFAOYSA-N 0 1 376.243 4.735 50 0 GJAAMN Cc1ccc(-n2cc(CN[C@@H](C)c3cnn(C)c3)c(-c3cccc(C)c3)n2)cc1 ZINC000011816673 206834109 /nfs/dbraw/zinc/83/41/09/206834109.db2.gz YRXWMSOASXJRRO-IBGZPJMESA-N 0 1 385.515 4.740 50 0 GJAAMN COc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1O ZINC000014976788 207036509 /nfs/dbraw/zinc/03/65/09/207036509.db2.gz BISQMHVHMLAKJO-MRXNPFEDSA-N 0 1 387.483 4.899 50 0 GJAAMN CCCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000015942313 207068856 /nfs/dbraw/zinc/06/88/56/207068856.db2.gz PATRGQJCCXOKSK-LOSJGSFVSA-N 0 1 397.559 4.579 50 0 GJAAMN CN(C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1cccs1 ZINC000017796005 207090442 /nfs/dbraw/zinc/09/04/42/207090442.db2.gz QZKRMMJZKRCOCQ-QGZVFWFLSA-N 0 1 382.554 4.608 50 0 GJAAMN C[C@@H](c1cc(Br)ccc1Sc1ccccc1)N1CCN(C)CC1 ZINC000019802498 207163606 /nfs/dbraw/zinc/16/36/06/207163606.db2.gz VEDFCEIQOILFRA-HNNXBMFYSA-N 0 1 391.378 4.909 50 0 GJAAMN Cc1cccc(C)c1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000021174817 207228214 /nfs/dbraw/zinc/22/82/14/207228214.db2.gz SKHIJXVEULPKEQ-UHFFFAOYSA-N 0 1 385.939 4.991 50 0 GJAAMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000021796115 207238332 /nfs/dbraw/zinc/23/83/32/207238332.db2.gz QTCZIIMWGLGSEB-VXGBXAGGSA-N 0 1 386.801 4.916 50 0 GJAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000033306707 207452103 /nfs/dbraw/zinc/45/21/03/207452103.db2.gz XSZINQIAKPHDCQ-UHFFFAOYSA-N 0 1 399.900 4.657 50 0 GJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c(C)n2C)n1 ZINC000064668197 207804917 /nfs/dbraw/zinc/80/49/17/207804917.db2.gz ZEMMYKIFCILMCY-UHFFFAOYSA-N 0 1 395.937 4.528 50 0 GJAAMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)cc3F)CC2)c1 ZINC000077425127 208044041 /nfs/dbraw/zinc/04/40/41/208044041.db2.gz ZSGQQOZBXYCRPZ-UHFFFAOYSA-N 0 1 377.463 4.852 50 0 GJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)COCc2ccccc2)[nH]n1 ZINC000096400262 208315558 /nfs/dbraw/zinc/31/55/58/208315558.db2.gz CPYKFYYUOFQWOP-UHFFFAOYSA-N 0 1 388.471 4.515 50 0 GJAAMN CCn1c(-c2cc(NC(=O)Cc3ccccc3Cl)[nH]n2)cc2ccccc21 ZINC000096400254 208317180 /nfs/dbraw/zinc/31/71/80/208317180.db2.gz RIUAFWVXONPEOF-UHFFFAOYSA-N 0 1 378.863 4.886 50 0 GJAAMN Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000004033737 220673824 /nfs/dbraw/zinc/67/38/24/220673824.db2.gz DRLLZVBXNDOCNN-SFHVURJKSA-N 0 1 386.883 4.547 50 0 GJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007775863 221010302 /nfs/dbraw/zinc/01/03/02/221010302.db2.gz GCDKBCDZVNUGEO-INIZCTEOSA-N 0 1 388.496 4.706 50 0 GJAAMN Cc1cccc(-c2n[nH]c(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)n2)c1 ZINC000008617291 221047879 /nfs/dbraw/zinc/04/78/79/221047879.db2.gz YAONIJWDWSGNML-UHFFFAOYSA-N 0 1 376.485 4.531 50 0 aggregator GJAAMN CCCc1n[nH]c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000008705985 221050284 /nfs/dbraw/zinc/05/02/84/221050284.db2.gz DDCYULLTKHXKBS-IBGZPJMESA-N 0 1 380.517 4.846 50 0 GJAAMN CCCc1nc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n[nH]1 ZINC000008705985 221050286 /nfs/dbraw/zinc/05/02/86/221050286.db2.gz DDCYULLTKHXKBS-IBGZPJMESA-N 0 1 380.517 4.846 50 0 GJAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009453016 221081724 /nfs/dbraw/zinc/08/17/24/221081724.db2.gz UBPPLUFTQVOFOT-QMMMGPOBSA-N 0 1 399.328 4.959 50 0 GJAAMN CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000011661009 221118558 /nfs/dbraw/zinc/11/85/58/221118558.db2.gz NQKJJRGKVFUPAO-SFHVURJKSA-N 0 1 382.479 4.659 50 0 GJAAMN COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1OC ZINC000012049466 221144420 /nfs/dbraw/zinc/14/44/20/221144420.db2.gz NKQHOMVFEXOFCG-HXUWFJFHSA-N 