smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1 ZINC000007099556 856391813 /nfs/dbraw/zinc/39/18/13/856391813.db2.gz FJNSAWVTCTXSMO-UHFFFAOYSA-N 0 1 395.418 3.592 40 0 GHABMN Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)cc12 ZINC000217428857 893570942 /nfs/dbraw/zinc/57/09/42/893570942.db2.gz AFBJFLPWOFWBOG-UHFFFAOYSA-N 0 1 383.256 3.944 40 0 GHABMN CCn1c(CN2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 ZINC000012087319 204370208 /nfs/dbraw/zinc/37/02/08/204370208.db2.gz JXHQAHUBKMAOHR-KRWDZBQOSA-N 0 1 387.491 3.616 40 0 GHABMN C[C@H](O)CN(Cc1cccn1-c1cccc(F)c1)Cc1ccc2c(c1)OCO2 ZINC000012147973 204376661 /nfs/dbraw/zinc/37/66/61/204376661.db2.gz QLZIDIOTLXILOP-INIZCTEOSA-N 0 1 382.435 3.728 40 0 GHABMN CCOc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C)OCCO4)[nH]n2)cc1 ZINC000012147255 204377664 /nfs/dbraw/zinc/37/76/64/204377664.db2.gz GICFPOBAAZAXNH-UHFFFAOYSA-N 0 1 379.416 3.807 40 0 GHABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000012328863 204399321 /nfs/dbraw/zinc/39/93/21/204399321.db2.gz BFLAWEJFVKXSHN-MRXNPFEDSA-N 0 1 382.479 3.777 40 0 GHABMN Cc1cc(Br)c(S(=O)(=O)Nc2cccc(O)c2)cc1Cl ZINC000054363175 205139625 /nfs/dbraw/zinc/13/96/25/205139625.db2.gz QXPXWBOLFPPSPN-UHFFFAOYSA-N 0 1 376.659 3.917 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348760 205331180 /nfs/dbraw/zinc/33/11/80/205331180.db2.gz XRZBREMUQKEWCU-IBGZPJMESA-N 0 1 383.511 3.859 40 0 GHABMN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccnn1C ZINC000072370605 205336201 /nfs/dbraw/zinc/33/62/01/205336201.db2.gz AIZIPCDVZDQUTG-HNNXBMFYSA-N 0 1 382.533 3.592 40 0 GHABMN CCn1cc(CN2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)cn1 ZINC000072384328 205339577 /nfs/dbraw/zinc/33/95/77/205339577.db2.gz JAYIYXZRBGVGGB-GOSISDBHSA-N 0 1 378.480 3.568 40 0 GHABMN CCCn1c2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2sc1=O ZINC000225723601 206070447 /nfs/dbraw/zinc/07/04/47/206070447.db2.gz XRLVZVDZVRCVMA-UHFFFAOYSA-N 0 1 392.502 3.591 40 0 GHABMN Cc1nc2cc([C@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212063 206158936 /nfs/dbraw/zinc/15/89/36/206158936.db2.gz CBTRIPCYDNJMSU-OAQYLSRUSA-N 0 1 397.567 3.837 40 0 GHABMN COc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cc1 ZINC000306124529 206197613 /nfs/dbraw/zinc/19/76/13/206197613.db2.gz BSTPALZEQXEODV-PKTZIBPZSA-N 0 1 387.483 3.578 40 0 GHABMN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113954718 136192103 /nfs/dbraw/zinc/19/21/03/136192103.db2.gz FZGMZXFXJCOMRP-SFHVURJKSA-N 0 1 381.520 3.968 40 0 GHABMN Cc1ccccc1OCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000408628431 534825587 /nfs/dbraw/zinc/82/55/87/534825587.db2.gz SYFWVCVBPNIDAT-UHFFFAOYSA-N 0 1 385.272 3.899 40 0 GHABMN CC(C)(C)c1csc(CCNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000019718980 570210191 /nfs/dbraw/zinc/21/01/91/570210191.db2.gz WIZULVXJGZOVJA-UHFFFAOYSA-N 0 1 376.913 3.872 40 0 GHABMN CC[C@H](C)Nc1nc(C(C)C)cc(N2CCc3cc(C(=O)OC)ccc3C2)n1 ZINC000328998632 570211247 /nfs/dbraw/zinc/21/12/47/570211247.db2.gz JTRBEMLLTRAYIB-HNNXBMFYSA-N 0 1 382.508 3.582 40 0 GHABMN CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(NC2CCCC2)n1 ZINC000329003841 570211518 /nfs/dbraw/zinc/21/15/18/570211518.db2.gz KOHPPZGUALJKMJ-UHFFFAOYSA-N 0 1 382.508 3.973 40 0 GHABMN COCCn1c(C(=O)N2CCCN(C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096146359 570214167 /nfs/dbraw/zinc/21/41/67/570214167.db2.gz ALBABJSPVKCAMN-UHFFFAOYSA-N 0 1 396.535 3.601 40 0 GHABMN Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCC[C@@H](C(=O)[O-])C2)[nH+]1 ZINC000217362038 570315089 /nfs/dbraw/zinc/31/50/89/570315089.db2.gz MAEHRBYJUKZIBG-GFCCVEGCSA-N 0 1 380.370 3.848 40 0 GHABMN Cc1nc(N2CCC[C@@H](C(=O)[O-])C2)cc(Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000217362038 570315090 /nfs/dbraw/zinc/31/50/90/570315090.db2.gz MAEHRBYJUKZIBG-GFCCVEGCSA-N 0 1 380.370 3.848 40 0 GHABMN CN1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000007105762 570419425 /nfs/dbraw/zinc/41/94/25/570419425.db2.gz GOLJNVBBOMLCTL-UHFFFAOYSA-N 0 1 387.911 3.888 40 0 GHABMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc21 ZINC000223335518 570459551 /nfs/dbraw/zinc/45/95/51/570459551.db2.gz RTTWILMDRRROEJ-UHFFFAOYSA-N 0 1 388.489 3.574 40 0 GHABMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000035088611 570549907 /nfs/dbraw/zinc/54/99/07/570549907.db2.gz QMIIWQGANXDDCF-OUFMZXHOSA-N 0 1 392.559 3.786 40 0 GHABMN CCc1cccc(C)c1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000004895538 570637048 /nfs/dbraw/zinc/63/70/48/570637048.db2.gz MCROSNRAQHCSLT-UHFFFAOYSA-N 0 1 395.482 3.717 40 0 GHABMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000005484642 570663355 /nfs/dbraw/zinc/66/33/55/570663355.db2.gz YNFWZXWMGUZHIN-UHFFFAOYSA-N 0 1 390.852 3.570 40 0 GHABMN CC1(C)[C@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253480221 570741780 /nfs/dbraw/zinc/74/17/80/570741780.db2.gz VNMRXZNXEDNUMN-XKPYVIEYSA-N 0 1 390.543 3.540 40 0 GHABMN O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]21)C(F)F ZINC000585109630 570937977 /nfs/dbraw/zinc/93/79/77/570937977.db2.gz GRGVZUSNDCJXAK-XYJFISCASA-N 0 1 378.369 3.616 40 0 GHABMN Fc1cccc(CN(CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)c1 ZINC000019293767 570973089 /nfs/dbraw/zinc/97/30/89/570973089.db2.gz BNCQGPQXJPJUHH-UHFFFAOYSA-N 0 1 394.498 3.505 40 0 GHABMN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 ZINC000019334050 570975474 /nfs/dbraw/zinc/97/54/74/570975474.db2.gz GZSYVDCWMNDNQN-SFHVURJKSA-N 0 1 394.450 3.518 40 0 GHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H]3c3ccc(-c4cncnc4)cn3)c2c1 ZINC000019688661 571028762 /nfs/dbraw/zinc/02/87/62/571028762.db2.gz SQCHTEWXBLLSKX-HXUWFJFHSA-N 0 1 384.443 3.701 40 0 GHABMN COc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1CN1CCCC1 ZINC000019714663 571036440 /nfs/dbraw/zinc/03/64/40/571036440.db2.gz OJMBQXAEYSVNPG-UHFFFAOYSA-N 0 1 376.460 3.729 40 0 GHABMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Cl ZINC000008477372 856406932 /nfs/dbraw/zinc/40/69/32/856406932.db2.gz JRRUJVOEWUCQPA-XBUHWIKASA-N 0 1 390.867 3.922 40 0 GHABMN Cc1nnc(Nc2cc([C@@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 ZINC000072360191 205333977 /nfs/dbraw/zinc/33/39/77/205333977.db2.gz LGSQOKSKABQMSC-INIZCTEOSA-N 0 1 380.477 3.666 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072348751 205330801 /nfs/dbraw/zinc/33/08/01/205330801.db2.gz VPARGJXYYQLIMX-IBGZPJMESA-N 0 1 381.520 3.805 40 0 GHABMN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072349726 205330850 /nfs/dbraw/zinc/33/08/50/205330850.db2.gz VFZRLIXKMOTRQX-SFHVURJKSA-N 0 1 379.504 3.559 40 0 GHABMN O=C(CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCC1 ZINC000072358556 205334596 /nfs/dbraw/zinc/33/45/96/205334596.db2.gz KBZCOASWSXORCP-KRWDZBQOSA-N 0 1 384.911 3.599 40 0 GHABMN CC(=O)Nc1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112318 206116013 /nfs/dbraw/zinc/11/60/13/206116013.db2.gz BSJGIDRQYUPQKW-NQIIRXRSSA-N 0 1 396.466 3.569 40 0 biogenic,in-vitro GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2cc(CO)n[nH]2)cc1 ZINC000257280891 206171138 /nfs/dbraw/zinc/17/11/38/206171138.db2.gz OMVIJHAXTFBTNW-NRFANRHFSA-N 0 1 377.444 3.604 40 0 GHABMN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275923 206171526 /nfs/dbraw/zinc/17/15/26/206171526.db2.gz NROJIRWDXXJZNF-INIZCTEOSA-N 0 1 379.460 3.833 40 0 GHABMN O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306143105 206207908 /nfs/dbraw/zinc/20/79/08/206207908.db2.gz XTIQFCLEPXALJV-UXHICEINSA-N 0 1 381.476 3.770 40 0 GHABMN Cc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)s1 ZINC000306135469 206202314 /nfs/dbraw/zinc/20/23/14/206202314.db2.gz ORXZMWIGRJASHV-MOPGFXCFSA-N 0 1 398.557 3.704 40 0 GHABMN Cc1nc2ccc(NC(=O)CC3CCN(C(=O)Cc4ccccc4)CC3)cc2[nH]1 ZINC000019748598 570214239 /nfs/dbraw/zinc/21/42/39/570214239.db2.gz JCRPIVBZRACBQY-UHFFFAOYSA-N 0 1 390.487 3.681 40 0 GHABMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2o1 ZINC000019936437 570231701 /nfs/dbraw/zinc/23/17/01/570231701.db2.gz RKIFLBNGRKMZES-UHFFFAOYSA-N 0 1 382.397 3.714 40 0 GHABMN COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C)ccc3OC)ccc2s1 ZINC000020029838 570235792 /nfs/dbraw/zinc/23/57/92/570235792.db2.gz CWODKMSQMGUYGJ-UHFFFAOYSA-N 0 1 391.470 3.806 40 0 GHABMN CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000223329153 570459195 /nfs/dbraw/zinc/45/91/95/570459195.db2.gz XYHKHBDEZYPCCB-UHFFFAOYSA-N 0 1 380.853 3.918 40 0 GHABMN Cc1cc(C)c(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c(C)c1 ZINC000223348540 570460921 /nfs/dbraw/zinc/46/09/21/570460921.db2.gz CZJORDYADOSLPB-UHFFFAOYSA-N 0 1 380.853 3.511 40 0 GHABMN C[C@H]1C[C@H](OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 ZINC000035338760 570551989 /nfs/dbraw/zinc/55/19/89/570551989.db2.gz SKTOVRLIDRMZIZ-WMQCIHAUSA-N 0 1 378.532 3.540 40 0 GHABMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2C)c(OC)c1 ZINC000004909305 570647878 /nfs/dbraw/zinc/64/78/78/570647878.db2.gz ZQBLWFFZMCNIIZ-IBGZPJMESA-N 0 1 383.835 3.922 40 0 GHABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000007402496 570758617 /nfs/dbraw/zinc/75/86/17/570758617.db2.gz LAXVDNUGSJENOY-UHFFFAOYSA-N 0 1 376.659 3.912 40 0 GHABMN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 ZINC000226263527 570935563 /nfs/dbraw/zinc/93/55/63/570935563.db2.gz PDUMAWKZTFEDAR-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019533269 570999843 /nfs/dbraw/zinc/99/98/43/570999843.db2.gz AQZNOPHEFIWMCT-OAQYLSRUSA-N 0 1 390.487 3.958 40 0 GHABMN COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019555284 571003025 /nfs/dbraw/zinc/00/30/25/571003025.db2.gz COXQSZRFGKYBDL-HXUWFJFHSA-N 0 1 376.460 3.568 40 0 GHABMN COc1cccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019565224 571007674 /nfs/dbraw/zinc/00/76/74/571007674.db2.gz KDBHYXYYMMXAKC-FQEVSTJZSA-N 0 1 376.460 3.980 40 0 GHABMN COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 ZINC000019571323 571010146 /nfs/dbraw/zinc/01/01/46/571010146.db2.gz JUOOGYMPAMNLHC-KRWDZBQOSA-N 0 1 392.459 3.710 40 0 GHABMN COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1 ZINC000019571332 571010165 /nfs/dbraw/zinc/01/01/65/571010165.db2.gz NLMSVQPKDSOIAW-QGZVFWFLSA-N 0 1 392.459 3.710 40 0 GHABMN Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689537 571028626 /nfs/dbraw/zinc/02/86/26/571028626.db2.gz HZSJIJIQZZKRTA-HXUWFJFHSA-N 0 1 376.508 3.589 40 0 GHABMN COc1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)nc(C(C)C)n1)C2 ZINC000328969492 571047958 /nfs/dbraw/zinc/04/79/58/571047958.db2.gz DERPEVHICBGUQD-LJQANCHMSA-N 0 1 384.524 3.600 40 0 GHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053413 571097954 /nfs/dbraw/zinc/09/79/54/571097954.db2.gz MYNPGJIGAMUWPK-QGZVFWFLSA-N 0 1 380.488 3.849 40 0 GHABMN CCOC(=O)c1c2c(sc1Nc1nc3nonc3nc1Cl)CCCC2 ZINC000003012984 862109230 /nfs/dbraw/zinc/10/92/30/862109230.db2.gz IMTAIAREMZETNM-UHFFFAOYSA-N 0 1 379.829 3.527 40 0 GHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000007495225 856393170 /nfs/dbraw/zinc/39/31/70/856393170.db2.gz FSJZVJQHSRNVHM-SFQUDFHCSA-N 0 1 383.835 3.535 40 0 GHABMN CCOc1cc([C@@H](N)c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)ccc1OC ZINC000095534435 860613928 /nfs/dbraw/zinc/61/39/28/860613928.db2.gz GMRYDUBDHSZLRX-MRXNPFEDSA-N 0 1 392.381 3.946 40 0 GHABMN COc1ccccc1[C@]1(O)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2C)C1 ZINC000012147530 204376453 /nfs/dbraw/zinc/37/64/53/204376453.db2.gz AJRJHXYMMJESFG-QHCPKHFHSA-N 0 1 391.471 3.518 40 0 GHABMN O=C(NC[C@H](c1ccccc1F)N1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012200998 204382997 /nfs/dbraw/zinc/38/29/97/204382997.db2.gz SQTRFFVAJWOCSY-OAQYLSRUSA-N 0 1 395.478 3.519 40 0 GHABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000038696154 205036974 /nfs/dbraw/zinc/03/69/74/205036974.db2.gz AZKYSFLBSUGCDB-UHFFFAOYSA-N 0 1 394.880 3.585 40 0 GHABMN COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)cc1 ZINC000072348702 205330086 /nfs/dbraw/zinc/33/00/86/205330086.db2.gz NFWQMRVFRUQKND-FQEVSTJZSA-N 0 1 393.531 3.949 40 0 GHABMN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 ZINC000072349727 205330624 /nfs/dbraw/zinc/33/06/24/205330624.db2.gz ACIQWJXBBVHIQU-LJQANCHMSA-N 0 1 379.504 3.559 40 0 GHABMN O=c1cc(C2CCN(Cc3c(F)cccc3F)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392772 205342335 /nfs/dbraw/zinc/34/23/35/205342335.db2.gz WZTFICRGELJURN-UHFFFAOYSA-N 0 1 382.414 3.902 40 0 GHABMN COc1cc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)ccc1O ZINC000072396688 205344378 /nfs/dbraw/zinc/34/43/78/205344378.db2.gz NIJSYJOFGQYANM-CQSZACIVSA-N 0 1 386.477 3.595 40 0 GHABMN CC(=O)N1CCC(c2[nH]ncc2-c2ccnc(NCc3ccccc3F)c2)CC1 ZINC000257290273 206173895 /nfs/dbraw/zinc/17/38/95/206173895.db2.gz QCFXPDGSPFMGHA-UHFFFAOYSA-N 0 1 393.466 3.949 40 0 GHABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000257226203 206162759 /nfs/dbraw/zinc/16/27/59/206162759.db2.gz FJQFACDMEYHYAX-IBGZPJMESA-N 0 1 384.455 3.553 40 0 GHABMN Fc1ccc(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cc1 ZINC000257257533 206168193 /nfs/dbraw/zinc/16/81/93/206168193.db2.gz KQAXGXQIWGSNRH-JOCHJYFZSA-N 0 1 399.441 3.883 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306144469 206206212 /nfs/dbraw/zinc/20/62/12/206206212.db2.gz ZGCTZEIPAMHXRI-PMACEKPBSA-N 0 1 381.476 3.770 40 0 GHABMN Cc1cc(C)cc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306144610 206206992 /nfs/dbraw/zinc/20/69/92/206206992.db2.gz ZKEQQOCAMWTXHK-UHFFFAOYSA-N 0 1 398.514 3.730 40 0 GHABMN C[C@H](O)CN(Cc1cccn1-c1ccccc1F)Cc1ccc2c(c1)OCO2 ZINC000012118142 221153422 /nfs/dbraw/zinc/15/34/22/221153422.db2.gz CAGMVSXZJXNPTQ-INIZCTEOSA-N 0 1 382.435 3.728 40 0 GHABMN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113945801 136192148 /nfs/dbraw/zinc/19/21/48/136192148.db2.gz GVYXSQPOGLRFNN-SFHVURJKSA-N 0 1 389.499 3.998 40 0 GHABMN CN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000004980531 536418373 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O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1)c1cccs1 ZINC000019400764 570982856 /nfs/dbraw/zinc/98/28/56/570982856.db2.gz OGCHUPSANHBIES-RXVVDRJESA-N 0 1 392.528 3.921 40 0 GHABMN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000019661619 571025863 /nfs/dbraw/zinc/02/58/63/571025863.db2.gz XPYBPJPHAIZVFZ-LLVKDONJSA-N 0 1 376.338 3.897 40 0 GHABMN CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000006553210 856382349 /nfs/dbraw/zinc/38/23/49/856382349.db2.gz AQBBWABCWMUBPG-UHFFFAOYSA-N 0 1 380.897 3.931 40 0 GHABMN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000001935338 1068079103 /nfs/dbraw/zinc/07/91/03/1068079103.db2.gz DNTJGNVOESSNHA-NTEUORMPSA-N 0 1 379.441 3.534 40 0 GHABMN CN(C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1)c1ccccc1 ZINC000008635708 291132004 /nfs/dbraw/zinc/13/20/04/291132004.db2.gz BYNPBRYTNKJWQW-ABSDTBQOSA-N 0 1 384.549 3.716 40 0 biogenic,in-vitro GHABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000038697118 205036796 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COc1ccc(OC)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000225601507 206061318 /nfs/dbraw/zinc/06/13/18/206061318.db2.gz UBQCCRRCOCQZOH-UHFFFAOYSA-N 0 1 379.478 3.945 40 0 GHABMN CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225678551 206066491 /nfs/dbraw/zinc/06/64/91/206066491.db2.gz SQLGDJUABBNSLC-UHFFFAOYSA-N 0 1 380.516 3.513 40 0 GHABMN Cc1nc2cc([C@@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212062 206159192 /nfs/dbraw/zinc/15/91/92/206159192.db2.gz CBTRIPCYDNJMSU-NRFANRHFSA-N 0 1 397.567 3.837 40 0 GHABMN CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000257301389 206175493 /nfs/dbraw/zinc/17/54/93/206175493.db2.gz RYHDCJDAINKZOR-KRWDZBQOSA-N 0 1 377.492 3.651 40 0 GHABMN c1cc(-c2cnc(N3CCN4CCCC[C@@H]4C3)nc2-c2cccnc2)cs1 ZINC000072396681 136169352 /nfs/dbraw/zinc/16/93/52/136169352.db2.gz FWYYTKHIZUXMHY-GOSISDBHSA-N 0 1 377.517 3.942 40 0 GHABMN c1cc(CN[C@@H]2CC3(CCN(c4ncccn4)CC3)Oc3ccccc32)co1 ZINC000096079822 136183525 /nfs/dbraw/zinc/18/35/25/136183525.db2.gz 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C[C@@H]1CCCCN1[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000036748682 570562996 /nfs/dbraw/zinc/56/29/96/570562996.db2.gz LDIYXNVMTYBEDU-XFQAVAEZSA-N 0 1 393.487 3.960 40 0 GHABMN O=C(NCc1n[nH]c(-c2ccncc2)n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000005001913 570652290 /nfs/dbraw/zinc/65/22/90/570652290.db2.gz IUXAZFSFMGEWRW-UHFFFAOYSA-N 0 1 396.760 3.861 40 0 GHABMN COc1ccc(-c2[nH]nc3c2C(C(=O)c2ccc(C)s2)CC(=O)N3)cc1OC ZINC000013997002 570869537 /nfs/dbraw/zinc/86/95/37/570869537.db2.gz WZKHVIGXWGIRQM-GFCCVEGCSA-N 0 1 397.456 3.773 40 0 GHABMN COc1ccc(-c2[nH]nc3c2[C@H](C(=O)c2ccc(C)s2)CC(=O)N3)cc1OC ZINC000013997002 570869538 /nfs/dbraw/zinc/86/95/38/570869538.db2.gz WZKHVIGXWGIRQM-GFCCVEGCSA-N 0 1 397.456 3.773 40 0 GHABMN Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cc4c(cc3C)OCO4)C2)on1 ZINC000019125570 570957824 /nfs/dbraw/zinc/95/78/24/570957824.db2.gz OUNVBOREDDZTNO-CQSZACIVSA-N 0 1 398.488 3.918 40 0 GHABMN Cc1nc2ccccc2n1C[C@@H](C)C(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000019286742 570970204 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COc1ccc(OC)c(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c1 ZINC000005520069 570500488 /nfs/dbraw/zinc/50/04/88/570500488.db2.gz GFZILGBBAODHHG-UHFFFAOYSA-N 0 1 384.461 3.528 40 0 GHABMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccccc1C(F)(F)F ZINC000071834811 570576087 /nfs/dbraw/zinc/57/60/87/570576087.db2.gz CRRDGUYLXZPQIB-UHFFFAOYSA-N 0 1 379.367 3.616 40 0 GHABMN COc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000225863762 570628326 /nfs/dbraw/zinc/62/83/26/570628326.db2.gz JBOFYXUHWMOVPD-UHFFFAOYSA-N 0 1 394.518 3.812 40 0 GHABMN Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000004895322 570637132 /nfs/dbraw/zinc/63/71/32/570637132.db2.gz VESOLRAUSROZDB-UHFFFAOYSA-N 0 1 377.492 3.632 40 0 GHABMN Cn1cnnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000585177741 570714094 /nfs/dbraw/zinc/71/40/94/570714094.db2.gz ZJDMUNZNPROCCR-FQEVSTJZSA-N 0 1 376.460 3.908 40 0 GHABMN Cn1cnnc1[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000585177741 570714096 /nfs/dbraw/zinc/71/40/96/570714096.db2.gz ZJDMUNZNPROCCR-FQEVSTJZSA-N 0 1 376.460 3.908 40 0 GHABMN CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000226258640 570935239 /nfs/dbraw/zinc/93/52/39/570935239.db2.gz RXQXROLDNWYKRE-UHFFFAOYSA-N 0 1 386.499 3.940 40 0 GHABMN O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 ZINC000019339094 570976692 /nfs/dbraw/zinc/97/66/92/570976692.db2.gz NHFMQUVJRHNPIZ-IBGZPJMESA-N 0 1 382.508 3.759 40 0 GHABMN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000019369042 570980079 /nfs/dbraw/zinc/98/00/79/570980079.db2.gz OMUYDJZYUGVSLD-WOJBJXKFSA-N 0 1 392.528 3.921 40 0 GHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2c[nH]nc2-c2ccccc2)cc1 ZINC000019662957 571026599 /nfs/dbraw/zinc/02/65/99/571026599.db2.gz JGNZYSIETYJGCI-QFIPXVFZSA-N 0 1 399.454 3.596 40 0 GHABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000007605031 856394977 /nfs/dbraw/zinc/39/49/77/856394977.db2.gz OSEQYCXBTRICES-UHFFFAOYSA-N 0 1 395.488 3.778 40 0 GHABMN CCOc1ccc([C@H](N)c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1OC ZINC000095534290 860614374 /nfs/dbraw/zinc/61/43/74/860614374.db2.gz LQOPNQWUWHHFDR-INIZCTEOSA-N 0 1 392.381 3.946 40 0 GHABMN OCCOCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000004217313 204032976 /nfs/dbraw/zinc/03/29/76/204032976.db2.gz SCMPXORBOTWFTI-UHFFFAOYSA-N 0 1 381.516 3.610 40 0 in-man GHABMN Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2[S@@]1=O ZINC000005811848 204153059 /nfs/dbraw/zinc/15/30/59/204153059.db2.gz NGHGZADNERPURJ-XGCWNURASA-N 0 1 384.501 3.750 40 0 GHABMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000005941821 204158427 /nfs/dbraw/zinc/15/84/27/204158427.db2.gz ZOAOWHPGYZFBSH-HSZRJFAPSA-N 0 1 387.479 3.740 40 0 GHABMN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000012089234 204371243 /nfs/dbraw/zinc/37/12/43/204371243.db2.gz FRVOJLFGVAITKY-MOPGFXCFSA-N 0 1 384.549 3.798 40 0 GHABMN COC(=O)c1ccc(CCC2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1 ZINC000012147686 204377349 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CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)ccc21 ZINC000072374521 205338645 /nfs/dbraw/zinc/33/86/45/205338645.db2.gz LIAXABVXQWUQBM-SFHVURJKSA-N 0 1 381.455 3.824 40 0 GHABMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 ZINC000224378940 206019258 /nfs/dbraw/zinc/01/92/58/206019258.db2.gz KJVLYPKESXVFEM-UHFFFAOYSA-N 0 1 389.473 3.552 40 0 GHABMN Cn1cncc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207711 206158648 /nfs/dbraw/zinc/15/86/48/206158648.db2.gz BIWZUKMCBZCILR-SFHVURJKSA-N 0 1 376.460 3.560 40 0 GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(CO)n[nH]2)cc1 ZINC000257280892 206172063 /nfs/dbraw/zinc/17/20/63/206172063.db2.gz OMVIJHAXTFBTNW-OAQYLSRUSA-N 0 1 377.444 3.604 40 0 GHABMN CNC(=O)c1sc2nc([C@@H]3CCCCN3Cc3cccc(C)n3)ccc2c1N ZINC000257332358 206180455 /nfs/dbraw/zinc/18/04/55/206180455.db2.gz XWYOURDVUQZKPR-KRWDZBQOSA-N 0 1 395.532 3.669 40 0 GHABMN CCC(=O)N1Cc2sc(C(C)C)nc2C2(CCN(Cc3cccnc3)CC2)C1 ZINC000306133731 206201211 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COc1ccccc1/C=C/CN1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 ZINC000019020420 570955464 /nfs/dbraw/zinc/95/54/64/570955464.db2.gz IIGDYEIWXITOIS-ISGGHPHESA-N 0 1 379.504 3.693 40 0 GHABMN Cc1cccnc1[C@@H](Cc1ccsc1)NCc1ccc(N2CCOCC2)nc1 ZINC000019237643 570967488 /nfs/dbraw/zinc/96/74/88/570967488.db2.gz BXDBZUKYNHNNNJ-HXUWFJFHSA-N 0 1 394.544 3.757 40 0 GHABMN O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000019369046 570980206 /nfs/dbraw/zinc/98/02/06/570980206.db2.gz OMUYDJZYUGVSLD-VQTJNVASSA-N 0 1 392.528 3.921 40 0 GHABMN COc1ccc2cnc(C3CCN(CC(=O)[C@@]4(C)CCCO4)CC3)cc2c1C ZINC000019582713 571014199 /nfs/dbraw/zinc/01/41/99/571014199.db2.gz RCTLHRHSXSROQP-HSZRJFAPSA-N 0 1 382.504 3.869 40 0 GHABMN Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)n[nH]2)cc1 ZINC000019666434 571027923 /nfs/dbraw/zinc/02/79/23/571027923.db2.gz VHACKICCRRJETP-IBGZPJMESA-N 0 1 376.460 3.602 40 0 GHABMN O=C1[C@H](C2CCN(Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695795 571030164 /nfs/dbraw/zinc/03/01/64/571030164.db2.gz NNGZJSZCSFUYEE-QHCPKHFHSA-N 0 1 375.516 3.899 40 0 GHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 ZINC000007604805 856393986 /nfs/dbraw/zinc/39/39/86/856393986.db2.gz MGJZUYJIRONMQC-UHFFFAOYSA-N 0 1 392.444 3.772 40 0 GHABMN COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000009063205 856409891 /nfs/dbraw/zinc/40/98/91/856409891.db2.gz DEANZBCSKLCZOX-UHFFFAOYSA-N 0 1 386.923 3.920 40 0 GHABMN c1csc(-c2nc(N3CCN4CCCC[C@H]4C3)ncc2-c2ccncc2)c1 ZINC000012338417 856419220 /nfs/dbraw/zinc/41/92/20/856419220.db2.gz ZIAUZBMIAMJAAV-KRWDZBQOSA-N 0 1 377.517 3.942 40 0 GHABMN COc1ccccc1CNc1[nH]nc2nc([C@H]3CCN(C(=O)C(C)C)C3)ccc21 ZINC000019705011 856424964 /nfs/dbraw/zinc/42/49/64/856424964.db2.gz VMKXAFHUJJXQDP-INIZCTEOSA-N 0 1 393.491 3.551 40 0 GHABMN CCn1ccnc1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713432 856428342 /nfs/dbraw/zinc/42/83/42/856428342.db2.gz AQEQTBULTCHAAS-NFBKMPQASA-N 0 1 398.526 3.978 40 0 GHABMN COc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000062716553 856824118 /nfs/dbraw/zinc/82/41/18/856824118.db2.gz VLYJZNMDXJARAX-UHFFFAOYSA-N 0 1 375.475 3.565 40 0 GHABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 ZINC000019742246 860346065 /nfs/dbraw/zinc/34/60/65/860346065.db2.gz RLWAPGLBNCJXKM-AWEZNQCLSA-N 0 1 389.381 3.926 40 0 GHABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 ZINC000015672544 1021289232 /nfs/dbraw/zinc/28/92/32/1021289232.db2.gz JUTGXTWSPQZEAA-KSZLIROESA-N 0 1 396.560 3.608 40 0 biogenic,in-vitro GHABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 ZINC000015672544 1021289240 /nfs/dbraw/zinc/28/92/40/1021289240.db2.gz JUTGXTWSPQZEAA-KSZLIROESA-N 0 1 396.560 3.608 40 0 biogenic,in-vitro GHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408590427 231070503 /nfs/dbraw/zinc/07/05/03/231070503.db2.gz GTOUTHHRFCUTNQ-UHFFFAOYSA-N 0 1 391.493 3.582 40 0 GHABMN Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2[S@]1=O ZINC000005811851 204152606 /nfs/dbraw/zinc/15/26/06/204152606.db2.gz NGHGZADNERPURJ-CRYYWNKWSA-N 0 1 384.501 3.750 40 0 GHABMN CC[C@@H]1c2ccc(C)n2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000012147504 204377588 /nfs/dbraw/zinc/37/75/88/204377588.db2.gz CLKMJFANVPCQOK-LJQANCHMSA-N 0 1 394.475 3.811 40 0 GHABMN COc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1OC ZINC000012220558 204384590 /nfs/dbraw/zinc/38/45/90/204384590.db2.gz DVCNUDPDGRIJFP-UHFFFAOYSA-N 0 1 397.519 3.681 40 0 GHABMN CCOc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)cc1 ZINC000012275822 204387600 /nfs/dbraw/zinc/38/76/00/204387600.db2.gz JRBWAEZMNKKRBD-UHFFFAOYSA-N 0 1 380.492 3.689 40 0 GHABMN COc1ccccc1C1(O)CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000012344351 204399035 /nfs/dbraw/zinc/39/90/35/204399035.db2.gz LWDXEFOBWXHWEP-UHFFFAOYSA-N 0 1 385.504 3.975 40 0 GHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc(Cl)c1 ZINC000044949636 205090902 /nfs/dbraw/zinc/09/09/02/205090902.db2.gz YPBIEOXAKFAUJF-UHFFFAOYSA-N 0 1 387.848 3.788 40 0 GHABMN COc1ccccc1C1(O)CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000057822802 205160322 /nfs/dbraw/zinc/16/03/22/205160322.db2.gz GNZQYTVHJMFHQH-UHFFFAOYSA-N 0 1 389.499 3.944 40 0 GHABMN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 ZINC000072349728 205330500 /nfs/dbraw/zinc/33/05/00/205330500.db2.gz ACIQWJXBBVHIQU-IBGZPJMESA-N 0 1 379.504 3.559 40 0 GHABMN COc1cccc(C[N@@H+]2CCC[C@H]2c2cncc([N-]c3nnc(C)s3)n2)c1 ZINC000072376263 205337588 /nfs/dbraw/zinc/33/75/88/205337588.db2.gz KDPOIENDKCTDPD-KRWDZBQOSA-N 0 1 382.493 3.726 40 0 GHABMN COc1cccc(C[N@H+]2CCC[C@H]2c2cncc([N-]c3nnc(C)s3)n2)c1 ZINC000072376263 205337591 /nfs/dbraw/zinc/33/75/91/205337591.db2.gz KDPOIENDKCTDPD-KRWDZBQOSA-N 0 1 382.493 3.726 40 0 GHABMN CCn1cc(CN2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 ZINC000072384327 205339447 /nfs/dbraw/zinc/33/94/47/205339447.db2.gz JAYIYXZRBGVGGB-SFHVURJKSA-N 0 1 378.480 3.568 40 0 GHABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223659034 206003934 /nfs/dbraw/zinc/00/39/34/206003934.db2.gz CKHLRRHHIACAIE-UHFFFAOYSA-N 0 1 389.473 3.768 40 0 GHABMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3SC)cc2sc1=O ZINC000225691540 206067347 /nfs/dbraw/zinc/06/73/47/206067347.db2.gz HNWWJWHQUREOIC-UHFFFAOYSA-N 0 1 380.516 3.606 40 0 GHABMN CNC(=O)c1sc2nccnc2c1C1CCN(Cc2ccccc2F)CC1 ZINC000257200903 206157397 /nfs/dbraw/zinc/15/73/97/206157397.db2.gz AFHMANUZFXAULU-UHFFFAOYSA-N 0 1 384.480 3.570 40 0 GHABMN CC(C)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227803 206162563 /nfs/dbraw/zinc/16/25/63/206162563.db2.gz FQYPUXBFSVZWGL-GOSISDBHSA-N 0 1 383.414 3.832 40 0 GHABMN O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306143107 206207659 /nfs/dbraw/zinc/20/76/59/206207659.db2.gz XTIQFCLEPXALJV-WOJBJXKFSA-N 0 1 381.476 3.770 40 0 GHABMN CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2cnn(C)c2)CC1 ZINC000306126306 206197768 /nfs/dbraw/zinc/19/77/68/206197768.db2.gz DSCJIAHDOGGAPE-UHFFFAOYSA-N 0 1 377.492 3.748 40 0 GHABMN Cc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)s1 ZINC000306135472 206202916 /nfs/dbraw/zinc/20/29/16/206202916.db2.gz ORXZMWIGRJASHV-RTBURBONSA-N 0 1 398.557 3.704 40 0 GHABMN Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000113969225 136192140 /nfs/dbraw/zinc/19/21/40/136192140.db2.gz VDBAAOPNGNKOHL-MRXNPFEDSA-N 0 1 387.911 3.806 40 0 GHABMN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408554610 529112338 /nfs/dbraw/zinc/11/23/38/529112338.db2.gz CRVWJJXMKVDHTD-UHFFFAOYSA-N 0 1 384.841 3.718 40 0 GHABMN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113970835 536044119 /nfs/dbraw/zinc/04/41/19/536044119.db2.gz LNGHSMZYXBWAJW-QFIPXVFZSA-N 0 1 381.520 3.851 40 0 GHABMN Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763295 570217267 /nfs/dbraw/zinc/21/72/67/570217267.db2.gz BFRARNMHVGOGKO-LJQANCHMSA-N 0 1 396.510 3.930 40 0 GHABMN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020109043 570240399 /nfs/dbraw/zinc/24/03/99/570240399.db2.gz FROIYUISQMXCCU-UHFFFAOYSA-N 0 1 399.497 3.857 40 0 GHABMN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023633525 570301014 /nfs/dbraw/zinc/30/10/14/570301014.db2.gz SSYBLIKKSQBNIM-RXVVDRJESA-N 0 1 386.511 3.901 40 0 GHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000026529549 570426640 /nfs/dbraw/zinc/42/66/40/570426640.db2.gz IOJOFCMJHXONMT-UHFFFAOYSA-N 0 1 390.244 3.589 40 0 GHABMN CC(C)(C)c1nc2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2[nH]1 ZINC000019083427 570956269 /nfs/dbraw/zinc/95/62/69/570956269.db2.gz SRAJMBFWXNEWMD-UHFFFAOYSA-N 0 1 390.447 3.877 40 0 GHABMN O=C(NCc1n[nH]c(-c2ccncc2)n1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000019332919 570975492 /nfs/dbraw/zinc/97/54/92/570975492.db2.gz WNMYMLOSFZLBFG-UHFFFAOYSA-N 0 1 381.867 3.648 40 0 GHABMN Fc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1F ZINC000019344953 570977729 /nfs/dbraw/zinc/97/77/29/570977729.db2.gz LTMYJVFLTFCUAN-CQSZACIVSA-N 0 1 375.448 3.592 40 0 GHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1)c1cccs1 ZINC000019401610 570982873 /nfs/dbraw/zinc/98/28/73/570982873.db2.gz MQAGNCNAZRSNQH-UTKZUKDTSA-N 0 1 392.528 3.921 40 0 GHABMN Cc1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C ZINC000019687408 571028650 /nfs/dbraw/zinc/02/86/50/571028650.db2.gz MIYIBCJQQWGUQS-HXUWFJFHSA-N 0 1 394.498 3.728 40 0 GHABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1C ZINC000007468828 856392452 /nfs/dbraw/zinc/39/24/52/856392452.db2.gz BGKIFQNJVKNNFD-CPNJWEJPSA-N 0 1 391.471 3.807 40 0 GHABMN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000253591091 871892415 /nfs/dbraw/zinc/89/24/15/871892415.db2.gz JCOVILCFVSITPQ-ZTNFWEORSA-N 0 1 398.551 3.583 40 0 GHABMN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000247935201 880089956 /nfs/dbraw/zinc/08/99/56/880089956.db2.gz RWQSLEIHKWWOHZ-MRUHUIDDSA-N 0 1 386.879 3.502 40 0 GHABMN COC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008306815 204270153 /nfs/dbraw/zinc/27/01/53/204270153.db2.gz OHMMGZCPRWZPRK-SFHVURJKSA-N 0 1 386.473 3.611 40 0 GHABMN O=C(c1cccnc1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000019703600 204671872 /nfs/dbraw/zinc/67/18/72/204671872.db2.gz QPVLWKRGGMNZAJ-FQEVSTJZSA-N 0 1 380.423 3.543 40 0 GHABMN Cc1cc(-c2cncnc2)cc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 ZINC000072353664 205332525 /nfs/dbraw/zinc/33/25/25/205332525.db2.gz PZVCGVXOXAHBGW-INIZCTEOSA-N 0 1 390.491 3.713 40 0 GHABMN Cc1nc(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cs1 ZINC000072380375 205339432 /nfs/dbraw/zinc/33/94/32/205339432.db2.gz KXFYHHBMXFGEAJ-HNNXBMFYSA-N 0 1 384.480 3.929 40 0 GHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223659277 206004980 /nfs/dbraw/zinc/00/49/80/206004980.db2.gz VFKYLBGABIJMMC-UHFFFAOYSA-N 0 1 377.462 3.608 40 0 GHABMN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000225673642 206065796 /nfs/dbraw/zinc/06/57/96/206065796.db2.gz UKPJEMARIUFXKC-GOSISDBHSA-N 0 1 393.531 3.723 40 0 GHABMN COc1cccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000096269018 206120497 /nfs/dbraw/zinc/12/04/97/206120497.db2.gz COZMEEJEUVWOFN-LJQANCHMSA-N 0 1 381.394 3.994 40 0 biogenic,in-vitro GHABMN COc1ccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000096269017 206120588 /nfs/dbraw/zinc/12/05/88/206120588.db2.gz JUNGZYSBVRRGSH-LJQANCHMSA-N 0 1 381.394 3.994 40 0 biogenic,in-vitro GHABMN C[C@]1(c2cc[nH]n2)C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257301719 206174731 /nfs/dbraw/zinc/17/47/31/206174731.db2.gz RZPYMSWDMYDJSL-JOCHJYFZSA-N 0 1 377.444 3.523 40 0 GHABMN C[C@]1(c2cc[nH]n2)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257301719 206174734 /nfs/dbraw/zinc/17/47/34/206174734.db2.gz RZPYMSWDMYDJSL-JOCHJYFZSA-N 0 1 377.444 3.523 40 0 GHABMN CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2ccccn2)CC1 ZINC000257317443 206178051 /nfs/dbraw/zinc/17/80/51/206178051.db2.gz VJTRXTZXPVRYRR-UHFFFAOYSA-N 0 1 380.517 3.773 40 0 GHABMN COc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN(C)C ZINC000257318669 206178134 /nfs/dbraw/zinc/17/81/34/206178134.db2.gz VOYLCFAHHOTYAH-AJCSZOCDSA-N 0 1 388.552 3.918 40 0 GHABMN COc1ncccc1CN1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 ZINC000306135813 206204020 /nfs/dbraw/zinc/20/40/20/206204020.db2.gz PBUIMRCZGKDCMS-DEOSSOPVSA-N 0 1 386.499 3.649 40 0 GHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000019288905 221405382 /nfs/dbraw/zinc/40/53/82/221405382.db2.gz YAPFCYBGHRXHTD-QGZVFWFLSA-N 0 1 396.510 3.663 40 0 GHABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675794 560094856 /nfs/dbraw/zinc/09/48/56/560094856.db2.gz OVLCZUVPGWBFPT-INIZCTEOSA-N 0 1 391.456 3.769 40 0 biogenic,in-vitro GHABMN CC(C)CCN1[C@@]2(CCN(Cc3ccccc3)C2)c2ccccc2S1(=O)=O ZINC000096143267 570213534 /nfs/dbraw/zinc/21/35/34/570213534.db2.gz HMKBRGNAVDKLCI-JOCHJYFZSA-N 0 1 384.545 3.838 40 0 GHABMN Brc1ccc(CNc2cc(C3CC3)nc(NC3CCCC3)n2)cc1 ZINC000329054829 570215636 /nfs/dbraw/zinc/21/56/36/570215636.db2.gz VLVGUCMBLSZWGW-UHFFFAOYSA-N 0 1 387.325 3.927 40 0 GHABMN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763297 570217341 /nfs/dbraw/zinc/21/73/41/570217341.db2.gz BFRARNMHVGOGKO-IBGZPJMESA-N 0 1 396.510 3.930 40 0 GHABMN COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3CC(C)C)nc2C)c1 ZINC000019764362 570217392 /nfs/dbraw/zinc/21/73/92/570217392.db2.gz KAKRSQAUWLVYAU-OAQYLSRUSA-N 0 1 396.535 3.907 40 0 GHABMN Clc1ccc(CN2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244102 570223827 /nfs/dbraw/zinc/22/38/27/570223827.db2.gz CUTXCCRLRSDARH-OAQYLSRUSA-N 0 1 384.911 3.626 40 0 GHABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1C ZINC000408624929 570375940 /nfs/dbraw/zinc/37/59/40/570375940.db2.gz UOBPSZONOKOKFS-UHFFFAOYSA-N 0 1 386.395 3.564 40 0 GHABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2o1 ZINC000223326667 570458511 /nfs/dbraw/zinc/45/85/11/570458511.db2.gz FQSOUWUTTVHOCY-UHFFFAOYSA-N 0 1 392.742 3.594 40 0 GHABMN O=C(NCc1n[nH]c(-c2ccncc2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005001912 570652192 /nfs/dbraw/zinc/65/21/92/570652192.db2.gz FHHBSJKNXRXEPQ-UHFFFAOYSA-N 0 1 396.760 3.861 40 0 GHABMN Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781104 570806967 /nfs/dbraw/zinc/80/69/67/570806967.db2.gz XNYWUQYZSONDEQ-QFIPXVFZSA-N 0 1 396.575 3.850 40 0 GHABMN Cc1cccnc1[C@H](Cc1ccsc1)NCc1ccc(N2CCOCC2)nc1 ZINC000019237644 570967287 /nfs/dbraw/zinc/96/72/87/570967287.db2.gz BXDBZUKYNHNNNJ-FQEVSTJZSA-N 0 1 394.544 3.757 40 0 GHABMN O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000019401679 570982793 /nfs/dbraw/zinc/98/27/93/570982793.db2.gz AOZKHQNTNITMQI-SFHVURJKSA-N 0 1 382.508 3.759 40 0 GHABMN COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 ZINC000019551767 571001316 /nfs/dbraw/zinc/00/13/16/571001316.db2.gz QCLHTFVPTCGQQD-CYBMUJFWSA-N 0 1 391.397 3.589 40 0 GHABMN COc1cccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019565237 571007582 /nfs/dbraw/zinc/00/75/82/571007582.db2.gz ZLBMPQVSIVCJIY-FQEVSTJZSA-N 0 1 376.460 3.980 40 0 GHABMN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053435 571098070 /nfs/dbraw/zinc/09/80/70/571098070.db2.gz FCPURGSYLPJMNR-IBGZPJMESA-N 0 1 391.515 3.651 40 0 GHABMN CCOc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1O ZINC000006958563 856387215 /nfs/dbraw/zinc/38/72/15/856387215.db2.gz BETCZXBIEXUCNQ-MHIFHRFWSA-N 0 1 393.465 3.788 40 0 GHABMN O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 ZINC000012089241 856418716 /nfs/dbraw/zinc/41/87/16/856418716.db2.gz ROSVHNIZALBHPU-RBUKOAKNSA-N 0 1 384.549 3.798 40 0 GHABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OC)cc3OC)C(=O)NC2=S)cc1 ZINC000033741597 856439802 /nfs/dbraw/zinc/43/98/02/856439802.db2.gz HMBQOSDCJNRKOH-GZTJUZNOSA-N 0 1 396.468 3.938 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)cc1C ZINC000408547281 231056130 /nfs/dbraw/zinc/05/61/30/231056130.db2.gz YFXAZSPULBWUBH-UHFFFAOYSA-N 0 1 378.881 3.650 40 0 GHABMN Cc1c(C(=O)N2CCC(O)(c3cccc(C)c3)CC2)n[nH]c1-c1ccccc1 ZINC000012116952 204371974 /nfs/dbraw/zinc/37/19/74/204371974.db2.gz ZPIHJFMBCOPUIT-UHFFFAOYSA-N 0 1 375.472 3.817 40 0 GHABMN C[C@H](O)CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000012116734 204372662 /nfs/dbraw/zinc/37/26/62/204372662.db2.gz HWTXOFOJCIZJMA-AWEZNQCLSA-N 0 1 399.878 3.842 40 0 GHABMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1nccc2ccccc21 ZINC000012144607 204375331 /nfs/dbraw/zinc/37/53/31/204375331.db2.gz FMMRPMLZEQHBJC-UHFFFAOYSA-N 0 1 377.835 3.646 40 0 GHABMN COc1ccccc1[C@@]1(O)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2C)C1 ZINC000012147529 204377480 /nfs/dbraw/zinc/37/74/80/204377480.db2.gz AJRJHXYMMJESFG-HSZRJFAPSA-N 0 1 391.471 3.518 40 0 GHABMN O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012199366 204383083 /nfs/dbraw/zinc/38/30/83/204383083.db2.gz ZFRRLGXIPYONAI-NRFANRHFSA-N 0 1 395.478 3.519 40 0 GHABMN Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072353959 205332062 /nfs/dbraw/zinc/33/20/62/205332062.db2.gz TXKSENVLLIOWOG-NRFANRHFSA-N 0 1 395.522 3.922 40 0 GHABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000223676062 206004311 /nfs/dbraw/zinc/00/43/11/206004311.db2.gz NVHKKDJSXKEEIT-UHFFFAOYSA-N 0 1 377.462 3.678 40 0 GHABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C ZINC000224551788 206023554 /nfs/dbraw/zinc/02/35/54/206023554.db2.gz UHYPUDFCSKELRQ-UHFFFAOYSA-N 0 1 384.495 3.850 40 0 GHABMN CCc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306138315 206206113 /nfs/dbraw/zinc/20/61/13/206206113.db2.gz RUTOLGOODDLMPX-GOTSBHOMSA-N 0 1 386.499 3.527 40 0 GHABMN CN(C)C(=O)N1CC[C@]2(C1)CN(CC1CC1)Cc1sc(-c3ccccc3)nc12 ZINC000306136614 206202636 /nfs/dbraw/zinc/20/26/36/206202636.db2.gz PYLBBTIBYCDZCK-JOCHJYFZSA-N 0 1 396.560 3.661 40 0 GHABMN COC(=O)c1c2c(sc1NS(=O)(=O)c1c(C)cc(C)cc1C)CCC2 ZINC000408617523 533705536 /nfs/dbraw/zinc/70/55/36/533705536.db2.gz GUNSEPRCVJQWNC-UHFFFAOYSA-N 0 1 379.503 3.749 40 0 GHABMN Cc1ccc2nc(Cc3ccc(NC(=O)Cc4nnc(C(C)C)[nH]4)cc3)[nH]c2c1 ZINC000019718513 570209848 /nfs/dbraw/zinc/20/98/48/570209848.db2.gz DHPVSOOKXJFNDL-UHFFFAOYSA-N 0 1 388.475 3.885 40 0 GHABMN C[C@@]1(CNC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC000019745366 570213654 /nfs/dbraw/zinc/21/36/54/570213654.db2.gz YJBMDOPVBKFCII-FQEVSTJZSA-N 0 1 398.469 3.993 40 0 GHABMN CCNc1nc(C(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329068344 570216379 /nfs/dbraw/zinc/21/63/79/570216379.db2.gz YPVFNOIFPAIOIO-UHFFFAOYSA-N 0 1 375.314 3.779 40 0 GHABMN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(Cc2ccc(Cl)cc2)C1 ZINC000096244520 570224173 /nfs/dbraw/zinc/22/41/73/570224173.db2.gz NKRCMKABPPZXRA-JOCHJYFZSA-N 0 1 398.938 3.934 40 0 GHABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000216051577 570295319 /nfs/dbraw/zinc/29/53/19/570295319.db2.gz YCVVCGTYILSVDS-UHFFFAOYSA-N 0 1 396.472 3.688 40 0 GHABMN Cc1nc(N2CCC(C(=O)[O-])CC2)cc(Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000217361722 570315119 /nfs/dbraw/zinc/31/51/19/570315119.db2.gz UPGVEEJQWMTXBR-UHFFFAOYSA-N 0 1 380.370 3.848 40 0 GHABMN Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCC(C(=O)[O-])CC2)[nH+]1 ZINC000217361722 570315123 /nfs/dbraw/zinc/31/51/23/570315123.db2.gz UPGVEEJQWMTXBR-UHFFFAOYSA-N 0 1 380.370 3.848 40 0 GHABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(C)s2)no1 ZINC000006680194 570674275 /nfs/dbraw/zinc/67/42/75/570674275.db2.gz PMGOARXNIIIPHH-UHFFFAOYSA-N 0 1 391.474 3.714 40 0 GHABMN COc1c(C)cccc1CN1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019235981 570966408 /nfs/dbraw/zinc/96/64/08/570966408.db2.gz QLEYLKZPFOBJHV-FQEVSTJZSA-N 0 1 390.487 3.876 40 0 GHABMN O=C1NCCN(Cc2ccc(F)cc2)C[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000019331502 570975139 /nfs/dbraw/zinc/97/51/39/570975139.db2.gz CJAXNIZYYZIDQH-QFIPXVFZSA-N 0 1 389.474 3.678 40 0 GHABMN O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000019365933 570980196 /nfs/dbraw/zinc/98/01/96/570980196.db2.gz XQNGBFJNJXVYJR-DHIUTWEWSA-N 0 1 378.516 3.797 40 0 GHABMN CC(C)c1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019454058 570986819 /nfs/dbraw/zinc/98/68/19/570986819.db2.gz LRGAVFMOTZRCKH-INIZCTEOSA-N 0 1 395.532 3.791 40 0 GHABMN CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019533271 570999747 /nfs/dbraw/zinc/99/97/47/570999747.db2.gz AQZNOPHEFIWMCT-NRFANRHFSA-N 0 1 390.487 3.958 40 0 GHABMN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCC2)n1 ZINC000019697373 571030433 /nfs/dbraw/zinc/03/04/33/571030433.db2.gz VWDMOOHQBJTBOO-HNNXBMFYSA-N 0 1 397.498 3.552 40 0 GHABMN COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl ZINC000032588087 856437149 /nfs/dbraw/zinc/43/71/49/856437149.db2.gz OBLUTAMZMPPADW-UHFFFAOYSA-N 0 1 392.260 3.820 40 0 GHABMN Cn1c2ccccc2nc1CN1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712597 860328222 /nfs/dbraw/zinc/32/82/22/860328222.db2.gz ZOYBDUOGIZXWII-VNZMSGEBSA-N 0 1 388.515 3.600 40 0 GHABMN CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O ZINC000408810744 530046352 /nfs/dbraw/zinc/04/63/52/530046352.db2.gz LDJJGOKWWZIKBN-BAQGIRSFSA-N 0 1 393.056 3.583 40 0 GHABMN O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)Nc1ccccc1 ZINC000008623263 291134632 /nfs/dbraw/zinc/13/46/32/291134632.db2.gz XHLTWWDSKQNPBD-TUNNFDKTSA-N 0 1 390.531 3.581 40 0 biogenic,in-vitro GHABMN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000005851001 204154619 /nfs/dbraw/zinc/15/46/19/204154619.db2.gz FRNBXOLEYIPXGD-NTEUORMPSA-N 0 1 393.468 3.843 40 0 GHABMN CCn1c(CN2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 ZINC000012087318 204370554 /nfs/dbraw/zinc/37/05/54/204370554.db2.gz JXHQAHUBKMAOHR-QGZVFWFLSA-N 0 1 387.491 3.616 40 0 GHABMN Cc1c(C(=O)N2CCCN(Cc3cccc(F)c3)CC2)n[nH]c1-c1ccccc1 ZINC000012147475 204377594 /nfs/dbraw/zinc/37/75/94/204377594.db2.gz XPJNUOQKKYKSGC-UHFFFAOYSA-N 0 1 392.478 3.872 40 0 GHABMN CCc1[nH]c2ccc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C ZINC000012203711 204382267 /nfs/dbraw/zinc/38/22/67/204382267.db2.gz HISSEDXBQZJDRK-HXUWFJFHSA-N 0 1 393.487 3.800 40 0 GHABMN O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000039426859 205043357 /nfs/dbraw/zinc/04/33/57/205043357.db2.gz UQHZDMDBHAGRQG-UHFFFAOYSA-N 0 1 399.497 3.613 40 0 GHABMN CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 ZINC000072384371 205338908 /nfs/dbraw/zinc/33/89/08/205338908.db2.gz XROROPFXYUFFSI-HXUWFJFHSA-N 0 1 384.455 3.556 40 0 GHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(OC(C)C)c2)c1 ZINC000223842657 206007638 /nfs/dbraw/zinc/00/76/38/206007638.db2.gz QRAZLSUOESJPSD-UHFFFAOYSA-N 0 1 383.853 3.715 40 0 GHABMN O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(Oc2ccccc2)cc1 ZINC000224272446 206018258 /nfs/dbraw/zinc/01/82/58/206018258.db2.gz ZQCDRZJZOOVXKG-UHFFFAOYSA-N 0 1 396.472 3.670 40 0 GHABMN CSc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000224836837 206028519 /nfs/dbraw/zinc/02/85/19/206028519.db2.gz XMBVSSCNNFQLRN-UHFFFAOYSA-N 0 1 382.942 3.764 40 0 GHABMN CNC(=O)c1sc2nc([C@H]3CCCN3Cc3ccc(F)cc3)ccc2c1N ZINC000257288508 206172590 /nfs/dbraw/zinc/17/25/90/206172590.db2.gz PUKKBDAHCNWABQ-MRXNPFEDSA-N 0 1 384.480 3.714 40 0 GHABMN Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2Cc2ncccc2F)cn1 ZINC000257264428 206169963 /nfs/dbraw/zinc/16/99/63/206169963.db2.gz LUHYUOYOYSWYPS-KRWDZBQOSA-N 0 1 381.455 3.880 40 0 GHABMN Cc1nc([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)cc(=O)[nH]1 ZINC000257270777 206170525 /nfs/dbraw/zinc/17/05/25/206170525.db2.gz MVPXGJIZJJSWDB-SFHVURJKSA-N 0 1 389.455 3.845 40 0 GHABMN Cc1noc(C)c1-c1cc(C2CCN(Cc3cnc(C)cn3)CC2)nc(C)n1 ZINC000257323850 206179247 /nfs/dbraw/zinc/17/92/47/206179247.db2.gz WMBQBKGHWNYVEN-UHFFFAOYSA-N 0 1 378.480 3.535 40 0 GHABMN O=C(CN1CCCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257340812 206181052 /nfs/dbraw/zinc/18/10/52/206181052.db2.gz ZHPRAHCNGMKLLF-HXUWFJFHSA-N 0 1 385.483 3.944 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccc1 ZINC000306138002 206205136 /nfs/dbraw/zinc/20/51/36/206205136.db2.gz RMKDPPYETDNTHO-VXKWHMMOSA-N 0 1 375.447 3.709 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306129170 206199608 /nfs/dbraw/zinc/19/96/08/206199608.db2.gz HWGPXEURTVRUQT-VXKWHMMOSA-N 0 1 393.437 3.848 40 0 GHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 ZINC000123781047 533201141 /nfs/dbraw/zinc/20/11/41/533201141.db2.gz ZYRREXAJXWKEQF-UHFFFAOYSA-N 0 1 397.485 3.821 40 0 GHABMN CCN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229291 136167659 /nfs/dbraw/zinc/16/76/59/136167659.db2.gz LFVRNOCUOYWVPV-UHFFFAOYSA-N 0 1 393.318 3.970 40 0 GHABMN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113950428 535817667 /nfs/dbraw/zinc/81/76/67/535817667.db2.gz NTCUPOQSPGPBII-JOCHJYFZSA-N 0 1 381.520 3.851 40 0 GHABMN Cn1c2ccccc2nc1C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000514289891 560031361 /nfs/dbraw/zinc/03/13/61/560031361.db2.gz POBOQTGBPOEIIQ-OALUTQOASA-N 0 1 377.488 3.729 40 0 biogenic,in-vitro GHABMN COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289092 560033282 /nfs/dbraw/zinc/03/32/82/560033282.db2.gz NYHJTSBZNYSUOS-HOTGVXAUSA-N 0 1 385.508 3.860 40 0 biogenic,in-vitro GHABMN COc1ccc2nc(C[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289092 560033283 /nfs/dbraw/zinc/03/32/83/560033283.db2.gz NYHJTSBZNYSUOS-HOTGVXAUSA-N 0 1 385.508 3.860 40 0 biogenic,in-vitro GHABMN COc1ccc2nc(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289092 560033284 /nfs/dbraw/zinc/03/32/84/560033284.db2.gz NYHJTSBZNYSUOS-HOTGVXAUSA-N 0 1 385.508 3.860 40 0 biogenic,in-vitro GHABMN O=C(Cc1nc2ccc(Cl)cc2[nH]1)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000019718979 570210233 /nfs/dbraw/zinc/21/02/33/570210233.db2.gz TXXCOFHTSAKJJC-UHFFFAOYSA-N 0 1 383.814 3.781 40 0 GHABMN Brc1ccccc1CNc1cc(C2CC2)nc(NC2CCCC2)n1 ZINC000328984500 570210930 /nfs/dbraw/zinc/21/09/30/570210930.db2.gz HNOFOTNCWJNOER-UHFFFAOYSA-N 0 1 387.325 3.927 40 0 GHABMN CN(Cc1ccc2ncccc2c1)C(=O)CC1CCN(Cc2ccccn2)CC1 ZINC000019748213 570214317 /nfs/dbraw/zinc/21/43/17/570214317.db2.gz HYVVFGQHFBRHBG-UHFFFAOYSA-N 0 1 388.515 3.891 40 0 GHABMN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096220871 570219913 /nfs/dbraw/zinc/21/99/13/570219913.db2.gz DOGRMEQXAKJMJO-FQEVSTJZSA-N 0 1 399.922 3.631 40 0 GHABMN COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039760816 570445686 /nfs/dbraw/zinc/44/56/86/570445686.db2.gz ZBHJBBHVVHCNJU-UHFFFAOYSA-N 0 1 386.879 3.977 40 0 GHABMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccccc3)o2)c1 ZINC000007540524 570760486 /nfs/dbraw/zinc/76/04/86/570760486.db2.gz WLQFUCKUAPRSKR-UHFFFAOYSA-N 0 1 379.412 3.810 40 0 GHABMN O=c1c2c(O)cc(-c3ccc(Cl)cc3)[nH]c-2nn1-c1nc2ccccc2s1 ZINC000010152710 570783210 /nfs/dbraw/zinc/78/32/10/570783210.db2.gz KJKAMUDPZYZEKT-UHFFFAOYSA-N 0 1 394.843 3.937 40 0 GHABMN COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019565234 571007412 /nfs/dbraw/zinc/00/74/12/571007412.db2.gz ZLBMPQVSIVCJIY-HXUWFJFHSA-N 0 1 376.460 3.980 40 0 GHABMN O=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NC1CC1 ZINC000096052978 571097556 /nfs/dbraw/zinc/09/75/56/571097556.db2.gz BOIFNBVFJHWSPP-INIZCTEOSA-N 0 1 381.545 3.833 40 0 GHABMN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053327 571097910 /nfs/dbraw/zinc/09/79/10/571097910.db2.gz FAARRGCDMSPHDC-HXUWFJFHSA-N 0 1 393.531 3.897 40 0 GHABMN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053326 571098027 /nfs/dbraw/zinc/09/80/27/571098027.db2.gz DHQJVQDYQXSBSW-IBGZPJMESA-N 0 1 393.531 3.897 40 0 GHABMN CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C(C)C ZINC000006439478 856381296 /nfs/dbraw/zinc/38/12/96/856381296.db2.gz NPVMNUOVAAGICJ-WOJGMQOQSA-N 0 1 396.443 3.772 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c(C)c1 ZINC000409380308 231198738 /nfs/dbraw/zinc/19/87/38/231198738.db2.gz BWCYEGKHJGDROZ-UHFFFAOYSA-N 0 1 380.897 3.896 40 0 GHABMN Cc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)c(C)nc12 ZINC000012203763 204382565 /nfs/dbraw/zinc/38/25/65/204382565.db2.gz XDHLYGAUNGUPCT-IBGZPJMESA-N 0 1 391.471 3.613 40 0 GHABMN COc1ccc2nc(CN3CCC(O)(c4ccccc4OC)CC3)ccc2c1 ZINC000012293062 204389722 /nfs/dbraw/zinc/38/97/22/204389722.db2.gz ZPMPKSSYDWMWKK-UHFFFAOYSA-N 0 1 378.472 3.736 40 0 GHABMN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293725 204390034 /nfs/dbraw/zinc/39/00/34/204390034.db2.gz WAINOKZUJMAMQA-UXHICEINSA-N 0 1 389.442 3.657 40 0 GHABMN COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000012328262 204398682 /nfs/dbraw/zinc/39/86/82/204398682.db2.gz ZZGDXMGKUMENNN-UHFFFAOYSA-N 0 1 380.448 3.528 40 0 GHABMN COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)c1 ZINC000012337787 204399362 /nfs/dbraw/zinc/39/93/62/204399362.db2.gz NZKGVIBCHGUNNK-LJQANCHMSA-N 0 1 396.491 3.796 40 0 GHABMN COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)c1 ZINC000012337787 204399364 /nfs/dbraw/zinc/39/93/64/204399364.db2.gz NZKGVIBCHGUNNK-LJQANCHMSA-N 0 1 396.491 3.796 40 0 GHABMN CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=[NH+]CCc3ccc(C(C)(C)C)cc32)C1 ZINC000049590556 205127901 /nfs/dbraw/zinc/12/79/01/205127901.db2.gz YOZGBGRHSKBIKA-ROUUACIJSA-N 0 1 384.520 3.679 40 0 biogenic,in-vitro GHABMN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccc(O)c3)C2)no1 ZINC000072352775 205332011 /nfs/dbraw/zinc/33/20/11/205332011.db2.gz ORNIUOBAUFAJBQ-QGZVFWFLSA-N 0 1 383.492 3.822 40 0 GHABMN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccc(O)c3)C2)no1 ZINC000072352774 205332971 /nfs/dbraw/zinc/33/29/71/205332971.db2.gz ORNIUOBAUFAJBQ-KRWDZBQOSA-N 0 1 383.492 3.822 40 0 GHABMN COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)c2)c1 ZINC000072370059 205336470 /nfs/dbraw/zinc/33/64/70/205336470.db2.gz PYLJBPLFDYPJJL-HXUWFJFHSA-N 0 1 393.531 3.867 40 0 GHABMN Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccccc4F)CC3)ccc21 ZINC000225056056 206035536 /nfs/dbraw/zinc/03/55/36/206035536.db2.gz WWMUUZUVMZQLHW-UHFFFAOYSA-N 0 1 399.491 3.590 40 0 GHABMN CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000257301390 206175259 /nfs/dbraw/zinc/17/52/59/206175259.db2.gz RYHDCJDAINKZOR-QGZVFWFLSA-N 0 1 377.492 3.651 40 0 GHABMN C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)CN2CCCCC2)C1 ZINC000257275500 206170757 /nfs/dbraw/zinc/17/07/57/206170757.db2.gz NPRAYKKQAWTIAH-QHCPKHFHSA-N 0 1 399.510 3.771 40 0 GHABMN C[C@@H](O)CN(Cc1cccn1-c1ccccc1F)Cc1ccc2c(c1)OCO2 ZINC000012118141 221152714 /nfs/dbraw/zinc/15/27/14/221152714.db2.gz CAGMVSXZJXNPTQ-MRXNPFEDSA-N 0 1 382.435 3.728 40 0 GHABMN CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000408543519 528443580 /nfs/dbraw/zinc/44/35/80/528443580.db2.gz DZOCIVKOIOGYRY-UHFFFAOYSA-N 0 1 380.897 3.897 40 0 GHABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(OC)cc2)n1 ZINC000408527003 528700513 /nfs/dbraw/zinc/70/05/13/528700513.db2.gz IXMRPMWHNINIIO-UHFFFAOYSA-N 0 1 384.461 3.610 40 0 GHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000408594458 528747126 /nfs/dbraw/zinc/74/71/26/528747126.db2.gz SEMFDOCBUCXLDP-UHFFFAOYSA-N 0 1 391.493 3.760 40 0 GHABMN O=C([O-])C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514290289 560029690 /nfs/dbraw/zinc/02/96/90/560029690.db2.gz WIVHUJHVKUPSSU-OALUTQOASA-N 0 1 392.503 3.546 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514290289 560029691 /nfs/dbraw/zinc/02/96/91/560029691.db2.gz WIVHUJHVKUPSSU-OALUTQOASA-N 0 1 392.503 3.546 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514290289 560029692 /nfs/dbraw/zinc/02/96/92/560029692.db2.gz WIVHUJHVKUPSSU-OALUTQOASA-N 0 1 392.503 3.546 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514290289 560029693 /nfs/dbraw/zinc/02/96/93/560029693.db2.gz WIVHUJHVKUPSSU-OALUTQOASA-N 0 1 392.503 3.546 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514290289 560029694 /nfs/dbraw/zinc/02/96/94/560029694.db2.gz WIVHUJHVKUPSSU-OALUTQOASA-N 0 1 392.503 3.546 40 0 biogenic,in-vitro GHABMN Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096216037 570219504 /nfs/dbraw/zinc/21/95/04/570219504.db2.gz LQHAJEZZABWAEI-HSZRJFAPSA-N 0 1 392.503 3.901 40 0 GHABMN Cc1cccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000027386133 570434159 /nfs/dbraw/zinc/43/41/59/570434159.db2.gz UQXRWFYIVPGOFJ-HSZRJFAPSA-N 0 1 376.500 3.710 40 0 GHABMN Cc1cccc(N2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000027386121 570434206 /nfs/dbraw/zinc/43/42/06/570434206.db2.gz LYVGGIYZANVOGQ-JOCHJYFZSA-N 0 1 376.500 3.710 40 0 GHABMN O=C(c1ccccc1NS(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013612057 570762409 /nfs/dbraw/zinc/76/24/09/570762409.db2.gz FJIYCZGSAKGFKF-UHFFFAOYSA-N 0 1 378.453 3.690 40 0 GHABMN O=C1NC(=Cc2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 ZINC000016488335 570926143 /nfs/dbraw/zinc/92/61/43/570926143.db2.gz KUGBPWCXJCXRGT-NTUHNPAUSA-N 0 1 393.624 3.905 40 0 GHABMN O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1Cc1c(Cl)cccc1Cl ZINC000585109052 570941067 /nfs/dbraw/zinc/94/10/67/570941067.db2.gz QGTSLGINNBGBEI-ROUUACIJSA-N 0 1 376.287 3.764 40 0 GHABMN O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000019365929 570980225 /nfs/dbraw/zinc/98/02/25/570980225.db2.gz XQNGBFJNJXVYJR-GOTSBHOMSA-N 0 1 378.516 3.797 40 0 GHABMN O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1 ZINC000019405238 570983381 /nfs/dbraw/zinc/98/33/81/570983381.db2.gz SFQHBILQCDUTJC-IBGZPJMESA-N 0 1 382.508 3.759 40 0 GHABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495976 570989551 /nfs/dbraw/zinc/98/95/51/570989551.db2.gz YZMSIZQOZDUXKP-MKJPBZQASA-N 0 1 398.551 3.583 40 0 GHABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495976 570989553 /nfs/dbraw/zinc/98/95/53/570989553.db2.gz YZMSIZQOZDUXKP-MKJPBZQASA-N 0 1 398.551 3.583 40 0 GHABMN Cc1nc(N2CCCC2)sc1C(=O)NC[C@@H](c1cccc(Cl)c1)N(C)C ZINC000019663607 571026885 /nfs/dbraw/zinc/02/68/85/571026885.db2.gz YTBZGUXFVRTTQY-INIZCTEOSA-N 0 1 392.956 3.738 40 0 GHABMN CCOc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)cc1 ZINC000019715085 571036751 /nfs/dbraw/zinc/03/67/51/571036751.db2.gz KJHULUOYZWJXQU-IBGZPJMESA-N 0 1 377.444 3.608 40 0 GHABMN CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CC2)n1 ZINC000328967544 571047927 /nfs/dbraw/zinc/04/79/27/571047927.db2.gz CUXILAFIANEGQF-UHFFFAOYSA-N 0 1 387.325 3.921 40 0 GHABMN COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@@H+](Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000248205044 870317873 /nfs/dbraw/zinc/31/78/73/870317873.db2.gz ZMAOSUYZYDLIEB-KKLQWCBXSA-N 0 1 381.520 3.728 40 0 GHABMN O=c1nc(CSc2nc(-c3ccco3)n[nH]2)[nH]c2sc3c(c21)CCCC3 ZINC000408582217 231066604 /nfs/dbraw/zinc/06/66/04/231066604.db2.gz MLDIGJHMHDPBRP-UHFFFAOYSA-N 0 1 385.474 3.946 40 0 GHABMN O=C1N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 ZINC000409017124 231146656 /nfs/dbraw/zinc/14/66/56/231146656.db2.gz WVLDISMAEBOXPO-MKMNVTDBSA-N 0 1 381.190 3.931 40 0 GHABMN COc1ccc(C2(C(=O)N[C@@H](C)c3n[nH]c(-c4ccncc4)n3)CCCC2)cc1 ZINC000012114851 204372790 /nfs/dbraw/zinc/37/27/90/204372790.db2.gz FXXKHTGFLSJCDY-HNNXBMFYSA-N 0 1 391.475 3.565 40 0 GHABMN O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224536655 206022326 /nfs/dbraw/zinc/02/23/26/206022326.db2.gz VHBDXJCQSGCAQN-UHFFFAOYSA-N 0 1 386.923 3.885 40 0 GHABMN CN(C)C(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257293415 206174278 /nfs/dbraw/zinc/17/42/78/206174278.db2.gz QPJQXETVVRKYLC-QHCPKHFHSA-N 0 1 380.488 3.742 40 0 GHABMN CN1CCN(Cc2cccs2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130195 206198438 /nfs/dbraw/zinc/19/84/38/206198438.db2.gz IYZVJYSFPXWCKK-OAQYLSRUSA-N 0 1 389.528 3.947 40 0 GHABMN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000408589425 528047307 /nfs/dbraw/zinc/04/73/07/528047307.db2.gz HNKPIRHYLXJQGP-UHFFFAOYSA-N 0 1 391.493 3.678 40 0 GHABMN CCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980627 535743195 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ZINC000223446550 570466754 /nfs/dbraw/zinc/46/67/54/570466754.db2.gz MTFGJEWUCZZUTI-UHFFFAOYSA-N 0 1 380.514 3.640 40 0 GHABMN O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccc(F)cc1F ZINC000035316100 570469855 /nfs/dbraw/zinc/46/98/55/570469855.db2.gz MOXNVEKJXZHUCS-UHFFFAOYSA-N 0 1 384.477 3.647 40 0 GHABMN Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C4CCOCC4)CC3)nc12 ZINC000012128029 570613099 /nfs/dbraw/zinc/61/30/99/570613099.db2.gz WZHKFHNAGBAITP-UHFFFAOYSA-N 0 1 398.551 3.986 40 0 GHABMN C[C@H](O)CN(Cc1cccn1-c1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000012147967 570617147 /nfs/dbraw/zinc/61/71/47/570617147.db2.gz GUPJAPMFTYHZPV-INIZCTEOSA-N 0 1 382.435 3.728 40 0 GHABMN CC(C)Oc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cc1 ZINC000012220289 570627523 /nfs/dbraw/zinc/62/75/23/570627523.db2.gz VHBRDLXDZFYVQY-UHFFFAOYSA-N 0 1 378.476 3.658 40 0 GHABMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccc(F)cc3)o2)c1 ZINC000007540659 570760356 /nfs/dbraw/zinc/76/03/56/570760356.db2.gz DSJXFRNYQCTZOE-UHFFFAOYSA-N 0 1 397.402 3.949 40 0 GHABMN COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340197 570880550 /nfs/dbraw/zinc/88/05/50/570880550.db2.gz IHTDYAZQAUYTQQ-QMHWCDLVSA-N 0 1 381.447 3.534 40 0 GHABMN Cc1csc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)n1 ZINC000585103846 570929681 /nfs/dbraw/zinc/92/96/81/570929681.db2.gz DDZIJBCEKUZEAC-LJQANCHMSA-N 0 1 387.549 3.825 40 0 GHABMN COc1ccc(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104187 570930186 /nfs/dbraw/zinc/93/01/86/570930186.db2.gz KKJLFSUVAXPZEG-NTKDMRAZSA-N 0 1 394.515 3.507 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)cc1C ZINC000006235016 856377665 /nfs/dbraw/zinc/37/76/65/856377665.db2.gz OTNHUDWRWSGJCK-UHFFFAOYSA-N 0 1 380.897 3.896 40 0 GHABMN Cc1cccnc1[C@]1(O)CC[C@@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000247935204 880089737 /nfs/dbraw/zinc/08/97/37/880089737.db2.gz RWQSLEIHKWWOHZ-ZOCZFRKYSA-N 0 1 386.879 3.502 40 0 GHABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000008635309 291131144 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0 GHABMN O=C(CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCCC1 ZINC000072348780 222234658 /nfs/dbraw/zinc/23/46/58/222234658.db2.gz BBHDVLIHHYWNIF-UHFFFAOYSA-N 0 1 381.495 3.613 40 0 GHABMN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113955309 535817782 /nfs/dbraw/zinc/81/77/82/535817782.db2.gz GMIBSQZRFNPFJG-HXUWFJFHSA-N 0 1 387.911 3.888 40 0 GHABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514288766 560034248 /nfs/dbraw/zinc/03/42/48/560034248.db2.gz DSVBNTUADVUJTF-IRXDYDNUSA-N 0 1 381.451 3.858 40 0 biogenic,in-vitro GHABMN CN1CCN(c2ccc([C@@H]3CCCCN3C(=O)OCc3ccccc3)cn2)CC1 ZINC000072216552 570317459 /nfs/dbraw/zinc/31/74/59/570317459.db2.gz SIMJYTHVZIAWTF-NRFANRHFSA-N 0 1 394.519 3.697 40 0 GHABMN O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(-c2ccccc2)cc1 ZINC000224272360 570437720 /nfs/dbraw/zinc/43/77/20/570437720.db2.gz JEGXJEVTAUMZPN-UHFFFAOYSA-N 0 1 380.473 3.545 40 0 GHABMN O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2ccccc2F)CC1 ZINC000039762219 570446085 /nfs/dbraw/zinc/44/60/85/570446085.db2.gz QOIZMOLIGAIXKM-UHFFFAOYSA-N 0 1 395.522 3.607 40 0 GHABMN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000039772499 570446567 /nfs/dbraw/zinc/44/65/67/570446567.db2.gz XZWITPCGTRZEAJ-UHFFFAOYSA-N 0 1 386.879 3.977 40 0 GHABMN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039773352 570446596 /nfs/dbraw/zinc/44/65/96/570446596.db2.gz PXKMTVPQENZOLT-UHFFFAOYSA-N 0 1 386.879 3.962 40 0 GHABMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C ZINC000224177310 570502337 /nfs/dbraw/zinc/50/23/37/570502337.db2.gz IZCIXLHQSKGCDN-UHFFFAOYSA-N 0 1 383.853 3.635 40 0 GHABMN CSc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1 ZINC000224446901 570513611 /nfs/dbraw/zinc/51/36/11/570513611.db2.gz ULOZJVNKZSQMFW-UHFFFAOYSA-N 0 1 382.942 3.764 40 0 GHABMN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834521 570585994 /nfs/dbraw/zinc/58/59/94/570585994.db2.gz OFEAXHRVZLDPFV-MRXNPFEDSA-N 0 1 386.879 3.977 40 0 GHABMN CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CCC2 ZINC000012185862 570620336 /nfs/dbraw/zinc/62/03/36/570620336.db2.gz YRDZHTPYZYPQOQ-MRXNPFEDSA-N 0 1 383.488 3.686 40 0 GHABMN CC(=O)c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[n-]2)C1 ZINC000012259122 570631447 /nfs/dbraw/zinc/63/14/47/570631447.db2.gz BGAWASCYYODQBU-AWEZNQCLSA-N 0 1 384.867 3.589 40 0 GHABMN Cn1cnnc1[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000585177742 570714615 /nfs/dbraw/zinc/71/46/15/570714615.db2.gz ZJDMUNZNPROCCR-HXUWFJFHSA-N 0 1 376.460 3.908 40 0 GHABMN Cn1cnnc1[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000585177742 570714618 /nfs/dbraw/zinc/71/46/18/570714618.db2.gz ZJDMUNZNPROCCR-HXUWFJFHSA-N 0 1 376.460 3.908 40 0 GHABMN O=c1cc(-c2cccc3ccccc32)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000013639807 570863005 /nfs/dbraw/zinc/86/30/05/570863005.db2.gz XRRVFIVIOGJMJG-UHFFFAOYSA-N 0 1 396.494 3.912 40 0 GHABMN COc1ccc(CN(Cc2ccc3c(c2)CCO3)C[C@@H]2CCCO2)cc1OC ZINC000013994227 570868780 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O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2 ZINC000002728332 209114736 /nfs/dbraw/zinc/11/47/36/209114736.db2.gz BKGRDVKZQSRORD-UHFFFAOYSA-N 0 1 385.228 3.555 40 0 GHABMN CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000328972132 206238807 /nfs/dbraw/zinc/23/88/07/206238807.db2.gz DTSZHIREXCYSNQ-UHFFFAOYSA-N 0 1 381.185 3.916 40 0 GHABMN CC(C)c1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1 ZINC000004968196 206260043 /nfs/dbraw/zinc/26/00/43/206260043.db2.gz IZKNLFRYNMFVST-UHFFFAOYSA-N 0 1 377.492 3.830 40 0 GHABMN COc1ccccc1/C=C/CN1CCC([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000019020423 207101877 /nfs/dbraw/zinc/10/18/77/207101877.db2.gz IIGDYEIWXITOIS-WCYCAPIHSA-N 0 1 379.504 3.693 40 0 GHABMN Cc1ccccc1-c1ncc(CN2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019237548 207111621 /nfs/dbraw/zinc/11/16/21/207111621.db2.gz KMQBMOCXFHMHFY-VWLOTQADSA-N 0 1 398.510 3.773 40 0 GHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000019288898 207113743 /nfs/dbraw/zinc/11/37/43/207113743.db2.gz 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389.499 3.527 40 0 GHABMN NC(=O)c1cc2[nH]c(-c3ccc(Br)cc3)nc2c(Br)c1 ZINC000226344598 570460349 /nfs/dbraw/zinc/46/03/49/570460349.db2.gz XZIKDSRIMRWZOR-UHFFFAOYSA-N 0 1 395.054 3.854 40 0 GHABMN CSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000223643240 570476206 /nfs/dbraw/zinc/47/62/06/570476206.db2.gz GXLPFUXXBFEMEG-UHFFFAOYSA-N 0 1 382.942 3.764 40 0 GHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000223842584 570486575 /nfs/dbraw/zinc/48/65/75/570486575.db2.gz FSQDRQSFTBSXFO-UHFFFAOYSA-N 0 1 383.853 3.715 40 0 GHABMN CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Br)c1OC ZINC000008253627 570525806 /nfs/dbraw/zinc/52/58/06/570525806.db2.gz AVOALEYNQDSNKH-UHFFFAOYSA-N 0 1 394.265 3.875 40 0 GHABMN CC(C)Oc1cc(CCC(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)on1 ZINC000012147542 570617245 /nfs/dbraw/zinc/61/72/45/570617245.db2.gz XEBDOXLCPZTVLC-UHFFFAOYSA-N 0 1 376.844 3.583 40 0 GHABMN COc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c(OC)c1 ZINC000012328265 570643753 /nfs/dbraw/zinc/64/37/53/570643753.db2.gz CRHASQHFOQESJI-UHFFFAOYSA-N 0 1 380.448 3.528 40 0 GHABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000005868569 570735340 /nfs/dbraw/zinc/73/53/40/570735340.db2.gz GJRXOTDRZIDGAB-UHFFFAOYSA-N 