0 1 397.515 4.586 50 0 GJAAMN Cc1ccc([C@@H](C)CCN2CCOc3c(O)cc(-c4ccccn4)cc3C2)o1 ZINC000012048255 221144860 /nfs/dbraw/zinc/14/48/60/221144860.db2.gz UMPFJHLGVMDGDA-INIZCTEOSA-N 0 1 378.472 4.744 50 0 GJAAMN COc1ccc(F)c(CN2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)c1 ZINC000011911982 221136426 /nfs/dbraw/zinc/13/64/26/221136426.db2.gz OIZXDGOWNKGQCB-UHFFFAOYSA-N 0 1 379.479 4.912 50 0 GJAAMN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCN(C)CC1 ZINC000012638068 221217011 /nfs/dbraw/zinc/21/70/11/221217011.db2.gz UWTARHIKSPLSPB-UHFFFAOYSA-N 0 1 399.538 4.517 50 0 GJAAMN Cc1c([C@H](C)NCc2cccn2-c2ccc(Cl)cn2)cnn1-c1ccccc1 ZINC000012589371 221211800 /nfs/dbraw/zinc/21/18/00/221211800.db2.gz BXIJSNBDIVECNO-INIZCTEOSA-N 0 1 391.906 4.871 50 0 GJAAMN CC(C)c1n[nH]c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000014016952 221296133 /nfs/dbraw/zinc/29/61/33/221296133.db2.gz WKIAQKNJXFYVSA-NXEZZACHSA-N 0 1 387.336 4.593 50 0 GJAAMN CC(C)c1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000014016952 221296135 /nfs/dbraw/zinc/29/61/35/221296135.db2.gz WKIAQKNJXFYVSA-NXEZZACHSA-N 0 1 387.336 4.593 50 0 GJAAMN CC(C)c1n[nH]c(SCc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000014085977 221298301 /nfs/dbraw/zinc/29/83/01/221298301.db2.gz SIDKDYSIKXHSAQ-UHFFFAOYSA-N 0 1 380.926 4.909 50 0 GJAAMN CC(C)c1nc(SCc2csc(COc3ccc(Cl)cc3)n2)n[nH]1 ZINC000014085977 221298303 /nfs/dbraw/zinc/29/83/03/221298303.db2.gz SIDKDYSIKXHSAQ-UHFFFAOYSA-N 0 1 380.926 4.909 50 0 GJAAMN N[C@@H](Sc1nc(=O)n(-c2ccccc2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840405 221348104 /nfs/dbraw/zinc/34/81/04/221348104.db2.gz LNZDKJBOVZVEFF-QFIPXVFZSA-N 0 1 399.519 4.624 50 0 GJAAMN Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCC(C)CC2)o1 ZINC000015860334 221349230 /nfs/dbraw/zinc/34/92/30/221349230.db2.gz BRQQKLZYMKYMAJ-PJVWNMJMSA-N 0 1 384.564 4.694 50 0 GJAAMN Fc1cc(CN2CCC(c3nc4ccccc4s3)CC2)c2c(c1)COCO2 ZINC000016699062 221368825 /nfs/dbraw/zinc/36/88/25/221368825.db2.gz ILWRPJJCHNGOSR-UHFFFAOYSA-N 0 1 384.476 4.682 50 0 GJAAMN Cc1cc(NC(=O)[C@H](Sc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)no1 ZINC000016812806 221371986 /nfs/dbraw/zinc/37/19/86/221371986.db2.gz GYDQPVKCTPVQBU-QGZVFWFLSA-N 0 1 398.875 4.985 50 0 GJAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056747 221970247 /nfs/dbraw/zinc/97/02/47/221970247.db2.gz QFBQLYDYOWAPIX-SFHVURJKSA-N 0 1 393.874 4.760 50 0 GJAAMN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1cccc2ccccc21 ZINC000063809317 222067325 /nfs/dbraw/zinc/06/73/25/222067325.db2.gz KLWPDFXRHQNXEJ-LBPRGKRZSA-N 0 1 375.453 4.642 50 0 GJAAMN O=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067675553 222154793 /nfs/dbraw/zinc/15/47/93/222154793.db2.gz RTPWOBUUDUPKBR-UHFFFAOYSA-N 0 1 388.446 4.717 50 0 GJAAMN CCCc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cs1 ZINC000067908044 222167933 /nfs/dbraw/zinc/16/79/33/222167933.db2.gz YGUPXQFGDYCZJH-MRXNPFEDSA-N 0 1 380.517 4.506 50 0 GJAAMN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000071422371 222185625 /nfs/dbraw/zinc/18/56/25/222185625.db2.gz XHCTWYPJVGSJFK-GOSISDBHSA-N 0 1 389.499 4.576 50 0 GJAAMN Cc1ccc2nc(C3CN(C(=O)Cc4ccc(SC(C)C)cc4)C3)[nH]c2c1 ZINC000077099563 222272374 /nfs/dbraw/zinc/27/23/74/222272374.db2.gz ABRXOWAYKPZCRO-UHFFFAOYSA-N 0 1 379.529 4.540 50 0 GJAAMN CN1CCN([C@@H]2Cc3ccc(F)cc3Sc3cc(F)c(Cl)cc32)CC1 ZINC000019802393 570220865 /nfs/dbraw/zinc/22/08/65/570220865.db2.gz FAPGOSVHYQLFEO-QGZVFWFLSA-N 0 1 380.891 4.614 50 0 GJAAMN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170944 570244164 /nfs/dbraw/zinc/24/41/64/570244164.db2.gz VRCZPQMIJUQRQY-MRXNPFEDSA-N 0 1 393.512 