0 1 396.472 3.688 40 0 GHABMN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000005944797 570736747 /nfs/dbraw/zinc/73/67/47/570736747.db2.gz WBDGEBRBLPRMAV-UHFFFAOYSA-N 0 1 396.560 3.689 40 0 GHABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000257226204 570763520 /nfs/dbraw/zinc/76/35/20/570763520.db2.gz FJQFACDMEYHYAX-LJQANCHMSA-N 0 1 384.455 3.553 40 0 GHABMN CC(C)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257227804 570764148 /nfs/dbraw/zinc/76/41/48/570764148.db2.gz FQYPUXBFSVZWGL-SFHVURJKSA-N 0 1 383.414 3.832 40 0 GHABMN C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(Cc1cccc(F)c1)C2 ZINC000585104673 570933726 /nfs/dbraw/zinc/93/37/26/570933726.db2.gz QPIQQQQCQBSKIA-MBSDFSHPSA-N 0 1 382.479 3.638 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306143106 209107548 /nfs/dbraw/zinc/10/75/48/209107548.db2.gz XTIQFCLEPXALJV-VQTJNVASSA-N 0 1 381.476 3.770 40 0 GHABMN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[nH]1 ZINC000019285171 207112102 /nfs/dbraw/zinc/11/21/02/207112102.db2.gz IMOQZJKWJURVKJ-FQEVSTJZSA-N 0 1 376.435 3.772 40 0 GHABMN COc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1OC ZINC000019567701 207136617 /nfs/dbraw/zinc/13/66/17/207136617.db2.gz PDJYSQKJVSCJQX-UHFFFAOYSA-N 0 1 380.448 3.528 40 0 GHABMN Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000096225722 208288493 /nfs/dbraw/zinc/28/84/93/208288493.db2.gz XHPZHGNKPXTLLQ-DVECYGJZSA-N 0 1 391.515 3.636 40 0 GHABMN O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000306132224 209102526 /nfs/dbraw/zinc/10/25/26/209102526.db2.gz LCEDHLAXGDBSDI-UHFFFAOYSA-N 0 1 388.558 3.799 40 0 GHABMN CN1CCN(Cc2cccs2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130194 209099433 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3.918 40 0 in-man GHABMN CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl ZINC000223348628 570460778 /nfs/dbraw/zinc/46/07/78/570460778.db2.gz GUYKNSSMRCSLQI-UHFFFAOYSA-N 0 1 394.880 3.711 40 0 GHABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1cccc(OC)c1)CCCC3 ZINC000035079611 570549283 /nfs/dbraw/zinc/54/92/83/570549283.db2.gz SCKWNQRIZNNYFA-LJQANCHMSA-N 0 1 393.487 3.946 40 0 GHABMN CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccno3)CC2)nc2ccccn21 ZINC000012127883 570613119 /nfs/dbraw/zinc/61/31/19/570613119.db2.gz JQTZKRBUDUTAPU-UHFFFAOYSA-N 0 1 395.507 3.872 40 0 GHABMN COc1ccc(CN(Cc2ccc3c(c2)CCO3)C[C@H]2CCCO2)cc1OC ZINC000013994230 570868981 /nfs/dbraw/zinc/86/89/81/570868981.db2.gz DWIDSLRLIPOLED-HXUWFJFHSA-N 0 1 383.488 3.820 40 0 GHABMN CN1Cc2cccc(-c3cnc4n3CCN(C(=O)CC3CCCCC3)CC4)c2C1 ZINC000585111270 570945716 /nfs/dbraw/zinc/94/57/16/570945716.db2.gz MDGNZRJSTGTRAW-UHFFFAOYSA-N 0 1 392.547 3.851 40 0 GHABMN O=C(c1ccc(Br)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000238934032 570981206 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ZINC000113951694 535818144 /nfs/dbraw/zinc/81/81/44/535818144.db2.gz VEXCFDSFTXOIMG-OAQYLSRUSA-N 0 1 381.520 3.851 40 0 GHABMN Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781102 570408738 /nfs/dbraw/zinc/40/87/38/570408738.db2.gz BUIKNSFVFCAGFF-OAQYLSRUSA-N 0 1 382.548 3.854 40 0 GHABMN COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1ccnc1 ZINC000012117049 570611539 /nfs/dbraw/zinc/61/15/39/570611539.db2.gz BTVFXQINXVYZRN-UHFFFAOYSA-N 0 1 395.478 3.563 40 0 GHABMN C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1n[nH]c(-c2ccncc2)n1 ZINC000012144628 570615735 /nfs/dbraw/zinc/61/57/35/570615735.db2.gz MGOAXOXDAIMWLK-INIZCTEOSA-N 0 1 383.455 3.954 40 0 GHABMN COc1cc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1OC ZINC000012187419 570621372 /nfs/dbraw/zinc/62/13/72/570621372.db2.gz JTGGPNLDNYQYNO-LJQANCHMSA-N 0 1 399.487 3.922 40 0 GHABMN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293724 570634499 /nfs/dbraw/zinc/63/44/99/570634499.db2.gz WAINOKZUJMAMQA-WOJBJXKFSA-N 0 1 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OEIKAGSCXXJVDR-YPAWHYETSA-N 0 1 380.536 3.589 40 0 GHABMN CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2cncs2)CC1 ZINC000257333037 209078298 /nfs/dbraw/zinc/07/82/98/209078298.db2.gz XZVDLZNGNJWKDS-UHFFFAOYSA-N 0 1 386.546 3.834 40 0 GHABMN O=C(CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCCC1 ZINC000072348783 222234486 /nfs/dbraw/zinc/23/44/86/222234486.db2.gz AKTFYBBWEGZGBN-UHFFFAOYSA-N 0 1 381.495 3.613 40 0 GHABMN O=C(CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000072348784 222234785 /nfs/dbraw/zinc/23/47/85/222234785.db2.gz PVWMMGCPYQYVQA-UHFFFAOYSA-N 0 1 381.495 3.613 40 0 GHABMN CC(C)OC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000408711844 527869055 /nfs/dbraw/zinc/86/90/55/527869055.db2.gz NHSTXDYJAFLRQX-UHFFFAOYSA-N 0 1 396.472 3.768 40 0 GHABMN CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409407805 528443551 /nfs/dbraw/zinc/44/35/51/528443551.db2.gz ABNGEJGWRQXQEQ-UHFFFAOYSA-N 0 1 380.897 3.897 40 0 GHABMN COc1cccc2[nH]c(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289413 560032472 /nfs/dbraw/zinc/03/24/72/560032472.db2.gz SIODCZGUCPDYDX-HOTGVXAUSA-N 0 1 385.508 3.860 40 0 biogenic,in-vitro GHABMN COC(=O)c1ccc2c(c1)CCN(c1cc(C)nc(NC3CCCCC3)n1)C2 ZINC000329039596 570214389 /nfs/dbraw/zinc/21/43/89/570214389.db2.gz RXRTZHDZLFRMIP-UHFFFAOYSA-N 0 1 380.492 3.879 40 0 GHABMN CN1CCN(c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000045865203 570325685 /nfs/dbraw/zinc/32/56/85/570325685.db2.gz XCGYUSZKAPLJAJ-UHFFFAOYSA-N 0 1 381.520 3.753 40 0 GHABMN N[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000685938861 570397723 /nfs/dbraw/zinc/39/77/23/570397723.db2.gz DOGITAQWGMFSER-BGTYHANMSA-N 0 1 384.442 3.744 40 0 GHABMN Cc1cc2nc(C3CCN(CC(=O)NCc4ccccc4)CC3)[nH]c2cc1C ZINC000035292233 570461487 /nfs/dbraw/zinc/46/14/87/570461487.db2.gz MQXKGHNXVPQWKS-UHFFFAOYSA-N 0 1 376.504 3.676 40 0 GHABMN CCn1cc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3N2)c(C)n1 ZINC000227173115 570462526 /nfs/dbraw/zinc/46/25/26/570462526.db2.gz GOBUXJVGCLJKRQ-KRWDZBQOSA-N 0 1 378.432 3.856 40 0 GHABMN COc1cccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1OC ZINC000000785803 570481218 /nfs/dbraw/zinc/48/12/18/570481218.db2.gz ZPSMNWXWPWZIQG-UHFFFAOYSA-N 0 1 382.504 3.574 40 0 GHABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000033703982 570528466 /nfs/dbraw/zinc/52/84/66/570528466.db2.gz YXMKQDRTZFJMHA-UHFFFAOYSA-N 0 1 376.659 3.912 40 0 GHABMN COc1ccc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)c(OC)c1 ZINC000036734406 570568789 /nfs/dbraw/zinc/56/87/89/570568789.db2.gz JUKSONIFRMKDHP-OALUTQOASA-N 0 1 375.440 3.722 40 0 GHABMN O=C(NCc1n[nH]c(-c2ccncc2)n1)[C@H](c1ccccc1)C1CCCCC1 ZINC000012114802 570609938 /nfs/dbraw/zinc/60/99/38/570609938.db2.gz XBOYERPEPXRCGC-HXUWFJFHSA-N 0 1 375.476 3.847 40 0 GHABMN CNc1ncc(CN2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012326655 570643320 /nfs/dbraw/zinc/64/33/20/570643320.db2.gz RQTPMSGKPLVQOH-YXJHDRRASA-N 0 1 392.425 3.969 40 0 GHABMN COc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000055012191 570678988 /nfs/dbraw/zinc/67/89/88/570678988.db2.gz SDVQZTHZPOVSJA-MRXNPFEDSA-N 0 1 385.533 3.566 40 0 GHABMN O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1 ZINC000013116519 570831665 /nfs/dbraw/zinc/83/16/65/570831665.db2.gz SZLPLTUELZPYPU-UHFFFAOYSA-N 0 1 393.896 3.907 40 0 GHABMN Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)n(C)n1 ZINC000585100840 570928627 /nfs/dbraw/zinc/92/86/27/570928627.db2.gz YNRAXWUTJKMHAK-JOCHJYFZSA-N 0 1 399.539 3.501 40 0 GHABMN Cc1csc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)n1 ZINC000585103841 570929710 /nfs/dbraw/zinc/92/97/10/570929710.db2.gz DDZIJBCEKUZEAC-IBGZPJMESA-N 0 1 387.549 3.825 40 0 GHABMN O=C(c1ccccc1Br)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000238907195 570981492 /nfs/dbraw/zinc/98/14/92/570981492.db2.gz RXTIGKLAJXZYQR-QGZVFWFLSA-N 0 1 385.305 3.722 40 0 GHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2Cl)c1 ZINC000006213999 856377558 /nfs/dbraw/zinc/37/75/58/856377558.db2.gz GRHVVHWHTHODMX-UHFFFAOYSA-N 0 1 380.897 3.978 40 0 GHABMN CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000006368609 856379200 /nfs/dbraw/zinc/37/92/00/856379200.db2.gz FUOLANYHUZKSIE-UHFFFAOYSA-N 0 1 380.897 3.931 40 0 GHABMN CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000006349361 856379893 /nfs/dbraw/zinc/37/98/93/856379893.db2.gz GGGNQLHLDBNBBC-UHFFFAOYSA-N 0 1 396.560 3.689 40 0 GHABMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1NC(=O)c1ccccc1 ZINC000008334559 856401111 /nfs/dbraw/zinc/40/11/11/856401111.db2.gz FATLOLMTGHULBM-FYJGNVAPSA-N 0 1 377.404 3.843 40 0 GHABMN O=C(c1ccccc1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704427 856424522 /nfs/dbraw/zinc/42/45/22/856424522.db2.gz NUAXCSMLLZZFIK-QGZVFWFLSA-N 0 1 398.470 3.595 40 0 GHABMN Cc1ncc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)s1 ZINC000019702524 856424569 /nfs/dbraw/zinc/42/45/69/856424569.db2.gz IPGBTDKNVGGISG-ZDUSSCGKSA-N 0 1 386.546 3.753 40 0 GHABMN Cc1ncsc1CN1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306143682 209109118 /nfs/dbraw/zinc/10/91/18/209109118.db2.gz YIXWWTMAWZEQFT-FQEVSTJZSA-N 0 1 396.541 3.712 40 0 GHABMN Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4ccco4)CC3)n2n1 ZINC000306142457 209107651 /nfs/dbraw/zinc/10/76/51/209107651.db2.gz WZPCAGSEXIMOAQ-UHFFFAOYSA-N 0 1 377.423 3.903 40 0 GHABMN CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329030657 206242761 /nfs/dbraw/zinc/24/27/61/206242761.db2.gz QELFKCAYFWOQTR-UHFFFAOYSA-N 0 1 390.274 3.959 40 0 GHABMN CN1CC2(CCN(Cc3ccsc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306140718 209105911 /nfs/dbraw/zinc/10/59/11/209105911.db2.gz VBWLGAADGDMMNM-UHFFFAOYSA-N 0 1 392.528 3.553 40 0 GHABMN Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)nc2)nc1 ZINC000019215506 207107100 /nfs/dbraw/zinc/10/71/00/207107100.db2.gz CWCSNHSJGPKIJB-OAQYLSRUSA-N 0 1 394.544 3.757 40 0 GHABMN O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000019365930 207118384 /nfs/dbraw/zinc/11/83/84/207118384.db2.gz XQNGBFJNJXVYJR-PKTZIBPZSA-N 0 1 378.516 3.797 40 0 GHABMN O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000019369044 207118877 /nfs/dbraw/zinc/11/88/77/207118877.db2.gz OMUYDJZYUGVSLD-PMACEKPBSA-N 0 1 392.528 3.921 40 0 GHABMN S=c1[nH]c2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(=S)[nH]1 ZINC000019418258 207121506 /nfs/dbraw/zinc/12/15/06/207121506.db2.gz IHWNEAVSOUASHK-UHFFFAOYSA-N 0 1 390.559 3.906 40 0 GHABMN O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000072378324 208008482 /nfs/dbraw/zinc/00/84/82/208008482.db2.gz HSVDIHCALPTXCD-LJQANCHMSA-N 0 1 380.423 3.543 40 0 GHABMN COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cncc([N-]c2nncs2)n1 ZINC000072376393 208010401 /nfs/dbraw/zinc/01/04/01/208010401.db2.gz HPPZAYWISLKWJX-MRXNPFEDSA-N 0 1 382.493 3.726 40 0 GHABMN COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cncc([N-]c2nncs2)n1 ZINC000072376393 208010403 /nfs/dbraw/zinc/01/04/03/208010403.db2.gz HPPZAYWISLKWJX-MRXNPFEDSA-N 0 1 382.493 3.726 40 0 GHABMN Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000096225723 208287936 /nfs/dbraw/zinc/28/79/36/208287936.db2.gz XHPZHGNKPXTLLQ-NTKDMRAZSA-N 0 1 391.515 3.636 40 0 GHABMN CCc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 ZINC000306138317 209104190 /nfs/dbraw/zinc/10/41/90/209104190.db2.gz RUTOLGOODDLMPX-XZOQPEGZSA-N 0 1 386.499 3.527 40 0 GHABMN COc1ncccc1CN1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 ZINC000306135814 209103522 /nfs/dbraw/zinc/10/35/22/209103522.db2.gz PBUIMRCZGKDCMS-XMMPIXPASA-N 0 1 386.499 3.649 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306129168 209099070 /nfs/dbraw/zinc/09/90/70/209099070.db2.gz HWGPXEURTVRUQT-FCHUYYIVSA-N 0 1 393.437 3.848 40 0 GHABMN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000113969222 136192161 /nfs/dbraw/zinc/19/21/61/136192161.db2.gz VDBAAOPNGNKOHL-INIZCTEOSA-N 0 1 387.911 3.806 40 0 GHABMN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4ncc[nH]4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257310191 209073333 /nfs/dbraw/zinc/07/33/33/209073333.db2.gz UEBSKROYDGNIAL-GHTZIAJQSA-N 0 1 397.519 3.949 40 0 GHABMN CC(C)C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000257321888 209074570 /nfs/dbraw/zinc/07/45/70/209074570.db2.gz WDRQYPKBUBRGQR-OAQYLSRUSA-N 0 1 385.508 3.711 40 0 GHABMN O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000408548204 534411556 /nfs/dbraw/zinc/41/15/56/534411556.db2.gz QKNIHURZAFXRGC-UHFFFAOYSA-N 0 1 387.848 3.788 40 0 GHABMN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OCC)c2)NC(=S)N1 ZINC000408606634 528065173 /nfs/dbraw/zinc/06/51/73/528065173.db2.gz JILAKRMNTMNDHX-SFHVURJKSA-N 0 1 392.521 3.620 40 0 GHABMN CC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000015676011 560094689 /nfs/dbraw/zinc/09/46/89/560094689.db2.gz PJGIDXOFJIPGRG-HNNXBMFYSA-N 0 1 386.843 3.901 40 0 biogenic,in-vitro GHABMN Cn1nc(C2CCCCC2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000012602041 565102151 /nfs/dbraw/zinc/10/21/51/565102151.db2.gz FEAOPPNSZKBCFS-OTWHNJEPSA-N 0 1 396.535 3.669 40 0 biogenic,in-vitro GHABMN Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000012602041 565102153 /nfs/dbraw/zinc/10/21/53/565102153.db2.gz FEAOPPNSZKBCFS-OTWHNJEPSA-N 0 1 396.535 3.669 40 0 biogenic,in-vitro GHABMN Cc1cnc(Nc2cccc(CC3CCN(Cc4cncn4C)CC3)n2)s1 ZINC000585262611 570231000 /nfs/dbraw/zinc/23/10/00/570231000.db2.gz IEWULEUAJIXJOZ-UHFFFAOYSA-N 0 1 382.537 3.778 40 0 GHABMN COC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008306814 570373289 /nfs/dbraw/zinc/37/32/89/570373289.db2.gz OHMMGZCPRWZPRK-GOSISDBHSA-N 0 1 386.473 3.611 40 0 GHABMN COc1ccc2cc(CN(CCN3CCOCC3)Cc3cccnc3)ccc2c1 ZINC000022931439 570379416 /nfs/dbraw/zinc/37/94/16/570379416.db2.gz ATOINYQOKUMRET-UHFFFAOYSA-N 0 1 391.515 3.578 40 0 GHABMN COc1ccc(C2(C(=O)N[C@H](C)c3n[nH]c(-c4ccncc4)n3)CCCC2)cc1 ZINC000012114852 570609945 /nfs/dbraw/zinc/60/99/45/570609945.db2.gz FXXKHTGFLSJCDY-OAHLLOKOSA-N 0 1 391.475 3.565 40 0 GHABMN CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000012147484 570617349 /nfs/dbraw/zinc/61/73/49/570617349.db2.gz JGSSUBCDKWXIEM-HXUWFJFHSA-N 0 1 394.475 3.893 40 0 GHABMN CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@H](C)O)CCC2 ZINC000012185866 570620502 /nfs/dbraw/zinc/62/05/02/570620502.db2.gz YRDZHTPYZYPQOQ-INIZCTEOSA-N 0 1 383.488 3.686 40 0 GHABMN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291591 570633285 /nfs/dbraw/zinc/63/32/85/570633285.db2.gz BRNNJBRJPJHROI-SFHVURJKSA-N 0 1 384.442 3.684 40 0 GHABMN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291405 570633290 /nfs/dbraw/zinc/63/32/90/570633290.db2.gz ZNVKCMPXMLPQBR-LJQANCHMSA-N 0 1 398.469 3.930 40 0 GHABMN CN(CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000044916802 570642890 /nfs/dbraw/zinc/64/28/90/570642890.db2.gz LDLNEAPWMXJUAC-UHFFFAOYSA-N 0 1 385.939 3.805 40 0 GHABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cs2)no1 ZINC000006681798 570671944 /nfs/dbraw/zinc/67/19/44/570671944.db2.gz AENHEYSLSNKWMT-UHFFFAOYSA-N 0 1 391.474 3.714 40 0 GHABMN CN1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000007105691 570757024 /nfs/dbraw/zinc/75/70/24/570757024.db2.gz YDNCUVVAXDCFKK-UHFFFAOYSA-N 0 1 394.302 3.763 40 0 GHABMN COc1c(Br)cc(Br)cc1CNCc1ccncc1 ZINC000007274794 570757825 /nfs/dbraw/zinc/75/78/25/570757825.db2.gz FYHDNWWRGRKEBF-UHFFFAOYSA-N 0 1 386.087 3.905 40 0 GHABMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3cccs3)o2)c1 ZINC000007540597 570760442 /nfs/dbraw/zinc/76/04/42/570760442.db2.gz ASQPTYRJVYMAAT-UHFFFAOYSA-N 0 1 385.441 3.871 40 0 GHABMN C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1cccc(F)c1)C2 ZINC000585104570 570933743 /nfs/dbraw/zinc/93/37/43/570933743.db2.gz QPIQQQQCQBSKIA-FDDCHVKYSA-N 0 1 382.479 3.638 40 0 GHABMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000004512939 570975904 /nfs/dbraw/zinc/97/59/04/570975904.db2.gz XIHZFXUSINJCRW-WDMOLILDSA-N 0 1 392.912 3.531 40 0 GHABMN CCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12 ZINC000006961897 856388344 /nfs/dbraw/zinc/38/83/44/856388344.db2.gz KXEBFSRFYOUVNR-AQTBWJFISA-N 0 1 378.428 3.643 40 0 GHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000008477324 856407009 /nfs/dbraw/zinc/40/70/09/856407009.db2.gz AEWPYGYQERDYQS-FOWTUZBSSA-N 0 1 382.441 3.835 40 0 GHABMN C=C1N=C(SC(C)C)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033746677 856439524 /nfs/dbraw/zinc/43/95/24/856439524.db2.gz UHHIMUYNOHBSLS-QGZVFWFLSA-N 0 1 378.494 3.683 40 0 GHABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000015672542 919381268 /nfs/dbraw/zinc/38/12/68/919381268.db2.gz DUXYNPFEQGTSFF-BBWFWOEESA-N 0 1 398.576 3.854 40 0 biogenic,in-vitro GHABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000015672542 919381279 /nfs/dbraw/zinc/38/12/79/919381279.db2.gz DUXYNPFEQGTSFF-BBWFWOEESA-N 0 1 398.576 3.854 40 0 biogenic,in-vitro GHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1C ZINC000408547816 231056464 /nfs/dbraw/zinc/05/64/64/231056464.db2.gz NIBVGITVEWDBPP-UHFFFAOYSA-N 0 1 378.881 3.650 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2Cl)cc1 ZINC000409381812 231198684 /nfs/dbraw/zinc/19/86/84/231198684.db2.gz NPYAKRRRQGCIFN-UHFFFAOYSA-N 0 1 380.897 3.835 40 0 GHABMN CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccnc3ccccc31)N2 ZINC000306145421 209108719 /nfs/dbraw/zinc/10/87/19/209108719.db2.gz DZPNVVOQKSONNP-IBGZPJMESA-N 0 1 383.492 3.665 40 0 GHABMN CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329059672 206243531 /nfs/dbraw/zinc/24/35/31/206243531.db2.gz WJBKWYSEFKLMBW-UHFFFAOYSA-N 0 1 390.274 3.959 40 0 GHABMN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CC2)n1 ZINC000329033280 206242769 /nfs/dbraw/zinc/24/27/69/206242769.db2.gz QSYXTONFDCDZKP-UHFFFAOYSA-N 0 1 387.325 3.921 40 0 GHABMN CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000015012921 207040573 /nfs/dbraw/zinc/04/05/73/207040573.db2.gz PKACNPOIXRYCTD-NVNXTCNLSA-N 0 1 390.798 3.637 40 0 GHABMN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)no1 ZINC000019293832 207114932 /nfs/dbraw/zinc/11/49/32/207114932.db2.gz AOCPTEOGXJPQQM-GOSISDBHSA-N 0 1 394.450 3.518 40 0 GHABMN CC(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019454056 207123836 /nfs/dbraw/zinc/12/38/36/207123836.db2.gz LRGAVFMOTZRCKH-MRXNPFEDSA-N 0 1 395.532 3.791 40 0 GHABMN Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019687416 207147964 /nfs/dbraw/zinc/14/79/64/207147964.db2.gz FEGAFFZVPBMJJT-HXUWFJFHSA-N 0 1 394.498 3.728 40 0 GHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H]3c3ccc(-c4ccc(N)nc4)cn3)c2c1 ZINC000019688657 207148309 /nfs/dbraw/zinc/14/83/09/207148309.db2.gz JDBBUJIQXUCSHQ-HXUWFJFHSA-N 0 1 398.470 3.888 40 0 GHABMN Cc1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C ZINC000019687406 207149269 /nfs/dbraw/zinc/14/92/69/207149269.db2.gz MIYIBCJQQWGUQS-FQEVSTJZSA-N 0 1 394.498 3.728 40 0 GHABMN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)CCC4)[nH]n2)c(OC)c1 ZINC000019716296 207153783 /nfs/dbraw/zinc/15/37/83/207153783.db2.gz ODGZIQVRBQPRLG-UHFFFAOYSA-N 0 1 392.459 3.729 40 0 GHABMN O=C(CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072359393 208002982 /nfs/dbraw/zinc/00/29/82/208002982.db2.gz NJPXAUUAJCYCNH-KRWDZBQOSA-N 0 1 384.911 3.599 40 0 GHABMN O=C(CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCC1 ZINC000072359391 208003483 /nfs/dbraw/zinc/00/34/83/208003483.db2.gz ZINSVYQTIIODSG-UHFFFAOYSA-N 0 1 384.911 3.599 40 0 GHABMN O=S(=O)(N[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000096051632 208256058 /nfs/dbraw/zinc/25/60/58/208256058.db2.gz AAHDCUJLLFJGGC-HXUWFJFHSA-N 0 1 388.508 3.549 40 0 GHABMN CCc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306138314 209103335 /nfs/dbraw/zinc/10/33/35/209103335.db2.gz RUTOLGOODDLMPX-DHIUTWEWSA-N 0 1 386.499 3.527 40 0 GHABMN CN1CCN(Cc2ccccc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125548 209098194 /nfs/dbraw/zinc/09/81/94/209098194.db2.gz CTSRRCHJYYKUPC-OAQYLSRUSA-N 0 1 389.528 3.947 40 0 GHABMN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275924 209066906 /nfs/dbraw/zinc/06/69/06/209066906.db2.gz NROJIRWDXXJZNF-MRXNPFEDSA-N 0 1 379.460 3.833 40 0 GHABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000257295316 209071697 /nfs/dbraw/zinc/07/16/97/209071697.db2.gz QXVRVGHGSANMQI-IYBDPMFKSA-N 0 1 388.556 3.955 40 0 GHABMN Cn1cc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257295996 209070768 /nfs/dbraw/zinc/07/07/68/209070768.db2.gz RAUARHFYNYWFBS-AZUAARDMSA-N 0 1 387.911 3.968 40 0 GHABMN Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000107231600 570308699 /nfs/dbraw/zinc/30/86/99/570308699.db2.gz XHPZHGNKPXTLLQ-CYFREDJKSA-N 0 1 391.515 3.636 40 0 GHABMN Cc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000025227051 570408526 /nfs/dbraw/zinc/40/85/26/570408526.db2.gz VSTKDCGAQXBUQL-NRFANRHFSA-N 0 1 376.500 3.710 40 0 GHABMN CCSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000223170057 570448150 /nfs/dbraw/zinc/44/81/50/570448150.db2.gz WBSRBPXALCQWBZ-UHFFFAOYSA-N 0 1 380.514 3.640 40 0 GHABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2o1 ZINC000223326745 570458708 /nfs/dbraw/zinc/45/87/08/570458708.db2.gz JBHJFBVZKKJTCL-UHFFFAOYSA-N 0 1 392.742 3.594 40 0 GHABMN Cc1c(Cl)cccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl ZINC000223344126 570460406 /nfs/dbraw/zinc/46/04/06/570460406.db2.gz LYMDXAHLKMHEFA-UHFFFAOYSA-N 0 1 387.244 3.548 40 0 GHABMN O=C(Nc1nnc(SCCN2CCCCC2)s1)c1c(F)cccc1F ZINC000035316098 570469955 /nfs/dbraw/zinc/46/99/55/570469955.db2.gz PZWZXRFSQQSLFY-UHFFFAOYSA-N 0 1 384.477 3.647 40 0 GHABMN O=C(CCc1ccccc1)Nc1nnc(SCCN2CCCCC2)s1 ZINC000035316083 570470044 /nfs/dbraw/zinc/47/00/44/570470044.db2.gz AGQLXORMXVUPEH-UHFFFAOYSA-N 0 1 376.551 3.687 40 0 GHABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000223639986 570476363 /nfs/dbraw/zinc/47/63/63/570476363.db2.gz IVXHALBSYPUNQV-UHFFFAOYSA-N 0 1 391.489 3.986 40 0 GHABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(OC)cc1)CCCC3 ZINC000035079584 570549198 /nfs/dbraw/zinc/54/91/98/570549198.db2.gz ZNRGREFWBCWZAU-LJQANCHMSA-N 0 1 393.487 3.946 40 0 GHABMN OC1(c2ccccc2F)CCN(Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000012240586 570630058 /nfs/dbraw/zinc/63/00/58/570630058.db2.gz XVYMLDMQOYYEPG-IBGZPJMESA-N 0 1 385.479 3.867 40 0 GHABMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2C)cc1OC ZINC000004909293 570648007 /nfs/dbraw/zinc/64/80/07/570648007.db2.gz BOSGMMXKTWQDGJ-IBGZPJMESA-N 0 1 383.835 3.922 40 0 GHABMN COc1ccc(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104183 570929962 /nfs/dbraw/zinc/92/99/62/570929962.db2.gz KKJLFSUVAXPZEG-CYFREDJKSA-N 0 1 394.515 3.507 40 0 GHABMN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 ZINC000008477281 856406861 /nfs/dbraw/zinc/40/68/61/856406861.db2.gz HPMLWHLEIWMGJK-LDADJPATSA-N 0 1 392.411 3.554 40 0 GHABMN CC[C@H](C)Nc1nc(C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329042557 206242484 /nfs/dbraw/zinc/24/24/84/206242484.db2.gz SNRRIVYKMFQBHH-LBPRGKRZSA-N 0 1 380.414 3.879 40 0 GHABMN c1c([C@H]2CN(C3CCC3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306141246 209106772 /nfs/dbraw/zinc/10/67/72/209106772.db2.gz VPODVXDWODDIOT-OAQYLSRUSA-N 0 1 379.552 3.556 40 0 GHABMN CC(=O)Nc1cc2ccccc2nc1C1CCN(Cc2cnc(C)nc2)CC1 ZINC000019287208 207112759 /nfs/dbraw/zinc/11/27/59/207112759.db2.gz JDFVZOBQFVRFFM-UHFFFAOYSA-N 0 1 375.476 3.671 40 0 GHABMN O=C(NCc1ccccn1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 ZINC000019401941 207121114 /nfs/dbraw/zinc/12/11/14/207121114.db2.gz VNKAOEOWDNKTLO-UHFFFAOYSA-N 0 1 394.450 3.518 40 0 GHABMN O=C1[C@@H](C2CCN(Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695794 207149072 /nfs/dbraw/zinc/14/90/72/207149072.db2.gz NNGZJSZCSFUYEE-HSZRJFAPSA-N 0 1 375.516 3.899 40 0 GHABMN CN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589486 207142517 /nfs/dbraw/zinc/14/25/17/207142517.db2.gz PMNWWGNYOVQZPY-NRFANRHFSA-N 0 1 391.540 3.943 40 0 GHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)c3ccccc3)cc(C(F)(F)F)c12 ZINC000019742247 207157450 /nfs/dbraw/zinc/15/74/50/207157450.db2.gz RLWAPGLBNCJXKM-CQSZACIVSA-N 0 1 389.381 3.926 40 0 GHABMN CCN1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000020218807 207184174 /nfs/dbraw/zinc/18/41/74/207184174.db2.gz KLCWSQOEVHFFBX-UHFFFAOYSA-N 0 1 387.549 3.763 40 0 GHABMN CCc1nnc(SCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH]1 ZINC000020611454 207207577 /nfs/dbraw/zinc/20/75/77/207207577.db2.gz LCXYEAAKIAPMTQ-UHFFFAOYSA-N 0 1 382.445 3.640 40 0 GHABMN CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 ZINC000020611454 207207581 /nfs/dbraw/zinc/20/75/81/207207581.db2.gz LCXYEAAKIAPMTQ-UHFFFAOYSA-N 0 1 382.445 3.640 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 ZINC000072372474 208006398 /nfs/dbraw/zinc/00/63/98/208006398.db2.gz MQRWEZXPHUOSEE-HXUWFJFHSA-N 0 1 396.539 3.546 40 0 GHABMN CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc([N-]c3nccs3)n2)cc1 ZINC000072378012 208008869 /nfs/dbraw/zinc/00/88/69/208008869.db2.gz UCBMRTOXMBVHHE-GOSISDBHSA-N 0 1 394.504 3.972 40 0 GHABMN O=C1C[C@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000100227758 208373906 /nfs/dbraw/zinc/37/39/06/208373906.db2.gz USCPGRLDEUWYLL-QFIPXVFZSA-N 0 1 394.490 3.798 40 0 GHABMN Cn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130240 209100428 /nfs/dbraw/zinc/10/04/28/209100428.db2.gz IZUQZVLIQYQVMY-LJQANCHMSA-N 0 1 390.466 3.649 40 0 GHABMN CNC(=O)c1sc2nc([C@H]3CCCN3Cc3ccccc3F)ccc2c1N ZINC000257272481 209064016 /nfs/dbraw/zinc/06/40/16/209064016.db2.gz NCOIKCLSPAQBKB-MRXNPFEDSA-N 0 1 384.480 3.714 40 0 GHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409048070 528195255 /nfs/dbraw/zinc/19/52/55/528195255.db2.gz QZMHKSSNLBIOLE-CXUHLZMHSA-N 0 1 386.835 3.806 40 0 GHABMN CCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980712 534929557 /nfs/dbraw/zinc/92/95/57/534929557.db2.gz ASMJKXISLRIIOM-UHFFFAOYSA-N 0 1 393.510 3.946 40 0 GHABMN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000663733585 570276231 /nfs/dbraw/zinc/27/62/31/570276231.db2.gz FHQRSTPMLDDYOM-BHDDXSALSA-N 0 1 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/nfs/dbraw/zinc/46/18/39/570461839.db2.gz GGVGHOYVRYOUHT-UHFFFAOYSA-N 0 1 380.853 3.685 40 0 GHABMN COc1cc(-c2n[nH]c(CSc3nc4ccccc4[nH]3)n2)cc(OC)c1OC ZINC000040174599 570563525 /nfs/dbraw/zinc/56/35/25/570563525.db2.gz OHTCRLVKSSRJIX-UHFFFAOYSA-N 0 1 397.460 3.666 40 0 GHABMN COc1cc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1OC ZINC000040174599 570563530 /nfs/dbraw/zinc/56/35/30/570563530.db2.gz OHTCRLVKSSRJIX-UHFFFAOYSA-N 0 1 397.460 3.666 40 0 GHABMN CC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000012147503 570617214 /nfs/dbraw/zinc/61/72/14/570617214.db2.gz CLKMJFANVPCQOK-IBGZPJMESA-N 0 1 394.475 3.811 40 0 GHABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1-c1ccc(F)cc1 ZINC000033788999 570646709 /nfs/dbraw/zinc/64/67/09/570646709.db2.gz GKITUCPNGRAFEX-GZTJUZNOSA-N 0 1 379.347 3.712 40 0 GHABMN CC(C)c1ccc(OCCc2cc([C@@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1 ZINC000257242847 570768825 /nfs/dbraw/zinc/76/88/25/570768825.db2.gz IELIBEWQBOFNJB-NRFANRHFSA-N 0 1 393.491 3.523 40 0 GHABMN 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395.488 3.778 40 0 GHABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000008302087 856400930 /nfs/dbraw/zinc/40/09/30/856400930.db2.gz QOGHAMOTJNFYHS-UHFFFAOYSA-N 0 1 398.488 3.837 40 0 GHABMN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009063465 856410193 /nfs/dbraw/zinc/41/01/93/856410193.db2.gz LRQYBYLILKSWPH-UHFFFAOYSA-N 0 1 384.451 3.853 40 0 GHABMN Cc1cccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2Br)c1 ZINC000409049705 231151192 /nfs/dbraw/zinc/15/11/92/231151192.db2.gz XWVKZKXLZBDZQH-OQLLNIDSSA-N 0 1 387.233 3.517 40 0 GHABMN O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707175 291134153 /nfs/dbraw/zinc/13/41/53/291134153.db2.gz OIYJBECTFSSSOH-SFHVURJKSA-N 0 1 392.463 3.601 40 0 biogenic,in-vitro GHABMN COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000034782052 206307205 /nfs/dbraw/zinc/30/72/05/206307205.db2.gz UFZBTKMONASSNL-NSIKDUERSA-N 0 1 393.226 3.761 40 0 GHABMN CC(=O)N1CCC(c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)CC1 ZINC000019014432 207099006 /nfs/dbraw/zinc/09/90/06/207099006.db2.gz XIMHVEURZNBXNH-NBVRZTHBSA-N 0 1 390.531 3.664 40 0 GHABMN COc1c(C)cccc1CN1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019235980 207110146 /nfs/dbraw/zinc/11/01/46/207110146.db2.gz QLEYLKZPFOBJHV-HXUWFJFHSA-N 0 1 390.487 3.876 40 0 GHABMN Cc1ccccc1-c1ncc(CN2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019237549 207111510 /nfs/dbraw/zinc/11/15/10/207111510.db2.gz KMQBMOCXFHMHFY-RUZDIDTESA-N 0 1 398.510 3.773 40 0 GHABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495975 207125520 /nfs/dbraw/zinc/12/55/20/207125520.db2.gz YZMSIZQOZDUXKP-LAGYLCCXSA-N 0 1 398.551 3.583 40 0 GHABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495975 207125522 /nfs/dbraw/zinc/12/55/22/207125522.db2.gz YZMSIZQOZDUXKP-LAGYLCCXSA-N 0 1 398.551 3.583 40 0 GHABMN Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)c1C ZINC000019558197 207133915 /nfs/dbraw/zinc/13/39/15/207133915.db2.gz RVHBFKRVAHAYCA-GOSISDBHSA-N 0 1 396.495 3.906 40 0 GHABMN COc1ccc(CN2C[C@@H](c3cc(F)ccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019555689 207132258 /nfs/dbraw/zinc/13/22/58/207132258.db2.gz RPISLIQAOTUPDY-SIKLNZKXSA-N 0 1 386.442 3.612 40 0 GHABMN Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)n[nH]2)cc1 ZINC000019666438 207147779 /nfs/dbraw/zinc/14/77/79/207147779.db2.gz VHACKICCRRJETP-LJQANCHMSA-N 0 1 376.460 3.602 40 0 GHABMN O=C(CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NC1CCOCC1 ZINC000019748328 207157808 /nfs/dbraw/zinc/15/78/08/207157808.db2.gz AOQSEFKCNSEOSQ-UHFFFAOYSA-N 0 1 384.442 3.603 40 0 GHABMN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000072362581 208006466 /nfs/dbraw/zinc/00/64/66/208006466.db2.gz RWANXUGWLQWSRB-QGZVFWFLSA-N 0 1 393.491 3.699 40 0 GHABMN O=S(=O)(N[C@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000096051633 208255291 /nfs/dbraw/zinc/25/52/91/208255291.db2.gz AAHDCUJLLFJGGC-FQEVSTJZSA-N 0 1 388.508 3.549 40 0 GHABMN Fc1ccc2nc(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2c1 ZINC000096112236 209009165 /nfs/dbraw/zinc/00/91/65/209009165.db2.gz MVXXCNPMCHADFK-UTKZUKDTSA-N 0 1 394.425 3.989 40 0 biogenic,in-vitro GHABMN Cc1c[nH]nc1[C@@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257288605 209068219 /nfs/dbraw/zinc/06/82/19/209068219.db2.gz PUWVTTBFBLRDRB-HSZRJFAPSA-N 0 1 391.471 3.831 40 0 GHABMN Cc1c[nH]nc1[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257288605 209068222 /nfs/dbraw/zinc/06/82/22/209068222.db2.gz PUWVTTBFBLRDRB-HSZRJFAPSA-N 0 1 391.471 3.831 40 0 GHABMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408611587 533269273 /nfs/dbraw/zinc/26/92/73/533269273.db2.gz UCJKLTKIHDFKIN-OAHLLOKOSA-N 0 1 396.390 3.931 40 0 GHABMN [NH3+][C@@H]1CCCN(c2c(C=C3SC(=O)[N-]C3=O)cccc2-c2ccccc2)C1 ZINC000095930183 136182681 /nfs/dbraw/zinc/18/26/81/136182681.db2.gz MCUJKPPARUPFJM-YAJBTMAUSA-N 0 1 379.485 3.605 40 0 in-man GHABMN Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1 ZINC000226330957 136192753 /nfs/dbraw/zinc/19/27/53/136192753.db2.gz KNJBNOOGAKXZBI-UHFFFAOYSA-N 0 1 393.318 3.888 40 0 GHABMN O=C([O-])COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](Oc4ccc(F)cc4)[C@@H]3C2)cc1 ZINC000257324830 209076593 /nfs/dbraw/zinc/07/65/93/209076593.db2.gz WQJKJPYOPYOIEM-DQLDELGASA-N 0 1 385.435 3.579 40 0 GHABMN COc1ccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)cc1 ZINC000072348770 222235604 /nfs/dbraw/zinc/23/56/04/222235604.db2.gz AVACYFUFKZZGER-LJQANCHMSA-N 0 1 379.504 3.559 40 0 GHABMN COc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348699 222235650 /nfs/dbraw/zinc/23/56/50/222235650.db2.gz SMOLOGPCSXIAJF-HXUWFJFHSA-N 0 1 393.531 3.949 40 0 GHABMN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccnc4ccccc34)C[C@@H]12 ZINC000072395850 222252534 /nfs/dbraw/zinc/25/25/34/222252534.db2.gz CDWYQZUYSWXARI-RDGATRHJSA-N 0 1 399.494 3.784 40 0 GHABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019766273 570217588 /nfs/dbraw/zinc/21/75/88/570217588.db2.gz ZNMDVBZKBDNJIQ-UHFFFAOYSA-N 0 1 387.487 3.812 40 0 GHABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000072371222 570340266 /nfs/dbraw/zinc/34/02/66/570340266.db2.gz IEHXKTDIXUHMMN-SFHVURJKSA-N 0 1 391.471 3.670 40 0 GHABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(SC)cc3)C(=O)NC2=S)cc1 ZINC000006604285 570376697 /nfs/dbraw/zinc/37/66/97/570376697.db2.gz LKAHMHHCHJMOEZ-SFQUDFHCSA-N 0 1 382.510 3.802 40 0 GHABMN COc1ccc([C@H]2CCCN2C[C@H](O)c2cc(F)ccc2OC)cc1OC ZINC000036734417 570568547 /nfs/dbraw/zinc/56/85/47/570568547.db2.gz GIGZBXOXQFJCKF-MSOLQXFVSA-N 0 1 375.440 3.722 40 0 GHABMN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1n[nH]c(-c2ccncc2)n1 ZINC000012114853 570610091 /nfs/dbraw/zinc/61/00/91/570610091.db2.gz HSLKPBBPQBKARM-CYBMUJFWSA-N 0 1 381.867 3.819 40 0 GHABMN Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012147534 570617330 /nfs/dbraw/zinc/61/73/30/570617330.db2.gz NFFKCFPILJWGNP-UHFFFAOYSA-N 0 1 381.823 3.847 40 0 GHABMN O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291531 570633391 /nfs/dbraw/zinc/63/33/91/570633391.db2.gz MYJQQIFPXGYGRN-LJQANCHMSA-N 0 1 396.453 3.684 40 0 GHABMN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293730 570634472 /nfs/dbraw/zinc/63/44/72/570634472.db2.gz WAINOKZUJMAMQA-PMACEKPBSA-N 0 1 389.442 3.657 40 0 GHABMN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000012408171 570654922 /nfs/dbraw/zinc/65/49/22/570654922.db2.gz DWROQQOWBDCFDS-PKOBYXMFSA-N 0 1 387.549 3.877 40 0 GHABMN Cc1ccc(CN2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257226444 570764118 /nfs/dbraw/zinc/76/41/18/570764118.db2.gz FKPXTENIBHIVIH-PZJWPPBQSA-N 0 1 380.488 3.991 40 0 GHABMN CCc1oc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1CN1CCCC1 ZINC000019521492 210255275 /nfs/dbraw/zinc/25/52/75/210255275.db2.gz HTODLJVHTQBKTN-QFIPXVFZSA-N 0 1 382.504 3.824 40 0 GHABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019521989 210254723 /nfs/dbraw/zinc/25/47/23/210254723.db2.gz ZOZGBDDKRXVPNY-SNVBAGLBSA-N 0 1 393.369 3.547 40 0 GHABMN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1)c1cccs1 ZINC000019400761 210247564 /nfs/dbraw/zinc/24/75/64/210247564.db2.gz OGCHUPSANHBIES-WIYYLYMNSA-N 0 1 392.528 3.921 40 0 GHABMN O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291528 209930419 /nfs/dbraw/zinc/93/04/19/209930419.db2.gz MYJQQIFPXGYGRN-IBGZPJMESA-N 0 1 396.453 3.684 40 0 GHABMN Cn1cc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306134856 212051030 /nfs/dbraw/zinc/05/10/30/212051030.db2.gz NZXAOSXIHIAFHP-KRWDZBQOSA-N 0 1 378.505 3.571 40 0 GHABMN Cc1noc(C)c1-c1nc([C@H]2CCCN(Cc3ncccc3F)C2)ccc1CO ZINC000257297009 212020436 /nfs/dbraw/zinc/02/04/36/212020436.db2.gz RFJNBBLPOACTDA-INIZCTEOSA-N 0 1 396.466 3.759 40 0 GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3cc(CO)[nH]n3)C2)cc1 ZINC000257230096 212007766 /nfs/dbraw/zinc/00/77/66/212007766.db2.gz GAUUQMPOLJWYFO-SFHVURJKSA-N 0 1 391.471 3.647 40 0 GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3cc(CO)n[nH]3)C2)cc1 ZINC000257230096 212007768 /nfs/dbraw/zinc/00/77/68/212007768.db2.gz GAUUQMPOLJWYFO-SFHVURJKSA-N 0 1 391.471 3.647 40 0 GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3cc(CO)n[nH]3)C2)cc1 ZINC000257230096 212007772 /nfs/dbraw/zinc/00/77/72/212007772.db2.gz GAUUQMPOLJWYFO-SFHVURJKSA-N 0 1 391.471 3.647 40 0 GHABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000257218704 212005824 /nfs/dbraw/zinc/00/58/24/212005824.db2.gz DEEOMUMKLVMWJZ-UHFFFAOYSA-N 0 1 380.492 3.583 40 0 GHABMN C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCCC2)C1 ZINC000257213691 212004106 /nfs/dbraw/zinc/00/41/06/212004106.db2.gz CIRAKSMSJMZEJJ-QHCPKHFHSA-N 0 1 399.510 3.771 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 ZINC000072372475 211103511 /nfs/dbraw/zinc/10/35/11/211103511.db2.gz MQRWEZXPHUOSEE-FQEVSTJZSA-N 0 1 396.539 3.546 40 0 GHABMN O=C(CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCCC1 ZINC000072358522 211098063 /nfs/dbraw/zinc/09/80/63/211098063.db2.gz ORRLRJCKHVZSJB-SFHVURJKSA-N 0 1 398.938 3.989 40 0 GHABMN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCOc3ccccc3)C2)no1 ZINC000072351298 211097738 /nfs/dbraw/zinc/09/77/38/211097738.db2.gz NNDAXXMGKOVQKN-GOSISDBHSA-N 0 1 397.519 3.996 40 0 GHABMN Cc1nn(C)cc1NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748831 210294023 /nfs/dbraw/zinc/29/40/23/210294023.db2.gz SZWZSPIWNKNXSP-UHFFFAOYSA-N 0 1 394.441 3.988 40 0 GHABMN CCc1ncc(CN2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 ZINC000019703757 210283718 /nfs/dbraw/zinc/28/37/18/210283718.db2.gz PHEOCRUSNGGWNF-HXUWFJFHSA-N 0 1 395.482 3.860 40 0 GHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 ZINC000019695538 210282513 /nfs/dbraw/zinc/28/25/13/210282513.db2.gz GSFZEULHVWIZJE-CYBMUJFWSA-N 0 1 381.402 3.803 40 0 GHABMN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cn(C)c3ccccc23)n1 ZINC000019573775 210268580 /nfs/dbraw/zinc/26/85/80/210268580.db2.gz RHXNMXQTEQIVAK-FQEVSTJZSA-N 0 1 392.503 3.648 40 0 GHABMN CC1=C[C@@H](CNC(=O)CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000072320802 560077289 /nfs/dbraw/zinc/07/72/89/560077289.db2.gz XGLILAULCYYTFS-FHWLQOOXSA-N 0 1 382.552 3.638 40 0 biogenic,in-vitro GHABMN O=C([O-])c1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000585261672 570228450 /nfs/dbraw/zinc/22/84/50/570228450.db2.gz RBRLLEYHSPLSGB-WMZHIEFXSA-N 0 1 396.462 3.552 40 0 GHABMN COc1ccc2nc(SCc3nc(-c4c(OC)cccc4OC)no3)[nH]c2c1 ZINC000008306758 570373273 /nfs/dbraw/zinc/37/32/73/570373273.db2.gz GZZYTKDMFKYWNZ-UHFFFAOYSA-N 0 1 398.444 3.931 40 0 GHABMN Cc1c(/C=C/C2=Nc3ccccc3[C@@H](O)N2CCCO)c2ccccc2n1C ZINC000005042781 570425506 /nfs/dbraw/zinc/42/55/06/570425506.db2.gz NHGBQRAMMNBYIA-MDRMPYQZSA-N 0 1 375.472 3.919 40 0 GHABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000223642087 570476128 /nfs/dbraw/zinc/47/61/28/570476128.db2.gz IWDVOGFNRVVPBD-UHFFFAOYSA-N 0 1 383.853 3.715 40 0 GHABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(OC)cc1)CCCC3 ZINC000035079586 570549173 /nfs/dbraw/zinc/54/91/73/570549173.db2.gz ZNRGREFWBCWZAU-IBGZPJMESA-N 0 1 393.487 3.946 40 0 GHABMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)OCO2 ZINC000001351250 570573095 /nfs/dbraw/zinc/57/30/95/570573095.db2.gz CJJADADTEOYXQP-UHFFFAOYSA-N 0 1 375.446 3.716 40 0 GHABMN CCCn1c2ccc(S(=O)(=O)Nc3ccccc3OCC)cc2sc1=O ZINC000225722081 570608764 /nfs/dbraw/zinc/60/87/64/570608764.db2.gz UQOOGTJRCXSRSB-UHFFFAOYSA-N 0 1 392.502 3.673 40 0 GHABMN COc1ccc(OC)c(-c2cc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)n[nH]2)c1 ZINC000012116941 570611385 /nfs/dbraw/zinc/61/13/85/570611385.db2.gz YYOJZWHDWUCOCK-NRFANRHFSA-N 0 1 394.475 3.749 40 0 GHABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)c(C)s2)no1 ZINC000006680200 570674323 /nfs/dbraw/zinc/67/43/23/570674323.db2.gz AGHIZYSCJBQMIG-UHFFFAOYSA-N 0 1 395.437 3.545 40 0 GHABMN Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)s1 ZINC000585103683 570929110 /nfs/dbraw/zinc/92/91/10/570929110.db2.gz FHFOLQGTXVVVGM-VGSWGCGISA-N 0 1 399.560 3.572 40 0 GHABMN C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1cccc(F)c1)C2 ZINC000585104674 570933424 /nfs/dbraw/zinc/93/34/24/570933424.db2.gz QPIQQQQCQBSKIA-WZONZLPQSA-N 0 1 382.479 3.638 40 0 GHABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000007468824 856392943 /nfs/dbraw/zinc/39/29/43/856392943.db2.gz DFGYSEQXZIMQBO-DEDYPNTBSA-N 0 1 391.471 3.807 40 0 GHABMN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000012089235 856418630 /nfs/dbraw/zinc/41/86/30/856418630.db2.gz FRVOJLFGVAITKY-RTBURBONSA-N 0 1 384.549 3.798 40 0 GHABMN COc1cc(C)c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000033644226 856438093 /nfs/dbraw/zinc/43/80/93/856438093.db2.gz BIEAXESOMWKITO-MHWRWJLKSA-N 0 1 396.468 3.992 40 0 GHABMN CCOc1cc([C@@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)ccc1OC ZINC000095534433 860614169 /nfs/dbraw/zinc/61/41/69/860614169.db2.gz FGTDJPKBURIWQY-MRXNPFEDSA-N 0 1 392.381 3.946 40 0 GHABMN COc1cc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000019549838 210259794 /nfs/dbraw/zinc/25/97/94/210259794.db2.gz JDHUWIXOHOJBKF-UHFFFAOYSA-N 0 1 396.531 3.562 40 0 GHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000019288903 210238166 /nfs/dbraw/zinc/23/81/66/210238166.db2.gz YAPFCYBGHRXHTD-KRWDZBQOSA-N 0 1 396.510 3.663 40 0 GHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306123515 212045774 /nfs/dbraw/zinc/04/57/74/212045774.db2.gz APDWXVPDKRSAJI-PKTZIBPZSA-N 0 1 387.483 3.578 40 0 GHABMN CCn1cc(CN2CCC[C@@]3(C2)CC=CCN(CCc2ccccc2)C3=O)cn1 ZINC000257230519 212006777 /nfs/dbraw/zinc/00/67/77/212006777.db2.gz GCSFBPPYOFTEGH-XMMPIXPASA-N 0 1 392.547 3.516 40 0 GHABMN Cn1cncc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000257207710 212003788 /nfs/dbraw/zinc/00/37/88/212003788.db2.gz BIWZUKMCBZCILR-GOSISDBHSA-N 0 1 376.460 3.560 40 0 GHABMN Cc1nc(CN2CC[C@]3(C2)CN(Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323153 /nfs/dbraw/zinc/32/31/53/211323153.