4.730 50 0 GJAAMN CCc1ccc(C(=O)C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170944 570244166 /nfs/dbraw/zinc/24/41/66/570244166.db2.gz VRCZPQMIJUQRQY-MRXNPFEDSA-N 0 1 393.512 4.730 50 0 GJAAMN O=C(NC[C@H]1CCCO1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023436945 570323227 /nfs/dbraw/zinc/32/32/27/570323227.db2.gz ZNBIXSSROIVJIN-HXUWFJFHSA-N 0 1 397.478 4.806 50 0 GJAAMN COC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023429621 570323703 /nfs/dbraw/zinc/32/37/03/570323703.db2.gz LHELWFLPMJAGNN-INIZCTEOSA-N 0 1 385.467 4.662 50 0 GJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 ZINC000034796603 570338231 /nfs/dbraw/zinc/33/82/31/570338231.db2.gz RBCMMWLLPPDQPM-UHFFFAOYSA-N 0 1 396.834 4.980 50 0 GJAAMN COc1cccc(-c2cccc(N3CCC(NCc4nccs4)CC3)c2)c1 ZINC000023214423 570349890 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Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)c(C)c2)on1 ZINC000064845487 570565037 /nfs/dbraw/zinc/56/50/37/570565037.db2.gz RHIHIECPYKQDDL-UHFFFAOYSA-N 0 1 376.503 4.746 50 0 GJAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000032976355 570570204 /nfs/dbraw/zinc/57/02/04/570570204.db2.gz AWMUCXQWWIUCDT-UHFFFAOYSA-N 0 1 397.588 4.720 50 0 GJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000006752966 570571946 /nfs/dbraw/zinc/57/19/46/570571946.db2.gz OLJFYTHJRGCGHJ-FQEVSTJZSA-N 0 1 381.863 4.781 50 0 GJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1 ZINC000006753008 570571950 /nfs/dbraw/zinc/57/19/50/570571950.db2.gz OAKSZCFFLZBAPI-NRFANRHFSA-N 0 1 393.512 4.850 50 0 GJAAMN CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2C1 ZINC000225531211 570584591 /nfs/dbraw/zinc/58/45/91/570584591.db2.gz CBELIOVTXIMQTN-UHFFFAOYSA-N 0 1 385.316 4.518 50 0 GJAAMN CCCCc1ncc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)[nH]1 ZINC000011935469 570593342 /nfs/dbraw/zinc/59/33/42/570593342.db2.gz QZXKREOFUVEDJU-LJQANCHMSA-N 0 1 383.536 4.634 50 0 GJAAMN Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036345534 570628200 /nfs/dbraw/zinc/62/82/00/570628200.db2.gz PLZHOCILEVFTPX-WMZHIEFXSA-N 0 1 375.516 4.547 50 0 GJAAMN COc1ccc(OC)c([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)c1 ZINC000036347980 570630181 /nfs/dbraw/zinc/63/01/81/570630181.db2.gz UJSVNQHABNBMEW-XMMPIXPASA-N 0 1 376.500 4.809 50 0 GJAAMN Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)CN2C)cc1 ZINC000221603785 570667070 /nfs/dbraw/zinc/66/70/70/570667070.db2.gz AOCPPFBBSZTNPG-RBZQAINGSA-N 0 1 383.491 4.980 50 0 GJAAMN CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c(F)cccc1Cl ZINC000072332432 570705502 /nfs/dbraw/zinc/70/55/02/570705502.db2.gz DZARRXDCIBYXPP-SFHVURJKSA-N 0 1 385.826 4.681 50 0 GJAAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000058175408 570716357 /nfs/dbraw/zinc/71/63/57/570716357.db2.gz WWCRSTVOZZCPIR-QGZVFWFLSA-N 0 1 376.456 4.777 50 0 GJAAMN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(C2CC2)n[nH]1 ZINC000012992333 570738614 /nfs/dbraw/zinc/73/86/14/570738614.db2.gz BFBUITVQXVIZGJ-UHFFFAOYSA-N 0 1 377.466 4.505 50 0 GJAAMN CCOC(=O)c1sc2cccc(F)c2c1CSc1n[nH]c(C2CC2)n1 ZINC000012992333 570738618 /nfs/dbraw/zinc/73/86/18/570738618.db2.gz BFBUITVQXVIZGJ-UHFFFAOYSA-N 0 1 377.466 4.505 50 0 GJAAMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(C(F)(F)F)c1 ZINC000060062860 570740460 /nfs/dbraw/zinc/74/04/60/570740460.db2.gz RMHIIAIEHNBBJQ-MRXNPFEDSA-N 0 1 375.350 4.686 50 0 GJAAMN O=c1cc(CN[C@@H]2CCCc3ccccc32)nc2scc(-c3ccccc3)n21 ZINC000007015603 570741099 /nfs/dbraw/zinc/74/10/99/570741099.db2.gz AVGNPYHWOHJPRO-HXUWFJFHSA-N 0 1 387.508 4.590 50 0 GJAAMN CN(C)[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(O)cc1)c1ccccn1 ZINC000065395080 570764985 /nfs/dbraw/zinc/76/49/85/570764985.db2.gz GCGBTTIDUDBXHG-QFIPXVFZSA-N 0 1 384.483 4.621 50 0 GJAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)c(OC)c1 ZINC000013759139 570785922 /nfs/dbraw/zinc/78/59/22/570785922.db2.gz MVSZIESXWTZSRG-TUACAJSNSA-N 0 1 399.506 4.711 50 0 GJAAMN Cc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000005865992 570799276 /nfs/dbraw/zinc/79/92/76/570799276.db2.gz RRGUDUDLQGDXAE-UHFFFAOYSA-N 0 1 383.864 4.776 50 0 GJAAMN COc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1F ZINC000006009158 570813863 /nfs/dbraw/zinc/81/38/63/570813863.db2.gz MHWBALSCLFUPOJ-UHFFFAOYSA-N 0 1 394.269 4.674 50 0 GJAAMN CCOc1ccc(-c2cnc(NCCCc3ccccc3)n2CCOC)cc1 ZINC000004679233 570825467 /nfs/dbraw/zinc/82/54/67/570825467.db2.gz YVSVQLMWYOOENQ-UHFFFAOYSA-N 0 1 379.504 4.640 50 0 GJAAMN COc1ccc2cc([C@H](C)NCc3cc(OC)c(OC)cc3OC)ccc2c1 ZINC000170599378 570857924 /nfs/dbraw/zinc/85/79/24/570857924.db2.gz CCHKOQONMQOZPW-HNNXBMFYSA-N 0 1 381.472 4.725 50 0 GJAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1 ZINC000012560058 570861641 /nfs/dbraw/zinc/86/16/41/570861641.db2.gz ASPIUVPWBJPFDY-QGZVFWFLSA-N 0 1 385.345 4.694 50 0 GJAAMN CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1 ZINC000072126440 570867498 /nfs/dbraw/zinc/86/74/98/570867498.db2.gz NVCOIOAIBLFEFX-HNNXBMFYSA-N 0 1 394.437 4.503 50 0 GJAAMN COc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c1 ZINC000046914098 570936565 /nfs/dbraw/zinc/93/65/65/570936565.db2.gz XTZHSKJVHRGFIS-UHFFFAOYSA-N 0 1 386.333 4.821 50 0 GJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000005441661 570947498 /nfs/dbraw/zinc/94/74/98/570947498.db2.gz DRHQHZPGHGUKBE-IBGZPJMESA-N 0 1 379.437 4.717 50 0 biogenic GJAAMN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)C2)cc1 ZINC000091451956 571008595 /nfs/dbraw/zinc/00/85/95/571008595.db2.gz RGRDWLRRMSXQDR-LJQANCHMSA-N 0 1 389.499 4.625 50 0 GJAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056465 571016736 /nfs/dbraw/zinc/01/67/36/571016736.db2.gz SUOHOUKCFGPWAN-SFHVURJKSA-N 0 1 393.874 4.760 50 0 GJAAMN Cc1nn(-c2cccc(C)c2C)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057290 571016962 /nfs/dbraw/zinc/01/69/62/571016962.db2.gz VVBTXZOZWFCZCN-IBGZPJMESA-N 0 1 387.483 4.723 50 0 GJAAMN CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012785569 571038324 /nfs/dbraw/zinc/03/83/24/571038324.db2.gz UWOZIIAHMSJICH-GOSISDBHSA-N 0 1 375.394 4.833 50 0 GJAAMN COc1ccc(C)cc1C=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000096309332 212155378 /nfs/dbraw/zinc/15/53/78/212155378.db2.gz DHAXQYQKHBUWCM-BENRWUELSA-N 0 1 376.460 4.564 50 0 GJAAMN Cc1ccc(-c2csc(N3[NH2+]C(C(C)(C)C)=C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000005243120 209122280 /nfs/dbraw/zinc/12/22/80/209122280.db2.gz AYPRGRCZIQTDBR-KRWDZBQOSA-N 0 1 383.439 4.982 50 0 GJAAMN COc1ccc([C@H]2CC(=Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000001301048 206372169 /nfs/dbraw/zinc/37/21/69/206372169.db2.gz PMCVYRDIHJGJAR-JOCHJYFZSA-N 0 1 386.451 4.788 50 0 GJAAMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225124 206376001 /nfs/dbraw/zinc/37/60/01/206376001.db2.gz OQDWBESHSVJQDQ-SFHVURJKSA-N 0 1 375.516 4.991 50 0 GJAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000002222948 206402571 /nfs/dbraw/zinc/40/25/71/206402571.db2.gz ZYZXXANHOPUUJT-UHFFFAOYSA-N 0 1 395.406 4.711 50 0 GJAAMN Cc1ccc2nc(SCC(=O)NCCC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000004171272 206506626 /nfs/dbraw/zinc/50/66/26/206506626.db2.gz DIIZIWSCAGIOGK-UHFFFAOYSA-N 0 1 383.561 4.686 50 0 GJAAMN CCn1ncc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1C