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 0 1 378.492 3.580 40 0 GHABMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccnc1)CC2 ZINC000096037036 211295837 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CCOc1ccccc1NS(=O)(=O)c1ccc(OCC)c(NC(=O)CC)c1 ZINC000408698070 528746619 /nfs/dbraw/zinc/74/66/19/528746619.db2.gz NFWYOWZDBSLOCR-UHFFFAOYSA-N 0 1 392.477 3.633 40 0 GHABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113950504 535818173 /nfs/dbraw/zinc/81/81/73/535818173.db2.gz HIJFJUJNBZSLJM-HXUWFJFHSA-N 0 1 387.911 3.888 40 0 GHABMN CCCN1CCCC[C@@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 ZINC000019766529 570217765 /nfs/dbraw/zinc/21/77/65/570217765.db2.gz QJYLNIPXFVNFBZ-HXUWFJFHSA-N 0 1 382.508 3.661 40 0 GHABMN CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000020765158 570282969 /nfs/dbraw/zinc/28/29/69/570282969.db2.gz DOECBEMSXQZMGM-UHFFFAOYSA-N 0 1 396.472 3.688 40 0 GHABMN COc1ccc2cnc(C3CCN(CC(=O)C4CCOCC4)CC3)cc2c1C ZINC000012188160 570621751 /nfs/dbraw/zinc/62/17/51/570621751.db2.gz LETOZLVFDPCMAI-UHFFFAOYSA-N 0 1 382.504 3.727 40 0 GHABMN COc1ccc(C(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1OC ZINC000005626042 570665683 /nfs/dbraw/zinc/66/56/83/570665683.db2.gz PMIWVYPJYMKUIE-UHFFFAOYSA-N 0 1 379.460 3.908 40 0 GHABMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000007402268 570758585 /nfs/dbraw/zinc/75/85/85/570758585.db2.gz QIYOKZASHZYERV-UHFFFAOYSA-N 0 1 376.659 3.912 40 0 GHABMN COc1cccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019565231 210264902 /nfs/dbraw/zinc/26/49/02/210264902.db2.gz AYRHASJNQBFAIH-FQEVSTJZSA-N 0 1 376.460 3.980 40 0 GHABMN C[C@H]1Cc2cc(CCC(=O)NCCc3nc4ccc(Cl)cc4[nH]3)ccc2O1 ZINC000019498134 210253464 /nfs/dbraw/zinc/25/34/64/210253464.db2.gz GXNVEBKSSQURJB-ZDUSSCGKSA-N 0 1 383.879 3.831 40 0 GHABMN CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450570 210249326 /nfs/dbraw/zinc/24/93/26/210249326.db2.gz MICKLBNNBLSUCG-GOSISDBHSA-N 0 1 390.487 3.609 40 0 GHABMN CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450570 210249328 /nfs/dbraw/zinc/24/93/28/210249328.db2.gz MICKLBNNBLSUCG-GOSISDBHSA-N 0 1 390.487 3.609 40 0 GHABMN CCOC(=O)CSc1ccc(C)cc1C(O)(C(F)(F)F)C(F)(F)F ZINC000001559254 209332053 /nfs/dbraw/zinc/33/20/53/209332053.db2.gz HBUXUVXTDYGZFN-UHFFFAOYSA-N 0 1 376.318 3.962 40 0 GHABMN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 ZINC000226263562 209187419 /nfs/dbraw/zinc/18/74/19/209187419.db2.gz CAQFCXQDXZUBFS-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN COc1cccc(N2CCC([N@@H+](CC(=O)[O-])Cc3cccc(Cl)c3)CC2)c1 ZINC000257340143 212027987 /nfs/dbraw/zinc/02/79/87/212027987.db2.gz ZETDSSDQKFRSLK-UHFFFAOYSA-N 0 1 388.895 3.904 40 0 GHABMN CC(C)C(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000257321887 212023405 /nfs/dbraw/zinc/02/34/05/212023405.db2.gz WDRQYPKBUBRGQR-NRFANRHFSA-N 0 1 385.508 3.711 40 0 GHABMN Cc1noc(C)c1CN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096216034 211319763 /nfs/dbraw/zinc/31/97/63/211319763.db2.gz LQHAJEZZABWAEI-QHCPKHFHSA-N 0 1 392.503 3.901 40 0 GHABMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2 ZINC000096037028 211296819 /nfs/dbraw/zinc/29/68/19/211296819.db2.gz APVZTBSGUSCERE-UHFFFAOYSA-N 0 1 376.504 3.970 40 0 GHABMN COc1ccccc1-c1cccc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072348768 211095587 /nfs/dbraw/zinc/09/55/87/211095587.db2.gz UIIISGVLNCDFRF-GOSISDBHSA-N 0 1 379.504 3.559 40 0 GHABMN O=C(CN1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359680 211100729 /nfs/dbraw/zinc/10/07/29/211100729.db2.gz YFMWGPNCQXXOSB-KRWDZBQOSA-N 0 1 384.911 3.599 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690274 210282294 /nfs/dbraw/zinc/28/22/94/210282294.db2.gz MTNXYVHFWJIOBN-UHFFFAOYSA-N 0 1 383.511 3.859 40 0 GHABMN CCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980715 535742682 /nfs/dbraw/zinc/74/26/82/535742682.db2.gz LMXYDSRSLZUCIX-UHFFFAOYSA-N 0 1 379.483 3.556 40 0 GHABMN COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039773506 570446547 /nfs/dbraw/zinc/44/65/47/570446547.db2.gz XNWPLBZOTYCKNU-UHFFFAOYSA-N 0 1 384.495 3.795 40 0 GHABMN CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000223627325 570475450 /nfs/dbraw/zinc/47/54/50/570475450.db2.gz LTRLJPOQXMKBLS-CYBMUJFWSA-N 0 1 380.514 3.640 40 0 GHABMN COCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000223933260 570491013 /nfs/dbraw/zinc/49/10/13/570491013.db2.gz KWYGPOXMEJAXAG-UHFFFAOYSA-N 0 1 396.468 3.886 40 0 GHABMN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000225650877 570597988 /nfs/dbraw/zinc/59/79/88/570597988.db2.gz IPIPPWJOFSMAJA-SFHVURJKSA-N 0 1 393.531 3.723 40 0 GHABMN CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225694064 570604014 /nfs/dbraw/zinc/60/40/14/570604014.db2.gz WPVWBWXJYDIXTB-UHFFFAOYSA-N 0 1 394.543 3.996 40 0 GHABMN COc1ccccc1C1(O)CCN(Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000012292892 570633669 /nfs/dbraw/zinc/63/36/69/570633669.db2.gz AHNZCKHZVLYJJD-UHFFFAOYSA-N 0 1 391.471 3.761 40 0 GHABMN CN(CCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000044916808 570642895 /nfs/dbraw/zinc/64/28/95/570642895.db2.gz HEIWRVJZJKJDTQ-UHFFFAOYSA-N 0 1 385.939 3.805 40 0 GHABMN COc1ccccc1C1(O)CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000012330692 570644661 /nfs/dbraw/zinc/64/46/61/570644661.db2.gz VUYNZRLSOCWRML-UHFFFAOYSA-N 0 1 381.451 3.504 40 0 GHABMN CCS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(Cl)cc1Cl ZINC000096532197 570755933 /nfs/dbraw/zinc/75/59/33/570755933.db2.gz OMUVRKAGVUEPSD-UHFFFAOYSA-N 0 1 376.290 3.974 40 0 GHABMN CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCC(N)=O ZINC000008253783 570766048 /nfs/dbraw/zinc/76/60/48/570766048.db2.gz RMEFAAMPJGENAC-UHFFFAOYSA-N 0 1 383.275 3.546 40 0 GHABMN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1C ZINC000009063522 856409778 /nfs/dbraw/zinc/40/97/78/856409778.db2.gz OFVZQXRPHUIFBQ-UHFFFAOYSA-N 0 1 384.451 3.771 40 0 GHABMN COc1ccc(OC)c(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000019551485 210261684 /nfs/dbraw/zinc/26/16/84/210261684.db2.gz VGWWWOJUMPEVOR-UHFFFAOYSA-N 0 1 380.448 3.528 40 0 GHABMN COc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019555281 210260720 /nfs/dbraw/zinc/26/07/20/210260720.db2.gz 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VTTJLAIMEGERMD-UHFFFAOYSA-N 0 1 391.515 3.793 40 0 GHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000012667014 570696908 /nfs/dbraw/zinc/69/69/08/570696908.db2.gz XFJWVYHRXBAJKU-UHFFFAOYSA-N 0 1 388.393 3.889 40 0 GHABMN O=c1c2c(nc3cc(C4CC4)[n-]n31)CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000012667014 570696911 /nfs/dbraw/zinc/69/69/11/570696911.db2.gz XFJWVYHRXBAJKU-UHFFFAOYSA-N 0 1 388.393 3.889 40 0 GHABMN Cc1ccc(CN2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)s1 ZINC000012667167 570696950 /nfs/dbraw/zinc/69/69/50/570696950.db2.gz VVYQUUYAENTLLC-UHFFFAOYSA-N 0 1 380.473 3.932 40 0 GHABMN CCOc1c(Br)cc(CNCc2ccc3c(c2)OCO3)cc1OC ZINC000008253357 570765992 /nfs/dbraw/zinc/76/59/92/570765992.db2.gz OTXODVKVJYMSGW-UHFFFAOYSA-N 0 1 394.265 3.875 40 0 GHABMN Cc1nc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 ZINC000585103681 570929244 /nfs/dbraw/zinc/92/92/44/570929244.db2.gz FHFOLQGTXVVVGM-JTSKRJEESA-N 0 1 399.560 3.572 40 0 GHABMN O=C(c1ccc(Br)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000238934031 570981429 /nfs/dbraw/zinc/98/14/29/570981429.db2.gz VIGJAYYCTYTHJJ-IBGZPJMESA-N 0 1 385.305 3.722 40 0 GHABMN COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)c1 ZINC000007604798 856393697 /nfs/dbraw/zinc/39/36/97/856393697.db2.gz BRJSTDVTTMXFME-UHFFFAOYSA-N 0 1 395.444 3.831 40 0 GHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000008477309 856407192 /nfs/dbraw/zinc/40/71/92/856407192.db2.gz BEYXMSOHTMZVGP-XMHGGMMESA-N 0 1 390.439 3.670 40 0 GHABMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2ccccc2)CC1 ZINC000019496080 210252483 /nfs/dbraw/zinc/25/24/83/210252483.db2.gz CVYRNNCQDGBQPZ-IAGOWNOFSA-N 0 1 394.519 3.833 40 0 GHABMN Cn1ccnc1[C@@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000019291181 210237416 /nfs/dbraw/zinc/23/74/16/210237416.db2.gz HISDHZJSKBUWOC-SFTDATJTSA-N 0 1 392.478 3.602 40 0 GHABMN COc1cccc(CN2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306139700 212052736 /nfs/dbraw/zinc/05/27/36/212052736.db2.gz TXYROJXOXSRKAE-NHCUHLMSSA-N 0 1 393.512 3.640 40 0 GHABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CC)n1 ZINC000328991920 209156561 /nfs/dbraw/zinc/15/65/61/209156561.db2.gz ITAOVVWWGIPLBZ-CYBMUJFWSA-N 0 1 389.341 3.997 40 0 GHABMN Cc1cccc(NC(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC000096239947 211323070 /nfs/dbraw/zinc/32/30/70/211323070.db2.gz RBUIYVVDBKJRLE-UHFFFAOYSA-N 0 1 394.519 3.537 40 0 GHABMN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cnc(C)nc4)C3)cc2n1 ZINC000072397142 211111981 /nfs/dbraw/zinc/11/19/81/211111981.db2.gz ZVJZETCGGDMJDI-HNNXBMFYSA-N 0 1 390.413 3.535 40 0 GHABMN C[C@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1 ZINC000019748773 210293849 /nfs/dbraw/zinc/29/38/49/210293849.db2.gz QBZZVXXKBPPSFD-HNNXBMFYSA-N 0 1 384.549 3.904 40 0 GHABMN CC1CCN(c2ccc(C(=O)NC3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000019715584 210287736 /nfs/dbraw/zinc/28/77/36/210287736.db2.gz OJWYDOJKWOMFGU-UHFFFAOYSA-N 0 1 392.547 3.712 40 0 GHABMN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2Cc2cnn(C)c2)n1 ZINC000019690122 210281937 /nfs/dbraw/zinc/28/19/37/210281937.db2.gz KVIZXDDEOLWRFE-LJQANCHMSA-N 0 1 396.926 3.934 40 0 GHABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000408677327 528264486 /nfs/dbraw/zinc/26/44/86/528264486.db2.gz CMYYPMIPRSCLFP-UHFFFAOYSA-N 0 1 377.462 3.796 40 0 GHABMN CN1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn42)CCCC3)CC1 ZINC000004980658 536417761 /nfs/dbraw/zinc/41/77/61/536417761.db2.gz ORWAODNCLAZUOX-UHFFFAOYSA-N 0 1 381.911 3.680 40 0 GHABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccccc3)n2)cc1 ZINC000015675786 560094949 /nfs/dbraw/zinc/09/49/49/560094949.db2.gz NARZPYAVOFDOIV-IBGZPJMESA-N 0 1 385.427 3.708 40 0 biogenic,in-vitro GHABMN O=C([O-])c1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000585261668 570228346 /nfs/dbraw/zinc/22/83/46/570228346.db2.gz AFIHPWJFZILKQR-WMZHIEFXSA-N 0 1 396.462 3.552 40 0 GHABMN [NH3+][C@H]1CCCN(c2c(C=C3SC(=O)[N-]C3=O)cccc2-c2ccccc2)C1 ZINC000209730730 570308301 /nfs/dbraw/zinc/30/83/01/570308301.db2.gz MCUJKPPARUPFJM-IQFISFIMSA-N 0 1 379.485 3.605 40 0 in-man GHABMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000022446609 570317240 /nfs/dbraw/zinc/31/72/40/570317240.db2.gz BJWLIQNCLGRWFV-KELGSRBJSA-N 0 1 388.596 3.643 40 0 GHABMN Cc1cc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl ZINC000023586858 570366464 /nfs/dbraw/zinc/36/64/64/570366464.db2.gz QSEVKSZRTJEOGY-IBGZPJMESA-N 0 1 392.902 3.658 40 0 GHABMN Cc1cccc(N2CCN(C[C@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000027386127 570434197 /nfs/dbraw/zinc/43/41/97/570434197.db2.gz LYVGGIYZANVOGQ-QFIPXVFZSA-N 0 1 376.500 3.710 40 0 GHABMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)c2ccccc2)n1 ZINC000006464134 570480724 /nfs/dbraw/zinc/48/07/24/570480724.db2.gz OXZYTMOWKDZAGX-UHFFFAOYSA-N 0 1 388.880 3.889 40 0 GHABMN O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224537412 570517186 /nfs/dbraw/zinc/51/71/86/570517186.db2.gz FLNAVERYOIEFJF-UHFFFAOYSA-N 0 1 390.886 3.886 40 0 GHABMN O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccncc2)C1)C1CCCC1 ZINC000012089240 570607332 /nfs/dbraw/zinc/60/73/32/570607332.db2.gz ROSVHNIZALBHPU-OALUTQOASA-N 0 1 384.549 3.798 40 0 GHABMN CCn1cc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)c(C)n1 ZINC000012147731 570617239 /nfs/dbraw/zinc/61/72/39/570617239.db2.gz CZOFXOXYXGCAQU-UHFFFAOYSA-N 0 1 390.553 3.777 40 0 GHABMN COc1cc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)cc(OC)c1O ZINC000012187106 570621410 /nfs/dbraw/zinc/62/14/10/570621410.db2.gz XGDPDHWOBTYOJX-GOSISDBHSA-N 0 1 375.440 3.730 40 0 GHABMN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000004858302 570639252 /nfs/dbraw/zinc/63/92/52/570639252.db2.gz IHIHIQPIWTWLQG-UHFFFAOYSA-N 0 1 394.441 3.623 40 0 GHABMN C=C1N=C(SCCC)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408990985 570689797 /nfs/dbraw/zinc/68/97/97/570689797.db2.gz PGXPWIIPTDQKIS-KRWDZBQOSA-N 0 1 378.494 3.684 40 0 GHABMN O=C(c1ccccc1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704428 856425199 /nfs/dbraw/zinc/42/51/99/856425199.db2.gz NUAXCSMLLZZFIK-KRWDZBQOSA-N 0 1 398.470 3.595 40 0 GHABMN CCOc1cc([C@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)ccc1OC ZINC000095534432 860613970 /nfs/dbraw/zinc/61/39/70/860613970.db2.gz FGTDJPKBURIWQY-INIZCTEOSA-N 0 1 392.381 3.946 40 0 GHABMN COc1ccc(C2(CNC(=O)CCc3n[nH]c4c3CCCC4)CCCC2)cc1 ZINC000019553775 210262294 /nfs/dbraw/zinc/26/22/94/210262294.db2.gz DZAPIWKSRIENAS-UHFFFAOYSA-N 0 1 381.520 3.858 40 0 GHABMN O=c1cc(C[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)nc(-c2ccccn2)[n-]1 ZINC000019372689 210247047 /nfs/dbraw/zinc/24/70/47/210247047.db2.gz MFVKFGCGCATWQV-JOCHJYFZSA-N 0 1 382.467 3.906 40 0 GHABMN Cn1ccnc1[C@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000019291183 210237379 /nfs/dbraw/zinc/23/73/79/210237379.db2.gz HISDHZJSKBUWOC-RTWAWAEBSA-N 0 1 392.478 3.602 40 0 GHABMN Cc1ncsc1CN1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306143683 212054955 /nfs/dbraw/zinc/05/49/55/212054955.db2.gz YIXWWTMAWZEQFT-HXUWFJFHSA-N 0 1 396.541 3.712 40 0 GHABMN Cc1ccsc1CN1C[C@@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306137340 212053261 /nfs/dbraw/zinc/05/32/61/212053261.db2.gz QTQIYUJCZZTEEP-QZTJIDSGSA-N 0 1 398.557 3.704 40 0 GHABMN Cc1ccsc1CN1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132584 212049341 /nfs/dbraw/zinc/04/93/41/212049341.db2.gz LMWJDDYVHPYUFZ-LJQANCHMSA-N 0 1 395.576 3.793 40 0 GHABMN Cc1noc(C)c1-c1nc([C@@H]2CCCN(Cc3ncccc3F)C2)ccc1CO ZINC000257297010 212020169 /nfs/dbraw/zinc/02/01/69/212020169.db2.gz RFJNBBLPOACTDA-MRXNPFEDSA-N 0 1 396.466 3.759 40 0 GHABMN CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCCC2)CC1 ZINC000257303369 212019790 /nfs/dbraw/zinc/01/97/90/212019790.db2.gz SGXDSWWXOCGSBZ-UHFFFAOYSA-N 0 1 399.510 3.771 40 0 GHABMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000257295315 212019362 /nfs/dbraw/zinc/01/93/62/212019362.db2.gz QXVRVGHGSANMQI-HZPDHXFCSA-N 0 1 388.556 3.955 40 0 GHABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CC)n1 ZINC000329037120 209157053 /nfs/dbraw/zinc/15/70/53/209157053.db2.gz RMIBDMMNKRAKMG-CYBMUJFWSA-N 0 1 389.341 3.997 40 0 GHABMN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328966268 209153408 /nfs/dbraw/zinc/15/34/08/209153408.db2.gz CKQCTXZRTKKTCW-OXQOHEQNSA-N 0 1 398.551 3.645 40 0 GHABMN Cc1nc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323636 /nfs/dbraw/zinc/32/36/36/211323636.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 0 1 378.492 3.580 40 0 GHABMN COc1cc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)ccc1O ZINC000072396689 211112562 /nfs/dbraw/zinc/11/25/62/211112562.db2.gz NIJSYJOFGQYANM-AWEZNQCLSA-N 0 1 386.477 3.595 40 0 GHABMN CCn1cncc1CN1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 ZINC000019578609 210270754 /nfs/dbraw/zinc/27/07/54/210270754.db2.gz JBKYWQSEABBUJM-UHFFFAOYSA-N 0 1 392.429 3.653 40 0 GHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408616618 533422597 /nfs/dbraw/zinc/42/25/97/533422597.db2.gz ARBOMJXUTUZCDS-UHFFFAOYSA-N 0 1 392.786 3.983 40 0 GHABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OCC)c2)NC(=S)N1 ZINC000408606633 528065898 /nfs/dbraw/zinc/06/58/98/528065898.db2.gz JILAKRMNTMNDHX-GOSISDBHSA-N 0 1 392.521 3.620 40 0 GHABMN CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000408545430 528551287 /nfs/dbraw/zinc/55/12/87/528551287.db2.gz LOPVCFQSINVLAG-UHFFFAOYSA-N 0 1 380.897 3.979 40 0 GHABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2OC)n1 ZINC000408528293 528700624 /nfs/dbraw/zinc/70/06/24/528700624.db2.gz VQNZUYUOGHCNHP-UHFFFAOYSA-N 0 1 384.461 3.610 40 0 GHABMN CCCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514290140 560030675 /nfs/dbraw/zinc/03/06/75/560030675.db2.gz SKFPIBHDPPDWGX-CMKODMSKSA-N 0 1 376.497 3.594 40 0 biogenic,in-vitro GHABMN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CCCc3ccccc3)n2)cc1F ZINC000015674314 560231102 /nfs/dbraw/zinc/23/11/02/560231102.db2.gz JEKOPMWARJCNOI-QUCCMNQESA-N 0 1 381.451 3.925 40 0 biogenic,in-vitro GHABMN CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC)cc1 ZINC000223004650 570436714 /nfs/dbraw/zinc/43/67/14/570436714.db2.gz SEVZBQXEGVXRLS-UHFFFAOYSA-N 0 1 397.880 3.645 40 0 GHABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2oc1=O ZINC000223361991 570461789 /nfs/dbraw/zinc/46/17/89/570461789.db2.gz RPFGHZSOPOESNB-UHFFFAOYSA-N 0 1 380.853 3.685 40 0 GHABMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1Cl ZINC000223835077 570486299 /nfs/dbraw/zinc/48/62/99/570486299.db2.gz KRLYMMWIRRTXHQ-UHFFFAOYSA-N 0 1 383.853 3.715 40 0 GHABMN CC(=O)C=C(O)CSc1nc2ccccc2c2nc(-c3ccc(F)cc3)nn21 ZINC000009937948 570563106 /nfs/dbraw/zinc/56/31/06/570563106.db2.gz QUVOMHSGWUJXOW-UHFFFAOYSA-N 0 1 394.431 3.724 40 0 GHABMN Cc1nccc(-c2ccc(-c3noc(CN(CCO)C4CCCCC4)n3)cc2)n1 ZINC000012337085 570644708 /nfs/dbraw/zinc/64/47/08/570644708.db2.gz GCZDDPJDNRENPN-UHFFFAOYSA-N 0 1 393.491 3.629 40 0 GHABMN COc1cc(C[N@H+]2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc(OC)c1 ZINC000012337790 570645138 /nfs/dbraw/zinc/64/51/38/570645138.db2.gz AWLZJVCASGOTKG-FQEVSTJZSA-N 0 1 396.491 3.796 40 0 GHABMN O=c1nc(CSc2nc(-c3ccccc3)n[nH]2)[nH]c2sc3c(c21)CCCC3 ZINC000006082720 856376138 /nfs/dbraw/zinc/37/61/38/856376138.db2.gz KUJKHTJJDDGYLC-UHFFFAOYSA-N 0 1 395.513 3.941 40 0 GHABMN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000006418842 856380555 /nfs/dbraw/zinc/38/05/55/856380555.db2.gz UAIPQOPNTOKFNY-GOSISDBHSA-N 0 1 381.520 3.969 40 0 GHABMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc2c1OCO2 ZINC000008084380 856398417 /nfs/dbraw/zinc/39/84/17/856398417.db2.gz NVPTYLLCMOXGEA-IFRROFPPSA-N 0 1 383.282 3.797 40 0 GHABMN C[C@H]1CCCCN1[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000019496325 856421064 /nfs/dbraw/zinc/42/10/64/856421064.db2.gz LDIYXNVMTYBEDU-CKJXQJPGSA-N 0 1 393.487 3.960 40 0 GHABMN CCc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl ZINC000217429111 893570968 /nfs/dbraw/zinc/57/09/68/893570968.db2.gz FUCDPZSJDBAWEN-UHFFFAOYSA-N 0 1 376.865 3.853 40 0 GHABMN O=C(NCc1noc(-c2ccc(Cl)cc2)n1)c1[nH]nc2c1CCCCCC2 ZINC000019336946 210242033 /nfs/dbraw/zinc/24/20/33/210242033.db2.gz NKZDXKPBPQWHJB-UHFFFAOYSA-N 0 1 385.855 3.702 40 0 GHABMN Cc1ccc2nc(CCc3ccc(NC(=O)[C@H](C)Cn4cncn4)cc3)[nH]c2c1 ZINC000019221547 210232000 /nfs/dbraw/zinc/23/20/00/210232000.db2.gz VZYODTDJOHIOMH-MRXNPFEDSA-N 0 1 388.475 3.523 40 0 GHABMN COc1cccc(OC)c1CN[C@@H]1CCCN(C(C)=O)[C@H]1c1ccc(C)s1 ZINC000019217318 210230405 /nfs/dbraw/zinc/23/04/05/210230405.db2.gz BGYNHNKOQJGBLC-DYESRHJHSA-N 0 1 388.533 3.916 40 0 GHABMN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)C1 ZINC000019014422 210221257 /nfs/dbraw/zinc/22/12/57/210221257.db2.gz PUVBLLONDPUBOJ-DILWRCETSA-N 0 1 390.531 3.664 40 0 GHABMN C[C@H](NC(=O)C1(c2ccccc2)CCCCC1)c1n[nH]c(-c2ccncc2)n1 ZINC000012144630 209913646 /nfs/dbraw/zinc/91/36/46/209913646.db2.gz UENSZKTYRNSWCH-INIZCTEOSA-N 0 1 375.476 3.946 40 0 GHABMN Cc1ccc(NCc2oc(=O)c(CNc3ccc(C)cc3)c(O)c2CO)cc1 ZINC000001719142 209337640 /nfs/dbraw/zinc/33/76/40/209337640.db2.gz ZDXARMQBXONBAK-UHFFFAOYSA-N 0 1 380.444 3.679 40 0 GHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccs4)C[C@H]32)cc1 ZINC000306131837 212049559 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Cn1c(-c2ccccc2)cnc1NC(=O)CC1CCN(Cc2ccccn2)CC1 ZINC000019748606 210294033 /nfs/dbraw/zinc/29/40/33/210294033.db2.gz KGXCRKFVGNQPRG-UHFFFAOYSA-N 0 1 389.503 3.723 40 0 GHABMN CCc1ncc(CN2CCC(Cc3cc(N4CCCCC4)nc(C)n3)CC2)cn1 ZINC000019758957 210293672 /nfs/dbraw/zinc/29/36/72/210293672.db2.gz QXINXFYJZXYZQO-UHFFFAOYSA-N 0 1 394.567 3.582 40 0 GHABMN C[C@]1(CNC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC000019745368 210291786 /nfs/dbraw/zinc/29/17/86/210291786.db2.gz YJBMDOPVBKFCII-HXUWFJFHSA-N 0 1 398.469 3.993 40 0 GHABMN COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)[nH]n2)cc1 ZINC000019660055 210277829 /nfs/dbraw/zinc/27/78/29/210277829.db2.gz AJQFXOSCVXGOSS-UHFFFAOYSA-N 0 1 391.406 3.722 40 0 GHABMN CCn1ccnc1CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(C)=O ZINC000019578086 210270219 /nfs/dbraw/zinc/27/02/19/210270219.db2.gz JPNNISXEAPIBDR-MQSCRBSSSA-N 0 1 380.536 3.662 40 0 GHABMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113953829 136192095 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0 GHABMN Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257308302 212021548 /nfs/dbraw/zinc/02/15/48/212021548.db2.gz TWFZIXZUHVLJQT-SFHVURJKSA-N 0 1 388.471 3.804 40 0 GHABMN CC(C)(C)c1ccc(OCC(=O)[O-])c(C[N@H+]2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1 ZINC000257278864 212016811 /nfs/dbraw/zinc/01/68/11/212016811.db2.gz ODYPPPRJXZMKPW-JUXOCIIHSA-N 0 1 375.509 3.573 40 0 GHABMN CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329032283 209158085 /nfs/dbraw/zinc/15/80/85/209158085.db2.gz QOPIDPKFDGHGJW-GFCCVEGCSA-N 0 1 375.314 3.783 40 0 GHABMN C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCCCC2)C1 ZINC000257213690 212002865 /nfs/dbraw/zinc/00/28/65/212002865.db2.gz CIRAKSMSJMZEJJ-HSZRJFAPSA-N 0 1 399.510 3.771 40 0 GHABMN Clc1cccc(CN2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)c1 ZINC000096244100 211324618 /nfs/dbraw/zinc/32/46/18/211324618.db2.gz HTPFAWCGKSGPCY-OAQYLSRUSA-N 0 1 384.911 3.626 40 0 GHABMN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053330 211298364 /nfs/dbraw/zinc/29/83/64/211298364.db2.gz QCFJVGVWCVNLID-FQEVSTJZSA-N 0 1 393.531 3.897 40 0 GHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053436 211298058 /nfs/dbraw/zinc/29/80/58/211298058.db2.gz SVNRACWJOKRQAZ-LJQANCHMSA-N 0 1 391.515 3.651 40 0 GHABMN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccccn2)c1 ZINC000072376878 211106355 /nfs/dbraw/zinc/10/63/55/211106355.db2.gz LHTUETFGSFGLMS-HXUWFJFHSA-N 0 1 375.476 3.857 40 0 GHABMN Cc1cccc(Cc2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348778 211095982 /nfs/dbraw/zinc/09/59/82/211095982.db2.gz FUESCDUSYCFDFH-OAQYLSRUSA-N 0 1 377.532 3.783 40 0 GHABMN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020488923 210341233 /nfs/dbraw/zinc/34/12/33/210341233.db2.gz RWIFGALUXRMZEM-MDWZMJQESA-N 0 1 393.468 3.843 40 0 GHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408917500 533472181 /nfs/dbraw/zinc/47/21/81/533472181.db2.gz VTFKDFWYNOBMGN-VGOFMYFVSA-N 0 1 393.226 3.761 40 0 GHABMN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000219052070 136204073 /nfs/dbraw/zinc/20/40/73/136204073.db2.gz WDHYNHYSMVLFDP-SFHVURJKSA-N 0 1 389.499 3.998 40 0 GHABMN COc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000192680932 533873641 /nfs/dbraw/zinc/87/36/41/533873641.db2.gz LDSLDERZUGZYEA-UHFFFAOYSA-N 0 1 388.880 3.788 40 0 GHABMN Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)[nH]c2cc1C ZINC000096112332 560060808 /nfs/dbraw/zinc/06/08/08/560060808.db2.gz KVAAPTLTWRRLLM-XLIONFOSSA-N 0 1 397.450 3.617 40 0 biogenic,in-vitro GHABMN Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)[nH]c2cc1C ZINC000096112332 560060810 /nfs/dbraw/zinc/06/08/10/560060810.db2.gz KVAAPTLTWRRLLM-XLIONFOSSA-N 0 1 397.450 3.617 40 0 biogenic,in-vitro GHABMN COc1ccc(-c2cccc(C(=O)N3CCC(N4CCOCC4)CC3)c2C)cc1 ZINC000585293977 570263602 /nfs/dbraw/zinc/26/36/02/570263602.db2.gz FXUCEQNZUVQLTG-UHFFFAOYSA-N 0 1 394.515 3.607 40 0 GHABMN N[C@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000685938868 570398072 /nfs/dbraw/zinc/39/80/72/570398072.db2.gz PTBLQLIJUVBVLS-SJORKVTESA-N 0 1 391.265 3.686 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1Cl ZINC000223344372 570460433 /nfs/dbraw/zinc/46/04/33/570460433.db2.gz CRWNGGSQFXJSRA-UHFFFAOYSA-N 0 1 387.244 3.548 40 0 GHABMN NC(=O)c1cc2[nH]c(-c3ccccc3Br)nc2c(Br)c1 ZINC000226344061 570460441 /nfs/dbraw/zinc/46/04/41/570460441.db2.gz DEYXJGDTAHSFJM-UHFFFAOYSA-N 0 1 395.054 3.854 40 0 GHABMN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1n[nH]c(-c2ccncc2)n1 ZINC000012114854 570610105 /nfs/dbraw/zinc/61/01/05/570610105.db2.gz HSLKPBBPQBKARM-ZDUSSCGKSA-N 0 1 381.867 3.819 40 0 GHABMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000225884074 570630551 /nfs/dbraw/zinc/63/05/51/570630551.db2.gz IYXFNMOBUDVDLZ-UHFFFAOYSA-N 0 1 398.406 3.805 40 0 GHABMN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000044841085 570634760 /nfs/dbraw/zinc/63/47/60/570634760.db2.gz GMTYZWKRZJQDFS-UHFFFAOYSA-N 0 1 395.484 3.680 40 0 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Cc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1Cl ZINC000004895126 570636463 /nfs/dbraw/zinc/63/64/63/570636463.db2.gz OYBZLVGWIBYXIY-UHFFFAOYSA-N 0 1 383.883 3.669 40 0 GHABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000012328866 570643777 /nfs/dbraw/zinc/64/37/77/570643777.db2.gz BFLAWEJFVKXSHN-INIZCTEOSA-N 0 1 382.479 3.777 40 0 GHABMN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 ZINC000006680082 570674374 /nfs/dbraw/zinc/67/43/74/570674374.db2.gz KLWRKHBICHUWHG-UHFFFAOYSA-N 0 1 392.424 3.626 40 0 GHABMN COCCN1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102380 570930528 /nfs/dbraw/zinc/93/05/28/570930528.db2.gz YQZMBEARIVVZER-QHCPKHFHSA-N 0 1 380.488 3.806 40 0 GHABMN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109754 570938052 /nfs/dbraw/zinc/93/80/52/570938052.db2.gz PLRUWXQAKGRKCX-JAXLGGSGSA-N 0 1 391.446 3.822 40 0 GHABMN CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000033606224 856438274 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ZHZJUNCIGUEVME-UHFFFAOYSA-N 0 1 381.476 3.524 40 0 GHABMN CN(CCCNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000219425320 570360070 /nfs/dbraw/zinc/36/00/70/570360070.db2.gz OVUWIMIXZGQBJP-UHFFFAOYSA-N 0 1 383.511 3.680 40 0 GHABMN N[C@H](C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000685938864 570398132 /nfs/dbraw/zinc/39/81/32/570398132.db2.gz DOGITAQWGMFSER-RANZSIQMSA-N 0 1 384.442 3.744 40 0 GHABMN Cc1c(/C=C/C2=Nc3ccccc3[C@H](O)N2CCCO)c2ccccc2n1C ZINC000005042779 570425581 /nfs/dbraw/zinc/42/55/81/570425581.db2.gz NHGBQRAMMNBYIA-OTOIZHKDSA-N 0 1 375.472 3.919 40 0 GHABMN COc1cc(CCN2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000005337675 570434605 /nfs/dbraw/zinc/43/46/05/570434605.db2.gz ACPDEWYYENWVHL-UHFFFAOYSA-N 0 1 384.520 3.694 40 0 GHABMN Cc1ccc(N2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000029589835 570476800 /nfs/dbraw/zinc/47/68/00/570476800.db2.gz LPYULKPFEZXRTH-JOCHJYFZSA-N 0 1 376.500 3.710 40 0 GHABMN COc1ccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c(F)c1 ZINC000012328144 570643715 /nfs/dbraw/zinc/64/37/15/570643715.db2.gz HHDWFNAMXRLFSB-UHFFFAOYSA-N 0 1 394.450 3.772 40 0 GHABMN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000012408170 570654868 /nfs/dbraw/zinc/65/48/68/570654868.db2.gz DWROQQOWBDCFDS-IEBWSBKVSA-N 0 1 387.549 3.877 40 0 GHABMN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000055062828 570681342 /nfs/dbraw/zinc/68/13/42/570681342.db2.gz JRIPFSJGQQAPTQ-FJIJXJHWSA-N 0 1 389.543 3.927 40 0 GHABMN O=C(NC1CCCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019879730 570931287 /nfs/dbraw/zinc/93/12/87/570931287.db2.gz ICVRGXBINHJBQA-UHFFFAOYSA-N 0 1 377.532 3.677 40 0 GHABMN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000006154714 856376467 /nfs/dbraw/zinc/37/64/67/856376467.db2.gz IYPHXVQLZXMSQI-UHFFFAOYSA-N 0 1 384.461 3.610 40 0 GHABMN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063313 856410201 /nfs/dbraw/zinc/41/02/01/856410201.db2.gz OTXGHKLPPKWSAV-UHFFFAOYSA-N 0 1 386.879 3.962 40 0 GHABMN COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCN(C(=O)C(C)C)C3)ccc21 ZINC000019705010 856424677 /nfs/dbraw/zinc/42/46/77/856424677.db2.gz VMKXAFHUJJXQDP-MRXNPFEDSA-N 0 1 393.491 3.551 40 0 GHABMN CC(C)c1ncc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712821 856426835 /nfs/dbraw/zinc/42/68/35/856426835.db2.gz MFTCQEWPGDAJPN-VWPQPMDRSA-N 0 1 396.510 3.766 40 0 GHABMN COc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019555293 210261984 /nfs/dbraw/zinc/26/19/84/210261984.db2.gz KJRNURKZTIJBJN-FQEVSTJZSA-N 0 1 376.460 3.568 40 0 GHABMN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)no1 ZINC000019293833 210239335 /nfs/dbraw/zinc/23/93/35/210239335.db2.gz AOCPTEOGXJPQQM-SFHVURJKSA-N 0 1 394.450 3.518 40 0 GHABMN COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019133443 210227467 /nfs/dbraw/zinc/22/74/67/210227467.db2.gz KDTBQLBSQPOOSK-CQSZACIVSA-N 0 1 387.434 3.759 40 0 GHABMN Cc1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)n3)cc2)c(C)c1 ZINC000001083514 209298703 /nfs/dbraw/zinc/29/87/03/209298703.db2.gz LHMFPDAGRMMGTR-UHFFFAOYSA-N 0 1 379.489 3.802 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306143104 212054537 /nfs/dbraw/zinc/05/45/37/212054537.db2.gz XTIQFCLEPXALJV-PMACEKPBSA-N 0 1 381.476 3.770 40 0 GHABMN Cc1cccc(CN2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306135957 212051259 /nfs/dbraw/zinc/05/12/59/212051259.db2.gz PFEDJRCSXJHMFF-JOCHJYFZSA-N 0 1 389.547 3.732 40 0 GHABMN CN(C)C(=O)N1CC[C@@]2(C1)CN(CC1CC1)Cc1sc(-c3ccccc3)nc12 ZINC000306136615 212050333 /nfs/dbraw/zinc/05/03/33/212050333.db2.gz PYLBBTIBYCDZCK-QFIPXVFZSA-N 0 1 396.560 3.661 40 0 GHABMN COc1ccc(-c2n[nH]c(SCc3cc(=O)c4cccc(F)c4[nH]3)n2)cc1 ZINC000041108690 212043149 /nfs/dbraw/zinc/04/31/49/212043149.db2.gz KREJSDYVUJAFEP-UHFFFAOYSA-N 0 1 382.420 3.753 40 0 GHABMN Nc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)ccn1 ZINC000257219978 212005605 /nfs/dbraw/zinc/00/56/05/212005605.db2.gz DJAVTGQWZXROHT-QGZVFWFLSA-N 0 1 393.466 3.532 40 0 GHABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCCC2)CC1 ZINC000257210125 212002824 /nfs/dbraw/zinc/00/28/24/212002824.db2.gz BTGWKVSPRZEWHW-IYBDPMFKSA-N 0 1 386.540 3.709 40 0 GHABMN O=C(c1ccncc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072378155 211106101 /nfs/dbraw/zinc/10/61/01/211106101.db2.gz CSZWEQNKKHKVGR-MRXNPFEDSA-N 0 1 396.878 3.709 40 0 GHABMN O=C(c1cccnc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072378143 211105950 /nfs/dbraw/zinc/10/59/50/211105950.db2.gz BUUPGTBIIOVSKF-MRXNPFEDSA-N 0 1 396.878 3.709 40 0 GHABMN O=C(CN1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)N1CCCCC1 ZINC000072374165 211104758 /nfs/dbraw/zinc/10/47/58/211104758.db2.gz GPGFFJLRICPREB-UHFFFAOYSA-N 0 1 397.498 3.551 40 0 GHABMN Cc1ccccc1Cc1cccc(C2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000072348777 211096034 /nfs/dbraw/zinc/09/60/34/211096034.db2.gz LYBSBLWJUZGRTF-UHFFFAOYSA-N 0 1 377.532 3.783 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072348753 211096012 /nfs/dbraw/zinc/09/60/12/211096012.db2.gz RNJVUGOMMWTFGW-IBGZPJMESA-N 0 1 381.520 3.805 40 0 GHABMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)[C@H](C)CN1Cc1ccco1 ZINC000072324222 211090370 /nfs/dbraw/zinc/09/03/70/211090370.db2.gz OHWSKPHQBZTGDS-HUUCEWRRSA-N 0 1 382.439 3.544 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690275 210281209 /nfs/dbraw/zinc/28/12/09/210281209.db2.gz FUDSMVOZPRQXML-UHFFFAOYSA-N 0 1 383.511 3.859 40 0 GHABMN Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]3F)[nH]c2c1 ZINC000096112305 560060752 /nfs/dbraw/zinc/06/07/52/560060752.db2.gz JSCTVRJHNLISIJ-APWZRJJASA-N 0 1 375.394 3.889 40 0 biogenic,in-vitro GHABMN CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329018326 570212510 /nfs/dbraw/zinc/21/25/10/570212510.db2.gz NPHGGOYDFXXFCH-UHFFFAOYSA-N 0 1 390.274 3.959 40 0 GHABMN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC(C)C)n1 ZINC000329019362 570213079 /nfs/dbraw/zinc/21/30/79/570213079.db2.gz NWNLJWGIBXXQJI-UHFFFAOYSA-N 0 1 380.414 3.743 40 0 GHABMN COc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[nH]c2c1 ZINC000004252239 570364116 /nfs/dbraw/zinc/36/41/16/570364116.db2.gz PSDGEGOKQAXCQO-UHFFFAOYSA-N 0 1 399.472 3.868 40 0 GHABMN C[C@@H]1CCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698467 570365257 /nfs/dbraw/zinc/36/52/57/570365257.db2.gz SVSXLBRHFDFOOD-XLIONFOSSA-N 0 1 378.582 3.869 40 0 GHABMN COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039759301 570450009 /nfs/dbraw/zinc/45/00/09/570450009.db2.gz ZXEHVMHLGBXCCY-UHFFFAOYSA-N 0 1 386.879 3.977 40 0 GHABMN Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2[S@]1=O ZINC000005811852 570457869 /nfs/dbraw/zinc/45/78/69/570457869.db2.gz NGHGZADNERPURJ-SOKVYYICSA-N 0 1 384.501 3.750 40 0 GHABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC000224551661 570517560 /nfs/dbraw/zinc/51/75/60/570517560.db2.gz JOHRAGBZNNNRST-UHFFFAOYSA-N 0 1 384.495 3.850 40 0 GHABMN CCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000224551597 570517876 /nfs/dbraw/zinc/51/78/76/570517876.db2.gz ADRGNFRLESSTRX-UHFFFAOYSA-N 0 1 384.495 3.795 40 0 GHABMN COc1ccccc1-n1cccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012118143 570612233 /nfs/dbraw/zinc/61/22/33/570612233.db2.gz HMULMWFPIVUHFO-QGZVFWFLSA-N 0 1 394.471 3.598 40 0 GHABMN COc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1Cc1c(C)n[nH]c1C ZINC000012147160 570617162 /nfs/dbraw/zinc/61/71/62/570617162.db2.gz YNTMBCCWTGDFBO-UHFFFAOYSA-N 0 1 393.535 3.860 40 0 GHABMN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000004485033 570627989 /nfs/dbraw/zinc/62/79/89/570627989.db2.gz GXONDLMBAYRPEG-UHFFFAOYSA-N 0 1 375.837 3.734 40 0 GHABMN COc1ccccc1N1CCN(CCc2ccc3c(Cl)ccc(O)c3n2)CC1 ZINC000059474707 570657468 /nfs/dbraw/zinc/65/74/68/570657468.db2.gz ONZWAHNKHXDROA-UHFFFAOYSA-N 0 1 397.906 3.967 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c(C)c1 ZINC000217429020 893571146 /nfs/dbraw/zinc/57/11/46/893571146.db2.gz NFVVVSCUAYAGDH-UHFFFAOYSA-N 0 1 376.865 3.908 40 0 GHABMN COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019565227 210264979 /nfs/dbraw/zinc/26/49/79/210264979.db2.gz AYRHASJNQBFAIH-HXUWFJFHSA-N 0 1 376.460 3.980 40 0 GHABMN COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019555290 210262253 /nfs/dbraw/zinc/26/22/53/210262253.db2.gz KJRNURKZTIJBJN-HXUWFJFHSA-N 0 1 376.460 3.568 40 0 GHABMN CC(C)c1cc(C(=O)N2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)n[nH]1 ZINC000019451809 210251323 /nfs/dbraw/zinc/25/13/23/210251323.db2.gz VZCWQBDWAWFQDB-ZDUSSCGKSA-N 0 1 388.855 3.572 40 0 GHABMN O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000019365931 210243875 /nfs/dbraw/zinc/24/38/75/210243875.db2.gz XQNGBFJNJXVYJR-XZOQPEGZSA-N 0 1 378.516 3.797 40 0 GHABMN O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 ZINC000019339089 210242263 /nfs/dbraw/zinc/24/22/63/210242263.db2.gz NHFMQUVJRHNPIZ-LJQANCHMSA-N 0 1 382.508 3.759 40 0 GHABMN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000019291373 210237066 /nfs/dbraw/zinc/23/70/66/210237066.db2.gz NEWARMKUVZKCRX-RTHVDDQRSA-N 0 1 380.319 3.847 40 0 GHABMN Cc1cc(-c2cnc(N3CCN4CCCC[C@@H]4C3)nc2-c2cccs2)on1 ZINC000019124071 210227619 /nfs/dbraw/zinc/22/76/19/210227619.db2.gz ANKLIAVHAIUGDZ-OAHLLOKOSA-N 0 1 381.505 3.843 40 0 GHABMN Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019136095 210226991 /nfs/dbraw/zinc/22/69/91/210226991.db2.gz HQSNGCVGYDNRSF-UWJYYQICSA-N 0 1 378.520 3.630 40 0 GHABMN Cc1nc(-c2ccccc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000008623054 291133759 /nfs/dbraw/zinc/13/37/59/291133759.db2.gz SFNXTXRSQYCFIC-ZCNNSNEGSA-N 0 1 392.547 3.792 40 0 biogenic,in-vitro GHABMN Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000008623054 291133762 /nfs/dbraw/zinc/13/37/62/291133762.db2.gz SFNXTXRSQYCFIC-ZCNNSNEGSA-N 0 1 392.547 3.792 40 0 biogenic,in-vitro GHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccs4)C[C@@H]32)cc1 ZINC000306131840 212049159 /nfs/dbraw/zinc/04/91/59/212049159.db2.gz KQRFNWHLWDTITL-SFTDATJTSA-N 0 1 393.512 3.640 40 0 GHABMN Cc1noc(C)c1-c1cc(C[C@H]2CCN(Cc3nccn3C(C)C)C2)ncn1 ZINC000257333151 212025177 /nfs/dbraw/zinc/02/51/77/212025177.db2.gz YAJBLLWMPJJCDG-QGZVFWFLSA-N 0 1 380.496 3.590 40 0 GHABMN Cc1nnc([C@]2(C)CCC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)o1 ZINC000257298733 212020060 /nfs/dbraw/zinc/02/00/60/212020060.db2.gz RNBQORJXQCTQMO-OAQYLSRUSA-N 0 1 381.432 3.890 40 0 GHABMN O=C(CN1CCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257273397 212014781 /nfs/dbraw/zinc/01/47/81/212014781.db2.gz NGKADXDHAYMXPT-QGZVFWFLSA-N 0 1 387.911 3.721 40 0 GHABMN CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329007168 209156069 /nfs/dbraw/zinc/15/60/69/209156069.db2.gz LHMPZARLSINHOO-UHFFFAOYSA-N 0 1 376.247 3.570 40 0 GHABMN CC[C@H](C)Nc1nc(C(C)C)cc(N2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000328975102 209154295 /nfs/dbraw/zinc/15/42/95/209154295.db2.gz FJMMVRPTCPMABX-HNNXBMFYSA-N 0 1 384.524 3.812 40 0 GHABMN Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 ZINC000072374927 211106605 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40 0 GHABMN COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019565221 571007595 /nfs/dbraw/zinc/00/75/95/571007595.db2.gz KDBHYXYYMMXAKC-HXUWFJFHSA-N 0 1 376.460 3.980 40 0 GHABMN Cc1c2ccccc2oc1C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019566195 571007964 /nfs/dbraw/zinc/00/79/64/571007964.db2.gz GEJUCXDSRJCMPT-GOSISDBHSA-N 0 1 376.460 3.544 40 0 GHABMN COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000019571318 571010197 /nfs/dbraw/zinc/01/01/97/571010197.db2.gz IBIDAMQRYSOYRM-INIZCTEOSA-N 0 1 392.459 3.710 40 0 GHABMN COc1cc(CCN2CCN(c3ccc(C)c(F)c3)CC2)cc(OC)c1OC ZINC000002572957 861361152 /nfs/dbraw/zinc/36/11/52/861361152.db2.gz BZTQYPMXNNFFKT-UHFFFAOYSA-N 0 1 388.483 3.525 40 0 GHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2Cl)c1 ZINC000107981166 856449346 /nfs/dbraw/zinc/44/93/46/856449346.db2.gz SOJPILWRLYYPSK-UHFFFAOYSA-N 0 1 380.897 3.835 40 0 GHABMN CN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000226259303 212115386 /nfs/dbraw/zinc/11/53/86/212115386.db2.gz CYKJQGXCNVROQH-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023633529 212106270 /nfs/dbraw/zinc/10/62/70/212106270.db2.gz SSYBLIKKSQBNIM-GHTZIAJQSA-N 0 1 386.511 3.901 40 0 GHABMN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)n1 ZINC000329029236 212094075 /nfs/dbraw/zinc/09/40/75/212094075.db2.gz PYHXDNDWDLZNSC-HNNXBMFYSA-N 0 1 397.306 3.961 40 0 GHABMN O=C(NCCc1nc(-c2ccncc2)n[nH]1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012114870 221151644 /nfs/dbraw/zinc/15/16/44/221151644.db2.gz YTTNCMXWEYRCJJ-UHFFFAOYSA-N 0 1 395.894 3.691 40 0 GHABMN O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(C2CCCCC2)C1 ZINC000015675096 221338706 /nfs/dbraw/zinc/33/87/06/221338706.db2.gz BDINYLORAOGYAS-WBVHZDCISA-N 0 1 379.863 3.893 40 0 biogenic,in-vitro GHABMN Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@@H](C)[C@@H]3C)C[C@H]2c2csnn2)cc1 ZINC000072341403 222231182 /nfs/dbraw/zinc/23/11/82/222231182.db2.gz OKXDKRMWHYEUNX-LCLWPZTBSA-N 0 1 398.576 3.677 40 0 GHABMN COc1ccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)cc1 ZINC000072348701 222234844 /nfs/dbraw/zinc/23/48/44/222234844.db2.gz NFWQMRVFRUQKND-HXUWFJFHSA-N 0 1 393.531 3.949 40 0 GHABMN Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072353961 222238494 /nfs/dbraw/zinc/23/84/94/222238494.db2.gz GTIUHXZTNKHJRL-NRFANRHFSA-N 0 1 395.522 3.922 40 0 GHABMN Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCCCN2)C1 ZINC000072374075 222242308 /nfs/dbraw/zinc/24/23/08/222242308.db2.gz MQAZUFCZZHJSOT-OAQYLSRUSA-N 0 1 391.494 3.915 40 0 GHABMN O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072378144 222244623 /nfs/dbraw/zinc/24/46/23/222244623.db2.gz BUUPGTBIIOVSKF-INIZCTEOSA-N 0 1 396.878 3.709 40 0 GHABMN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)o1 ZINC000096053154 222375004 /nfs/dbraw/zinc/37/50/04/222375004.db2.gz ZAMBCTNNYUNRQH-GOSISDBHSA-N 0 1 382.504 3.967 40 0 GHABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)cc1 ZINC000216027950 570294659 /nfs/dbraw/zinc/29/46/59/570294659.db2.gz PLBMTCDDKKXYLH-UHFFFAOYSA-N 0 1 396.472 3.688 40 0 GHABMN CC[NH+](CC)CC[N-]C(=S)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000005715221 570452541 /nfs/dbraw/zinc/45/25/41/570452541.db2.gz GDODIMJSJOGPEV-UHFFFAOYSA-N 0 1 381.851 3.556 40 0 GHABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)cc2oc1=O ZINC000223362820 570461781 /nfs/dbraw/zinc/46/17/81/570461781.db2.gz NXDRDQQAWPMOKG-UHFFFAOYSA-N 0 1 387.244 3.722 40 0 GHABMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2C)cc1OC ZINC000004909287 570647958 /nfs/dbraw/zinc/64/79/58/570647958.db2.gz BOSGMMXKTWQDGJ-LJQANCHMSA-N 0 1 383.835 3.922 40 0 GHABMN Cc1nc([C@@]2(C)CCC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)c2sccn12 ZINC000257221959 570763197 /nfs/dbraw/zinc/76/31/97/570763197.db2.gz DRHIZHMUOZKDDD-NRFANRHFSA-N 0 1 399.516 3.721 40 0 GHABMN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(Cc3nccn3C(C)C)C2)ncn1 ZINC000257333150 570782967 /nfs/dbraw/zinc/78/29/67/570782967.db2.gz YAJBLLWMPJJCDG-KRWDZBQOSA-N 0 1 380.496 3.590 40 0 GHABMN CN1CC2(CCN(Cc3cccc(F)c3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306124860 570936468 /nfs/dbraw/zinc/93/64/68/570936468.db2.gz CAYGCIMLXLBXTL-UHFFFAOYSA-N 0 1 396.510 3.533 40 0 GHABMN Cn1cc(CN2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)cn1 ZINC000306133597 570940784 /nfs/dbraw/zinc/94/07/84/570940784.db2.gz MQJWHQWOYCXRPZ-UHFFFAOYSA-N 0 1 389.503 3.577 40 0 GHABMN CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccnc3ccccc31)N2 ZINC000306145422 570947078 /nfs/dbraw/zinc/94/70/78/570947078.db2.gz DZPNVVOQKSONNP-LJQANCHMSA-N 0 1 383.492 3.665 40 0 GHABMN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335831 570976038 /nfs/dbraw/zinc/97/60/38/570976038.db2.gz BMBZPICBYGZKNM-INIZCTEOSA-N 0 1 385.483 3.678 40 0 GHABMN CNc1ncccc1CN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703764 571031554 /nfs/dbraw/zinc/03/15/54/571031554.db2.gz WNRAHFANEZEJQO-FQEVSTJZSA-N 0 1 395.482 3.944 40 0 GHABMN CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000006418898 856381031 /nfs/dbraw/zinc/38/10/31/856381031.db2.gz UAIPQOPNTOKFNY-SFHVURJKSA-N 0 1 381.520 3.969 40 0 GHABMN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1)c1cccs1 ZINC000019401619 856421599 /nfs/dbraw/zinc/42/15/99/856421599.db2.gz MQAGNCNAZRSNQH-LAUBAEHRSA-N 0 1 392.528 3.921 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c(C)c1 ZINC000408547567 231055708 /nfs/dbraw/zinc/05/57/08/231055708.db2.gz ZTULHBPRUFTBLF-UHFFFAOYSA-N 0 1 378.881 3.650 40 0 GHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000008635308 221048317 /nfs/dbraw/zinc/04/83/17/221048317.db2.gz YUIKXSYLRGROEM-OTWHNJEPSA-N 0 1 388.556 3.782 40 0 biogenic,in-vitro GHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000008635308 221048321 /nfs/dbraw/zinc/04/83/21/221048321.db2.gz YUIKXSYLRGROEM-OTWHNJEPSA-N 0 1 388.556 3.782 40 0 biogenic,in-vitro GHABMN CNc1ncccc1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000012326629 221182912 /nfs/dbraw/zinc/18/29/12/221182912.db2.gz VHNUXGQUTJGPOA-AWEZNQCLSA-N 0 1 381.505 3.727 40 0 GHABMN CNc1ncccc1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000012326629 221182916 /nfs/dbraw/zinc/18/29/16/221182916.db2.gz VHNUXGQUTJGPOA-AWEZNQCLSA-N 0 1 381.505 3.727 40 0 GHABMN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C/C(C)=C/c2ccccc2)C3)C1 ZINC000019014424 221393440 /nfs/dbraw/zinc/39/34/40/221393440.db2.gz PUVBLLONDPUBOJ-DOIQENQNSA-N 0 1 390.531 3.664 40 0 GHABMN CC(C)(C)c1nc2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2[nH]1 ZINC000019083432 221396870 /nfs/dbraw/zinc/39/68/70/221396870.db2.gz QAFRQESUEZGQNF-UHFFFAOYSA-N 0 1 390.443 3.766 40 0 GHABMN COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)cc1 ZINC000072348771 222234880 /nfs/dbraw/zinc/23/48/80/222234880.db2.gz AVACYFUFKZZGER-IBGZPJMESA-N 0 1 379.504 3.559 