ZINC000012300813 206879932 /nfs/dbraw/zinc/87/99/32/206879932.db2.gz YTDBPKNECLOLOW-OAQYLSRUSA-N 0 1 377.536 4.509 50 0 GJAAMN CCCn1cc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c(C)n1 ZINC000012612583 206920811 /nfs/dbraw/zinc/92/08/11/206920811.db2.gz BPQZVGCGPZSGTQ-JOCHJYFZSA-N 0 1 377.536 4.571 50 0 GJAAMN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4cc(C)cnc43)c2)cs1 ZINC000023371841 207274661 /nfs/dbraw/zinc/27/46/61/207274661.db2.gz QDEDYACRQYWWKT-UHFFFAOYSA-N 0 1 395.509 4.776 50 0 GJAAMN CN(C)[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1 ZINC000025330214 207303065 /nfs/dbraw/zinc/30/30/65/207303065.db2.gz WSKBMISIRWJDOA-CYBMUJFWSA-N 0 1 382.913 4.788 50 0 GJAAMN CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 ZINC000027989190 207332865 /nfs/dbraw/zinc/33/28/65/207332865.db2.gz ROGVESGRGOWCAD-FQEVSTJZSA-N 0 1 386.561 4.884 50 0 GJAAMN COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027582647 207327894 /nfs/dbraw/zinc/32/78/94/207327894.db2.gz HIVRLNRHIBMINO-OAQYLSRUSA-N 0 1 386.923 4.696 50 0 biogenic GJAAMN O=c1[nH]c(SCc2ccccc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948511 207422878 /nfs/dbraw/zinc/42/28/78/207422878.db2.gz QYLGXIOVZIBISA-UHFFFAOYSA-N 0 1 383.523 4.797 50 0 GJAAMN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NCc1ccccc1)c1ccccc1O2 ZINC000095455496 208186741 /nfs/dbraw/zinc/18/67/41/208186741.db2.gz ZKZNSGBMOZTZPV-HYBUGGRVSA-N 0 1 394.515 4.680 50 0 GJAAMN CCn1c(-c2cc(NC(=O)c3cc(F)cc(F)c3)[nH]n2)cc2ccc(OC)cc21 ZINC000096398662 208314096 /nfs/dbraw/zinc/31/40/96/208314096.db2.gz QCEPHASOJQIQNY-UHFFFAOYSA-N 0 1 396.397 4.590 50 0 GJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000008313461 221035839 /nfs/dbraw/zinc/03/58/39/221035839.db2.gz QHFIBJXDCHFZPN-NRFANRHFSA-N 0 1 394.446 4.778 50 0 GJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000008328605 221037744 /nfs/dbraw/zinc/03/77/44/221037744.db2.gz TUQXLJKNRDDQSV-NRFANRHFSA-N 0 1 376.456 4.639 50 0 GJAAMN Cc1[nH]c(SCC(=O)N2CCC[C@H]2c2cccs2)nc1Cc1ccccc1 ZINC000008342621 221037826 /nfs/dbraw/zinc/03/78/26/221037826.db2.gz MPGAASODVZOSME-SFHVURJKSA-N 0 1 397.569 4.826 50 0 GJAAMN CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000007989232 221021629 /nfs/dbraw/zinc/02/16/29/221021629.db2.gz XXSIFOPNXFIZEK-UHFFFAOYSA-N 0 1 395.503 4.558 50 0 GJAAMN CC1CCN(Cc2ccc(Nc3c(=O)c(=O)c3-c3ccc(Cl)cc3)cc2)CC1 ZINC000009273565 221076127 /nfs/dbraw/zinc/07/61/27/221076127.db2.gz VEIBYMAKBMZCMY-UHFFFAOYSA-N 0 1 394.902 4.579 50 0 GJAAMN COc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1F ZINC000011841876 221132443 /nfs/dbraw/zinc/13/24/43/221132443.db2.gz KIKMDGPMXIGEQT-OAQYLSRUSA-N 0 1 379.479 4.804 50 0 GJAAMN Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000012302753 221177713 /nfs/dbraw/zinc/17/77/13/221177713.db2.gz DFIWKMJATIYCEI-LJQANCHMSA-N 0 1 380.423 4.986 50 0 GJAAMN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@H](C)c1ccccc1 ZINC000012307341 221178941 /nfs/dbraw/zinc/17/89/41/221178941.db2.gz YLMDXFWILQZWJR-LJQANCHMSA-N 0 1 390.531 4.510 50 0 GJAAMN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1 ZINC000012307049 221180037 /nfs/dbraw/zinc/18/00/37/221180037.db2.gz YZSCVGMHSCGXIL-SFHVURJKSA-N 0 1 379.891 4.621 50 0 GJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3ccccc3OC(F)F)c2C)cc1 ZINC000012432398 221194127 /nfs/dbraw/zinc/19/41/27/221194127.db2.gz ZSQWRJURFNMCJU-CQSZACIVSA-N 0 1 387.430 4.642 50 0 GJAAMN C/C=C(\C)CN1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 ZINC000012455180 221198796 /nfs/dbraw/zinc/19/87/96/221198796.db2.gz YBVWKPCDQGUYFS-OMCISZLKSA-N 0 1 383.488 4.540 50 0 GJAAMN CC(C)c1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012756631 221226740 /nfs/dbraw/zinc/22/67/40/221226740.db2.gz UWHZLNOUFZOZLK-UHFFFAOYSA-N 0 1 394.515 4.922 50 0 GJAAMN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccccc2)C1 ZINC000013594543 221275794 /nfs/dbraw/zinc/27/57/94/221275794.db2.gz KSORGAHSMHRMGC-GOSISDBHSA-N 0 1 379.529 4.552 50 0 GJAAMN C[C@H]1CCc2c(sc3ncnc(Sc4nc(-c5ccccc5)n[nH]4)c23)C1 ZINC000014252941 221308103 /nfs/dbraw/zinc/30/81/03/221308103.db2.gz YTQLOUPYBKGXOF-NSHDSACASA-N 0 1 379.514 4.752 50 0 GJAAMN C[C@@H]1CCc2c(sc3ncnc(Sc4nc(-c5ccccc5)n[nH]4)c23)C1 ZINC000014252938 221308422 /nfs/dbraw/zinc/30/84/22/221308422.db2.gz YTQLOUPYBKGXOF-LLVKDONJSA-N 0 1 379.514 4.752 50 0 GJAAMN CCc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 ZINC000015859684 221348874 /nfs/dbraw/zinc/34/88/74/221348874.db2.gz AUFLYSXEYNPQRN-IBGZPJMESA-N 0 1 395.528 4.532 50 0 GJAAMN CCOc1ccccc1C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863872 221350027 /nfs/dbraw/zinc/35/00/27/221350027.db2.gz FAUSOGHLJFYXDY-UHFFFAOYSA-N 0 1 385.467 4.999 50 0 GJAAMN CCc1nc2sc([C@H](c3cccc(Cl)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690028 221369852 /nfs/dbraw/zinc/36/98/52/221369852.db2.gz SRUCLAWPDCBJCA-WBMJQRKESA-N 0 1 390.940 4.534 50 0 GJAAMN CCc1ccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 ZINC000018960734 221394276 /nfs/dbraw/zinc/39/42/76/221394276.db2.gz CHVISBDLXUPSLH-UHFFFAOYSA-N 0 1 393.556 4.622 50 0 GJAAMN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccn2cncc2c1 ZINC000096012096 136183210 /nfs/dbraw/zinc/18/32/10/136183210.db2.gz HBTNNYZDWNQEPO-FQEVSTJZSA-N 0 1 388.515 4.696 50 0 GJAAMN Cc1ccc(-c2noc(CN3CCC(CCc4ccc(O)cc4)CC3)n2)cc1 ZINC000026114407 221636211 /nfs/dbraw/zinc/63/62/11/221636211.db2.gz PGFUSMUNWIRSQF-UHFFFAOYSA-N 0 1 377.488 4.595 50 0 GJAAMN O=C(Nc1c(C2CCOCC2)n[nH]c1-c1ccccc1)c1ccccc1Cl ZINC000034796882 221804395 /nfs/dbraw/zinc/80/43/95/221804395.db2.gz UNGWXGMWVPZLIM-UHFFFAOYSA-N 0 1 381.863 4.876 50 0 GJAAMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(OCc2ccncc2)cc1 ZINC000040091384 221904999 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COc1cc([C@H](C)n2c(=O)c3ccccc3[nH]c2=S)ccc1OCC(C)C ZINC000040087764 207338258 /nfs/dbraw/zinc/33/82/58/207338258.db2.gz WWKHBEZDDNHAQZ-AWEZNQCLSA-N 0 1 384.501 4.712 50 0 GJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)s2)on1 ZINC000096323487 208306410 /nfs/dbraw/zinc/30/64/10/208306410.db2.gz OKTGPNFTTLCYGO-UHFFFAOYSA-N 0 1 386.857 4.613 50 0 GJAAMN CC(=O)Nc1ccc(NC(=O)CCc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000096363674 208309689 /nfs/dbraw/zinc/30/96/89/208309689.db2.gz CONSDXYFDDYNOF-UHFFFAOYSA-N 0 1 398.466 4.760 50 0 GJAAMN O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 ZINC000230012735 209004267 /nfs/dbraw/zinc/00/42/67/209004267.db2.gz DHAIHTADTTVAFV-TZYHBYERSA-N 0 1 399.918 4.937 50 0 GJAAMN CCOc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccccc1 ZINC000007539393 221001212 /nfs/dbraw/zinc/00/12/12/221001212.db2.gz LSXNESHECYEZDG-UHFFFAOYSA-N 0 1 391.467 4.683 50 0 GJAAMN O[C@@H](CN1CCc2ccccc2C1)CN1c2ccccc2Sc2ccccc21 ZINC000009970618 221095631 /nfs/dbraw/zinc/09/56/31/221095631.db2.gz PNPBTSJNYCVQSK-FQEVSTJZSA-N 0 1 388.536 4.709 50 0 GJAAMN CCCn1ncc(CN2CCC[C@H](C(=O)c3cccc4ccccc43)C2)c1C ZINC000012373788 221185964 /nfs/dbraw/zinc/18/59/64/221185964.db2.gz DAXANSSVTIUGEP-FQEVSTJZSA-N 0 1 375.516 4.850 50 0 GJAAMN Cc1cccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012448464 221197056 /nfs/dbraw/zinc/19/70/56/221197056.db2.gz DUEPRNKXJLMUCC-QFIPXVFZSA-N 0 1 387.483 4.785 50 0 GJAAMN O=C(Nc1ccccc1)Nc1ccc2cc(C(=O)c3ccccc3O)cnc2c1 ZINC000012880025 221241397 /nfs/dbraw/zinc/24/13/97/221241397.db2.gz LZWTYDOVYZUOJJ-UHFFFAOYSA-N 0 1 383.407 4.815 50 0 GJAAMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1 ZINC000012897189 221242970 /nfs/dbraw/zinc/24/29/70/221242970.db2.gz ABHXPEWJFNMCMA-CQSZACIVSA-N 0 1 386.879 4.671 50 0 GJAAMN C[C@H](NC(=O)CSc1n[nH]c(CCC2CCCC2)n1)c1cc2ccccc2o1 ZINC000014084382 221299189 /nfs/dbraw/zinc/29/91/89/221299189.db2.gz XEABQTSFKQCADN-AWEZNQCLSA-N 0 1 398.532 4.643 50 0 GJAAMN C[C@H](NC(=O)CSc1nc(CCC2CCCC2)n[nH]1)c1cc2ccccc2o1 ZINC000014084382 221299191 /nfs/dbraw/zinc/29/91/91/221299191.db2.gz XEABQTSFKQCADN-AWEZNQCLSA-N 0 1 398.532 4.643 50 0 GJAAMN CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 ZINC000015074835 221330521 /nfs/dbraw/zinc/33/05/21/221330521.db2.gz WPDVQNFGRIWVHW-SFHVURJKSA-N 0 1 384.907 4.702 50 0 GJAAMN Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)no2)cc1 ZINC000015859685 221349105 /nfs/dbraw/zinc/34/91/05/221349105.db2.gz UCXONXCITIMZAH-LJQANCHMSA-N 0 1 395.528 4.669 50 0 GJAAMN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000016606979 221365882 /nfs/dbraw/zinc/36/58/82/221365882.db2.gz LUZJBTCXGYTYIA-UHFFFAOYSA-N 0 1 386.967 4.637 50 0 GJAAMN Cc1ccc(-c2nnc(N3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000004278794 136193860 /nfs/dbraw/zinc/19/38/60/136193860.db2.gz ZVYNPPXPRUZWIJ-UHFFFAOYSA-N 0 1 394.522 4.927 50 0 GJAAMN CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cnc(C)s2)CC1 ZINC000055270691 222017724 /nfs/dbraw/zinc/01/77/24/222017724.db2.gz WDDPZZJXKJWGGZ-UHFFFAOYSA-N 0 1 386.561 4.620 50 0 GJAAMN CCc1cc([C@@H](C)n2cnc(-c3ccccc3)c2-c2[nH]c(CC)nc2C)on1 ZINC000067472819 222147062 /nfs/dbraw/zinc/14/70/62/222147062.db2.gz ZWTMPCBMQMWFDA-OAHLLOKOSA-N 0 1 375.476 4.971 50 0 GJAAMN O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1)NCc1ccc(F)c(F)c1 ZINC000095529230 222352176 /nfs/dbraw/zinc/35/21/76/222352176.db2.gz ATVJEHDOJMSLTE-AWEZNQCLSA-N 0 1 396.865 4.520 50 0 GJAAMN O=C(Nc1nc(-c2cccnc2)cs1)c1cn[nH]c1-c1ccc(F)c(Cl)c1 ZINC000095964191 222366224 /nfs/dbraw/zinc/36/62/24/222366224.db2.gz RJMOYCICQUTAMA-UHFFFAOYSA-N 0 1 399.838 4.640 50 0 GJAAMN CCOc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720803 570294831 /nfs/dbraw/zinc/29/48/31/570294831.db2.gz JYVZZOLAKSHSHW-LJQANCHMSA-N 0 1 380.492 4.671 50 0 GJAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccoc3)CC2)c1 ZINC000034683437 570301007 /nfs/dbraw/zinc/30/10/07/570301007.db2.gz XTMZSIBZDNSDAT-UHFFFAOYSA-N 0 1 396.512 4.661 50 0 GJAAMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000002855431 570309739 /nfs/dbraw/zinc/30/97/39/570309739.db2.gz ZRSHGCOBVRUDMF-UHFFFAOYSA-N 0 1 389.860 4.942 50 0 GJAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2c(F)cccc2F)c(OC)c1 ZINC000034796056 570337916 /nfs/dbraw/zinc/33/79/16/570337916.db2.gz ADCVOLRJCCTUQP-UHFFFAOYSA-N 0 1 399.397 4.502 50 0 GJAAMN CCc1n[nH]c(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000034796593 570338242 /nfs/dbraw/zinc/33/82/42/570338242.db2.gz QITNRMFFOKSNDG-UHFFFAOYSA-N 0 1 384.823 4.665 50 0 GJAAMN Cc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)n1-c1nccs1 ZINC000006292265 570363684 /nfs/dbraw/zinc/36/36/84/570363684.db2.gz AANITJHIQMRIKS-UHFFFAOYSA-N 0 1 382.514 4.710 50 0 GJAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1-c1ccno1 ZINC000035479783 570367711 /nfs/dbraw/zinc/36/77/11/570367711.db2.gz PYBBKTVAMLBNGS-UHFFFAOYSA-N 0 1 382.894 4.783 50 0 GJAAMN CC(C)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000004757093 570403649 /nfs/dbraw/zinc/40/36/49/570403649.db2.gz LPBVHVJXPXEHTC-UHFFFAOYSA-N 0 1 394.496 4.863 50 0 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CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)CC ZINC000036308533 570605279 /nfs/dbraw/zinc/60/52/79/570605279.db2.gz DQZVDQUNUKTDMW-OAQYLSRUSA-N 0 1 393.531 4.956 50 0 GJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 ZINC000005474270 570605815 /nfs/dbraw/zinc/60/58/15/570605815.db2.gz LMXDRQCYKLBQHG-IBGZPJMESA-N 0 1 392.528 4.626 50 0 GJAAMN CCn1cc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c(C)n1 ZINC000012201223 570624472 /nfs/dbraw/zinc/62/44/72/570624472.db2.gz BYDXKZTZWZRTCR-FQEVSTJZSA-N 0 1 387.527 4.558 50 0 GJAAMN Cc1ccc(C2=NN(C(=O)CN(C)C(C)C)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340988 570625288 /nfs/dbraw/zinc/62/52/88/570625288.db2.gz ATRIQJWBFRBMBZ-QFIPXVFZSA-N 0 1 397.950 4.975 50 0 GJAAMN Cc1ccc(C)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCCC2)c1 ZINC000036344523 570626318 /nfs/dbraw/zinc/62/63/18/570626318.db2.gz QADXPRDEMJFEKU-XMMPIXPASA-N 0 1 389.543 4.694 50 0 GJAAMN COc1cc(OC)cc([C@H]2c3cccn3CCCN2Cc2ccccc2C)c1 ZINC000036347434 570628812 /nfs/dbraw/zinc/62/88/12/570628812.db2.gz QSZTUXNBXRYSHO-DEOSSOPVSA-N 0 1 376.500 4.809 50 0 GJAAMN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000006833253 570636426 /nfs/dbraw/zinc/63/64/26/570636426.db2.gz JRBBXNBIGSYQQS-WZONZLPQSA-N 0 1 378.560 4.998 50 0 GJAAMN COC(=O)c1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1 ZINC000012471871 570673312 /nfs/dbraw/zinc/67/33/12/570673312.db2.gz GWWHYCJSHKDKHE-KRWDZBQOSA-N 0 1 399.494 4.971 50 0 GJAAMN Fc1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000055292419 570690710 /nfs/dbraw/zinc/69/07/10/570690710.db2.gz XLADNKFVPXZLBX-UHFFFAOYSA-N 0 1 376.475 4.727 50 0 GJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007118848 570792533 /nfs/dbraw/zinc/79/25/33/570792533.db2.gz AMNBHHKERNJNRN-FQEVSTJZSA-N 0 1 391.521 4.988 50 0 GJAAMN O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccc1Br ZINC000071283253 570886865 /nfs/dbraw/zinc/88/68/65/570886865.db2.gz DSJMYHHCIMAFJF-UHFFFAOYSA-N 0 1 393.244 4.640 50 0 GJAAMN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc21)CCCC3 ZINC000004735775 570950285 /nfs/dbraw/zinc/95/02/85/570950285.db2.gz KTGLFOSJRJHJTI-UHFFFAOYSA-N 0 1 392.480 4.969 50 0 GJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)s2)n1 ZINC000033289945 570960332 /nfs/dbraw/zinc/96/03/32/570960332.db2.gz XUSAXKFYPLMDMU-UHFFFAOYSA-N 0 1 384.935 4.943 50 0 GJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)c(C)s2)n1 ZINC000033289983 570960718 /nfs/dbraw/zinc/96/07/18/570960718.db2.gz XKHAXTNYVAWJOH-UHFFFAOYSA-N 0 1 378.544 4.906 50 0 GJAAMN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000046056436 571016766 /nfs/dbraw/zinc/01/67/66/571016766.db2.gz MQUCNBHKFJSIRK-SFHVURJKSA-N 0 1 393.874 4.705 50 0 GJAAMN Cc1nn(-c2cccc(Cl)c2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056480 571016812 /nfs/dbraw/zinc/01/68/12/571016812.db2.gz QGLGNGSAZTVKGW-SFHVURJKSA-N 0 1 393.874 4.760 50 0 GJAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056744 571016817 /nfs/dbraw/zinc/01/68/17/571016817.db2.gz QFBQLYDYOWAPIX-GOSISDBHSA-N 0 1 393.874 4.760 50 0 GJAAMN Cc1nn(-c2cccc(C)c2C)c2c1[C@@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046057284 571017286 /nfs/dbraw/zinc/01/72/86/571017286.db2.gz BMAUJQVHGMXGQK-IBGZPJMESA-N 0 1 387.483 4.723 50 0 GJAAMN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057781 571017668 /nfs/dbraw/zinc/01/76/68/571017668.db2.gz WSHCJFUROCWXFT-FQEVSTJZSA-N 0 1 387.483 4.723 50 0 GJAAMN O=C([O-])c1cccc([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)c1 ZINC000095373918 571062874 /nfs/dbraw/zinc/06/28/74/571062874.db2.gz HQROMSTZQKEJAU-NRFANRHFSA-N 0 1 379.504 4.602 50 0 GJAAMN