40 0 GHABMN O=C(CN1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359679 222239584 /nfs/dbraw/zinc/23/95/84/222239584.db2.gz YFMWGPNCQXXOSB-QGZVFWFLSA-N 0 1 384.911 3.599 40 0 GHABMN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053328 222375506 /nfs/dbraw/zinc/37/55/06/222375506.db2.gz FAARRGCDMSPHDC-FQEVSTJZSA-N 0 1 393.531 3.897 40 0 GHABMN CN1CCCN(C(=O)c2cc(-c3ccn(-c4ccccc4)n3)n3ccccc23)CC1 ZINC000096154761 222391726 /nfs/dbraw/zinc/39/17/26/222391726.db2.gz AZBDYFKFNTUEHO-UHFFFAOYSA-N 0 1 399.498 3.570 40 0 GHABMN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113970618 535817841 /nfs/dbraw/zinc/81/78/41/535817841.db2.gz MLSJAZSHRCGWSD-OAQYLSRUSA-N 0 1 381.520 3.851 40 0 GHABMN Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(Cc2cccc(Cl)c2)C1 ZINC000096244519 570224158 /nfs/dbraw/zinc/22/41/58/570224158.db2.gz QDKABLXMNNEUCL-QFIPXVFZSA-N 0 1 398.938 3.934 40 0 GHABMN CCOc1ccc(-c2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000085384347 570320366 /nfs/dbraw/zinc/32/03/66/570320366.db2.gz XZZLJPCJCAKRBI-UHFFFAOYSA-N 0 1 385.420 3.572 40 0 GHABMN CCOc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OC ZINC000085384347 570320369 /nfs/dbraw/zinc/32/03/69/570320369.db2.gz XZZLJPCJCAKRBI-UHFFFAOYSA-N 0 1 385.420 3.572 40 0 GHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000026527675 570426303 /nfs/dbraw/zinc/42/63/03/570426303.db2.gz IHDAAGPGVJQLSU-UHFFFAOYSA-N 0 1 393.770 3.946 40 0 GHABMN CN(C)c1nc2ccccc2cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC000043286455 570627262 /nfs/dbraw/zinc/62/72/62/570627262.db2.gz VMVYGVAAIJBENU-UHFFFAOYSA-N 0 1 379.479 3.924 40 0 GHABMN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4ncc[nH]4)CC3)CO[C@H]21 ZINC000257214550 570762122 /nfs/dbraw/zinc/76/21/22/570762122.db2.gz CMKHIGIBIWHBLN-FXAWDEMLSA-N 0 1 397.519 3.949 40 0 GHABMN CC(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3F)c2)C1 ZINC000257284613 570775415 /nfs/dbraw/zinc/77/54/15/570775415.db2.gz PDMIYXWTYFVKLQ-QGZVFWFLSA-N 0 1 379.439 3.559 40 0 GHABMN Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)s1 ZINC000585103682 570929016 /nfs/dbraw/zinc/92/90/16/570929016.db2.gz FHFOLQGTXVVVGM-VGOFRKELSA-N 0 1 399.560 3.572 40 0 GHABMN Cc1ccsc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 ZINC000306137342 570943118 /nfs/dbraw/zinc/94/31/18/570943118.db2.gz QTQIYUJCZZTEEP-ZWKOTPCHSA-N 0 1 398.557 3.704 40 0 GHABMN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccc(C)c4)C[C@H]32)cs1 ZINC000306140889 570944660 /nfs/dbraw/zinc/94/46/60/570944660.db2.gz VGEVRNGKYZLVRB-NHCUHLMSSA-N 0 1 392.528 3.643 40 0 GHABMN CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019501409 570992952 /nfs/dbraw/zinc/99/29/52/570992952.db2.gz CRORMQISPTWTOL-IBGZPJMESA-N 0 1 386.540 3.727 40 0 GHABMN Cc1cc2nc(CCC(=O)NCCCc3nc4cc(F)ccc4[nH]3)[nH]c2c(C)c1 ZINC000019568397 571009330 /nfs/dbraw/zinc/00/93/30/571009330.db2.gz NRLZUENTQMMKNK-UHFFFAOYSA-N 0 1 393.466 3.877 40 0 GHABMN COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)[nH]n2)cc1 ZINC000019659905 571025405 /nfs/dbraw/zinc/02/54/05/571025405.db2.gz OEBQERVJCGXUES-UHFFFAOYSA-N 0 1 391.406 3.722 40 0 GHABMN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1)c1cccs1 ZINC000019401613 856421643 /nfs/dbraw/zinc/42/16/43/856421643.db2.gz MQAGNCNAZRSNQH-DYESRHJHSA-N 0 1 392.528 3.921 40 0 GHABMN COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033761022 856439588 /nfs/dbraw/zinc/43/95/88/856439588.db2.gz UJDCYEGBZYDWKP-LDADJPATSA-N 0 1 391.383 3.581 40 0 GHABMN COc1cc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc(OC)c1OC ZINC000012115911 221151719 /nfs/dbraw/zinc/15/17/19/221151719.db2.gz PHPKXXDUKZKULF-UHFFFAOYSA-N 0 1 396.369 3.923 40 0 GHABMN COc1ccc(CN(Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)cc1 ZINC000012116803 221152037 /nfs/dbraw/zinc/15/20/37/221152037.db2.gz XFKOBNFRXQNSGS-JOCHJYFZSA-N 0 1 393.487 3.972 40 0 GHABMN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000012115753 221152292 /nfs/dbraw/zinc/15/22/92/221152292.db2.gz FDAGGJSHLGXSJH-SFHVURJKSA-N 0 1 379.439 3.581 40 0 GHABMN O=C(NCc1ccccc1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000012115753 221152295 /nfs/dbraw/zinc/15/22/95/221152295.db2.gz FDAGGJSHLGXSJH-SFHVURJKSA-N 0 1 379.439 3.581 40 0 GHABMN CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000012326626 221182589 /nfs/dbraw/zinc/18/25/89/221182589.db2.gz VHNUXGQUTJGPOA-CQSZACIVSA-N 0 1 381.505 3.727 40 0 GHABMN CNc1ncccc1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000012326626 221182590 /nfs/dbraw/zinc/18/25/90/221182590.db2.gz VHNUXGQUTJGPOA-CQSZACIVSA-N 0 1 381.505 3.727 40 0 GHABMN Clc1cc2c(cc1CN1CC[C@@H](c3nc(-c4ccncc4)no3)C1)OCO2 ZINC000019405877 221412253 /nfs/dbraw/zinc/41/22/53/221412253.db2.gz DTIFUGCUOAGPNJ-CYBMUJFWSA-N 0 1 384.823 3.503 40 0 GHABMN CCN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 ZINC000072229307 136167693 /nfs/dbraw/zinc/16/76/93/136167693.db2.gz CBPPZXYQFBEGDX-UHFFFAOYSA-N 0 1 393.318 3.970 40 0 GHABMN CC(=O)N1CCCN(Cc2cc(-c3ccccc3)cnc2-c2ccncc2)CC1 ZINC000072343214 222231457 /nfs/dbraw/zinc/23/14/57/222231457.db2.gz MNFHUZHDOKETNF-UHFFFAOYSA-N 0 1 386.499 3.865 40 0 GHABMN Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072353812 222238329 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0 GHABMN CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 ZINC000223013355 570437283 /nfs/dbraw/zinc/43/72/83/570437283.db2.gz FDGQWPQUNDQVKA-UHFFFAOYSA-N 0 1 391.489 3.725 40 0 GHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000224236664 570504786 /nfs/dbraw/zinc/50/47/86/570504786.db2.gz ORAFYLQLUTULQI-UHFFFAOYSA-N 0 1 380.491 3.566 40 0 GHABMN COc1cc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000012187417 570621336 /nfs/dbraw/zinc/62/13/36/570621336.db2.gz JTGGPNLDNYQYNO-IBGZPJMESA-N 0 1 399.487 3.922 40 0 GHABMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc21 ZINC000055590371 570697711 /nfs/dbraw/zinc/69/77/11/570697711.db2.gz HNLJNFVUBTUEFN-UHFFFAOYSA-N 0 1 388.489 3.574 40 0 GHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006234984 570739802 /nfs/dbraw/zinc/73/98/02/570739802.db2.gz HRCJWQUHRAWGJE-UHFFFAOYSA-N 0 1 392.786 3.983 40 0 GHABMN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnn2C)C1 ZINC000257220677 570763014 /nfs/dbraw/zinc/76/30/14/570763014.db2.gz 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Cn1ccnc1[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000019291184 570971960 /nfs/dbraw/zinc/97/19/60/570971960.db2.gz HISDHZJSKBUWOC-LEWJYISDSA-N 0 1 392.478 3.602 40 0 GHABMN CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019498862 570991657 /nfs/dbraw/zinc/99/16/57/570991657.db2.gz QRADERUOQQYNGU-IBGZPJMESA-N 0 1 386.540 3.584 40 0 GHABMN CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019498862 570991662 /nfs/dbraw/zinc/99/16/62/570991662.db2.gz QRADERUOQQYNGU-IBGZPJMESA-N 0 1 386.540 3.584 40 0 GHABMN COc1ncc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 ZINC000019564407 571006815 /nfs/dbraw/zinc/00/68/15/571006815.db2.gz BXJCGDGMOXHONY-CYBMUJFWSA-N 0 1 389.406 3.647 40 0 GHABMN Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)[nH]n2)cc1 ZINC000019718252 571041188 /nfs/dbraw/zinc/04/11/88/571041188.db2.gz AONAWNYLEAQQAD-UHFFFAOYSA-N 0 1 382.807 3.622 40 0 GHABMN Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)C3CCCCC3)n2)c1 ZINC000020464488 575367046 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3.839 40 0 GHABMN CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226259240 212114494 /nfs/dbraw/zinc/11/44/94/212114494.db2.gz RUZHQDGNGWDCJN-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CC[C@H](C)Nc1nc(C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329025700 212093529 /nfs/dbraw/zinc/09/35/29/212093529.db2.gz PHWIDYNPEDUAJI-LBPRGKRZSA-N 0 1 375.314 3.743 40 0 GHABMN O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000012089236 221149178 /nfs/dbraw/zinc/14/91/78/221149178.db2.gz FRVOJLFGVAITKY-OALUTQOASA-N 0 1 384.549 3.798 40 0 GHABMN Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)on1 ZINC000012115923 221151636 /nfs/dbraw/zinc/15/16/36/221151636.db2.gz TUCDVIKJLBQIMN-UHFFFAOYSA-N 0 1 394.479 3.615 40 0 GHABMN O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012201722 221167204 /nfs/dbraw/zinc/16/72/04/221167204.db2.gz YQBSTLBFNOHDKS-FQEVSTJZSA-N 0 1 388.870 3.563 40 0 GHABMN Cc1cc2c(cc1CN1CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]31)OCO2 ZINC000013226775 221264283 /nfs/dbraw/zinc/26/42/83/221264283.db2.gz IEAHAZDGYRTBLL-XLIONFOSSA-N 0 1 396.462 3.599 40 0 GHABMN CC(=O)N(C)C1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 ZINC000019016299 221393954 /nfs/dbraw/zinc/39/39/54/221393954.db2.gz IBHGEVNEEDKTGW-UHFFFAOYSA-N 0 1 379.504 3.636 40 0 GHABMN c1csc(-c2nc(N3CCN4CCCC[C@@H]4C3)ncc2-c2ccncc2)c1 ZINC000072396559 136169106 /nfs/dbraw/zinc/16/91/06/136169106.db2.gz ZIAUZBMIAMJAAV-QGZVFWFLSA-N 0 1 377.517 3.942 40 0 GHABMN COc1ccccc1Cc1cccc(C2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000072349982 222236412 /nfs/dbraw/zinc/23/64/12/222236412.db2.gz PTLQHIZPFGFVGU-UHFFFAOYSA-N 0 1 376.504 3.794 40 0 GHABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)ccc21 ZINC000072374509 222241988 /nfs/dbraw/zinc/24/19/88/222241988.db2.gz XQHNZFHEDSHNDO-SFHVURJKSA-N 0 1 396.470 3.693 40 0 GHABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289628 560032246 /nfs/dbraw/zinc/03/22/46/560032246.db2.gz XFQGQVGCSKITER-IRXDYDNUSA-N 0 1 381.451 3.858 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289628 560032248 /nfs/dbraw/zinc/03/22/48/560032248.db2.gz XFQGQVGCSKITER-IRXDYDNUSA-N 0 1 381.451 3.858 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289628 560032250 /nfs/dbraw/zinc/03/22/50/560032250.db2.gz XFQGQVGCSKITER-IRXDYDNUSA-N 0 1 381.451 3.858 40 0 biogenic,in-vitro GHABMN CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 ZINC000096226039 570220934 /nfs/dbraw/zinc/22/09/34/570220934.db2.gz YFFWGXVPGKAIFG-JOCHJYFZSA-N 0 1 378.476 3.565 40 0 GHABMN O=C(c1ccco1)N1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc12 ZINC000096242528 570223268 /nfs/dbraw/zinc/22/32/68/570223268.db2.gz SAIRHHBVTIFTMG-UHFFFAOYSA-N 0 1 387.483 3.864 40 0 GHABMN Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000224295772 570438587 /nfs/dbraw/zinc/43/85/87/570438587.db2.gz HYXBCWHNTXKODA-UHFFFAOYSA-N 0 1 382.489 3.627 40 0 GHABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000028260620 570453637 /nfs/dbraw/zinc/45/36/37/570453637.db2.gz VBESWDSROZDNKM-UHFFFAOYSA-N 0 1 377.462 3.826 40 0 GHABMN Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000224028432 570495496 /nfs/dbraw/zinc/49/54/96/570495496.db2.gz LOJIPKVHRBEZDJ-UHFFFAOYSA-N 0 1 384.495 3.850 40 0 GHABMN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000225007218 570542982 /nfs/dbraw/zinc/54/29/82/570542982.db2.gz BGAHLUIBAYBLGN-UHFFFAOYSA-N 0 1 397.494 3.513 40 0 GHABMN CC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 ZINC000005626078 570665543 /nfs/dbraw/zinc/66/55/43/570665543.db2.gz WIEDAJCLXGQMTO-UHFFFAOYSA-N 0 1 397.500 3.642 40 0 GHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001053410 570711562 /nfs/dbraw/zinc/71/15/62/570711562.db2.gz ZRPZUBTZDPFYSY-OVCLIPMQSA-N 0 1 390.798 3.637 40 0 GHABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](Cc3ncccn3)C2)o1 ZINC000585177732 570714087 /nfs/dbraw/zinc/71/40/87/570714087.db2.gz CCVKHRDWGNOIAW-INIZCTEOSA-N 0 1 377.444 3.890 40 0 GHABMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000033534409 570741307 /nfs/dbraw/zinc/74/13/07/570741307.db2.gz VNMRXZNXEDNUMN-MDFGKDKASA-N 0 1 390.543 3.540 40 0 GHABMN COc1cccc2c1OC1(CCN(Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257222956 570763121 /nfs/dbraw/zinc/76/31/21/570763121.db2.gz DVHFGFIBTBEEDE-PZJWPPBQSA-N 0 1 380.488 3.985 40 0 GHABMN Cc1nc2cc([C@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257280306 570774805 /nfs/dbraw/zinc/77/48/05/570774805.db2.gz OKIQTRPSKWQHTE-OAQYLSRUSA-N 0 1 397.567 3.883 40 0 GHABMN CC(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3F)c2)C1 ZINC000257284612 570775496 /nfs/dbraw/zinc/77/54/96/570775496.db2.gz PDMIYXWTYFVKLQ-KRWDZBQOSA-N 0 1 379.439 3.559 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2cccc(Nc3ncccc3C)n2)CC1 ZINC000257286537 570776087 /nfs/dbraw/zinc/77/60/87/570776087.db2.gz PLYYSXPUULBHAS-UHFFFAOYSA-N 0 1 381.524 3.576 40 0 GHABMN 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C=C1N=C(SC(C)C)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033746678 856439300 /nfs/dbraw/zinc/43/93/00/856439300.db2.gz UHHIMUYNOHBSLS-KRWDZBQOSA-N 0 1 378.494 3.683 40 0 GHABMN O=S(=O)(Nc1ccc(Br)c2cccnc12)c1ccc(F)cc1 ZINC000027930349 859084047 /nfs/dbraw/zinc/08/40/47/859084047.db2.gz BPMDPWIXDPLGGU-UHFFFAOYSA-N 0 1 381.226 3.937 40 0 GHABMN COc1ccc([C@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095533860 860614140 /nfs/dbraw/zinc/61/41/40/860614140.db2.gz YOMPWIZUBHZVPL-HNNXBMFYSA-N 0 1 378.354 3.556 40 0 GHABMN Oc1c(Cl)cc(Nc2cc(-c3ccncc3)nc(NC3CC3)n2)cc1Cl ZINC000329045924 212094997 /nfs/dbraw/zinc/09/49/97/212094997.db2.gz TXHBMWPHURXYJX-UHFFFAOYSA-N 0 1 388.258 3.713 40 0 GHABMN CCOCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)ccc1OC ZINC000012328372 221183041 /nfs/dbraw/zinc/18/30/41/221183041.db2.gz YVOMZFQVCVBEAI-UHFFFAOYSA-N 0 1 385.504 3.724 40 0 GHABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675798 221338684 /nfs/dbraw/zinc/33/86/84/221338684.db2.gz MMQZEDPXNVUJCD-KRWDZBQOSA-N 0 1 379.464 3.830 40 0 biogenic,in-vitro GHABMN Cc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c(C)n1C1CC1 ZINC000072339860 222230164 /nfs/dbraw/zinc/23/01/64/222230164.db2.gz FRGIBFINAFRSMC-UHFFFAOYSA-N 0 1 375.476 3.556 40 0 GHABMN Cc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c(C)n1C1CC1 ZINC000072339860 222230167 /nfs/dbraw/zinc/23/01/67/222230167.db2.gz FRGIBFINAFRSMC-UHFFFAOYSA-N 0 1 375.476 3.556 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072348762 222234952 /nfs/dbraw/zinc/23/49/52/222234952.db2.gz HCXWMSRQPHEAIE-UHFFFAOYSA-N 0 1 383.511 3.859 40 0 GHABMN O=C(CN1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349731 222236769 /nfs/dbraw/zinc/23/67/69/222236769.db2.gz GDNKPXBHCKTNTH-IBGZPJMESA-N 0 1 381.495 3.613 40 0 GHABMN O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000072378323 222245749 /nfs/dbraw/zinc/24/57/49/222245749.db2.gz HSVDIHCALPTXCD-IBGZPJMESA-N 0 1 380.423 3.543 40 0 GHABMN O=C(CCc1cccnc1)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096071081 222376770 /nfs/dbraw/zinc/37/67/70/222376770.db2.gz OZRDNHUEBVJCAO-QFIPXVFZSA-N 0 1 383.923 3.935 40 0 GHABMN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113951805 535817731 /nfs/dbraw/zinc/81/77/31/535817731.db2.gz MPGATPNFHOYLLJ-OAQYLSRUSA-N 0 1 381.520 3.851 40 0 GHABMN CN1CCN(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000111893024 536422690 /nfs/dbraw/zinc/42/26/90/536422690.db2.gz PINZGPJUMPXBMT-UHFFFAOYSA-N 0 1 387.911 3.890 40 0 GHABMN CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000222991759 570435387 /nfs/dbraw/zinc/43/53/87/570435387.db2.gz ZETWHPKJGKXLBX-UHFFFAOYSA-N 0 1 388.272 3.900 40 0 GHABMN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000005858448 570459285 /nfs/dbraw/zinc/45/92/85/570459285.db2.gz YTYDEMAJFJVVMG-AWNIVKPZSA-N 0 1 397.431 3.673 40 0 GHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)cc1 ZINC000000790802 570481613 /nfs/dbraw/zinc/48/16/13/570481613.db2.gz DCQIWTRCNFTOMS-UHFFFAOYSA-N 0 1 387.848 3.788 40 0 GHABMN Cn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000225037596 570544622 /nfs/dbraw/zinc/54/46/22/570544622.db2.gz AAVVTRGQPUDYIO-UHFFFAOYSA-N 0 1 389.285 3.708 40 0 GHABMN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000055012190 570678907 /nfs/dbraw/zinc/67/89/07/570678907.db2.gz SDVQZTHZPOVSJA-INIZCTEOSA-N 0 1 385.533 3.566 40 0 GHABMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000013647140 570766619 /nfs/dbraw/zinc/76/66/19/570766619.db2.gz NEYTVGOYXUNMRP-UHFFFAOYSA-N 0 1 390.244 3.589 40 0 GHABMN COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 ZINC000072340482 570880385 /nfs/dbraw/zinc/88/03/85/570880385.db2.gz SGIRCWQEPNUCDU-OAQYLSRUSA-N 0 1 395.528 3.556 40 0 GHABMN Cc1cccc(CN2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)n1 ZINC000306123563 570935869 /nfs/dbraw/zinc/93/58/69/570935869.db2.gz AQHTVFQBFRWRTD-UHFFFAOYSA-N 0 1 399.560 3.687 40 0 GHABMN Cc1ccsc1CN1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306137341 570943316 /nfs/dbraw/zinc/94/33/16/570943316.db2.gz QTQIYUJCZZTEEP-ROUUACIJSA-N 0 1 398.557 3.704 40 0 GHABMN c1c([C@@H]2CN(C3CCC3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306141245 570945328 /nfs/dbraw/zinc/94/53/28/570945328.db2.gz VPODVXDWODDIOT-NRFANRHFSA-N 0 1 379.552 3.556 40 0 GHABMN O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306144470 570946274 /nfs/dbraw/zinc/94/62/74/570946274.db2.gz ZGCTZEIPAMHXRI-UXHICEINSA-N 0 1 381.476 3.770 40 0 GHABMN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335825 570976083 /nfs/dbraw/zinc/97/60/83/570976083.db2.gz BMBZPICBYGZKNM-MRXNPFEDSA-N 0 1 385.483 3.678 40 0 GHABMN CCc1oc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)cc1COC ZINC000019521499 570994585 /nfs/dbraw/zinc/99/45/85/570994585.db2.gz WEQUDWSIOQEAPW-NRFANRHFSA-N 0 1 395.459 3.508 40 0 GHABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019521990 570995001 /nfs/dbraw/zinc/99/50/01/570995001.db2.gz ZOZGBDDKRXVPNY-JTQLQIEISA-N 0 1 393.369 3.547 40 0 GHABMN CCOc1ccc([C@H]2CCCN2C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)cc1 ZINC000019715086 571036783 /nfs/dbraw/zinc/03/67/83/571036783.db2.gz KJHULUOYZWJXQU-LJQANCHMSA-N 0 1 377.444 3.608 40 0 GHABMN Cc1nc(C)c(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)s1 ZINC000019715990 571037806 /nfs/dbraw/zinc/03/78/06/571037806.db2.gz QTYHLIAZGPUNHU-UHFFFAOYSA-N 0 1 390.534 3.513 40 0 GHABMN C[C@]1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC(c2ccccc2Cl)=NO1 ZINC000019717641 571040761 /nfs/dbraw/zinc/04/07/61/571040761.db2.gz PJZMGJFBSJFMON-LJQANCHMSA-N 0 1 381.823 3.647 40 0 GHABMN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3OC)n[nH]2)cc1 ZINC000010475522 856418687 /nfs/dbraw/zinc/41/86/87/856418687.db2.gz FRZAGYJYSGSYFC-UHFFFAOYSA-N 0 1 384.461 3.610 40 0 GHABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1Br ZINC000033509576 856438426 /nfs/dbraw/zinc/43/84/26/856438426.db2.gz REWFAXFPNYJOOQ-XYOKQWHBSA-N 0 1 375.178 3.544 40 0 GHABMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(-n2cccc2)c1 ZINC000226245788 212115264 /nfs/dbraw/zinc/11/52/64/212115264.db2.gz KLCNCCZUZDNGIQ-UHFFFAOYSA-N 0 1 375.472 3.586 40 0 GHABMN CCOC(=O)N[C@@H](c1c(C)[nH]n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000004280919 220700804 /nfs/dbraw/zinc/70/08/04/220700804.db2.gz IAOAPDJOHWRFIF-NEPJUHHUSA-N 0 1 392.670 3.510 40 0 GHABMN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000012115754 221151679 /nfs/dbraw/zinc/15/16/79/221151679.db2.gz FDAGGJSHLGXSJH-GOSISDBHSA-N 0 1 379.439 3.581 40 0 GHABMN O=C(NCc1ccccc1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000012115754 221151681 /nfs/dbraw/zinc/15/16/81/221151681.db2.gz FDAGGJSHLGXSJH-GOSISDBHSA-N 0 1 379.439 3.581 40 0 GHABMN C[C@@H](O)CN(Cc1cccn1-c1cccc(F)c1)Cc1ccc2c(c1)OCO2 ZINC000012147972 221160334 /nfs/dbraw/zinc/16/03/34/221160334.db2.gz QLZIDIOTLXILOP-MRXNPFEDSA-N 0 1 382.435 3.728 40 0 GHABMN COc1ccccc1C1(O)CCN(Cc2ccc3cccc(OC)c3n2)CC1 ZINC000012293057 221175488 /nfs/dbraw/zinc/17/54/88/221175488.db2.gz YRCDPFBATMIDHX-UHFFFAOYSA-N 0 1 378.472 3.736 40 0 GHABMN CN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229290 136167716 /nfs/dbraw/zinc/16/77/16/136167716.db2.gz PDCWQGVSJDRCJG-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113953831 136192137 /nfs/dbraw/zinc/19/21/37/136192137.db2.gz FJNYMMCOHZOVMV-LJQANCHMSA-N 0 1 387.911 3.888 40 0 GHABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288633 560034278 /nfs/dbraw/zinc/03/42/78/560034278.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N 0 1 399.441 3.997 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288633 560034280 /nfs/dbraw/zinc/03/42/80/560034280.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N 0 1 399.441 3.997 40 0 biogenic,in-vitro GHABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288633 560034281 /nfs/dbraw/zinc/03/42/81/560034281.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N 0 1 399.441 3.997 40 0 biogenic,in-vitro GHABMN CCCN1CCCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 ZINC000019766530 570217727 /nfs/dbraw/zinc/21/77/27/570217727.db2.gz QJYLNIPXFVNFBZ-FQEVSTJZSA-N 0 1 382.508 3.661 40 0 GHABMN Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(Cc2ccc(Cl)cc2)C1 ZINC000096244521 570223993 /nfs/dbraw/zinc/22/39/93/570223993.db2.gz NKRCMKABPPZXRA-QFIPXVFZSA-N 0 1 398.938 3.934 40 0 GHABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3C)n2)c1 ZINC000216036122 570294967 /nfs/dbraw/zinc/29/49/67/570294967.db2.gz OIZAPKBVWGCSHY-UHFFFAOYSA-N 0 1 398.488 3.837 40 0 GHABMN N[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000685938862 570397711 /nfs/dbraw/zinc/39/77/11/570397711.db2.gz DOGITAQWGMFSER-DDBAPUKQSA-N 0 1 384.442 3.744 40 0 GHABMN Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2[S@@]1=O ZINC000005811850 570457955 /nfs/dbraw/zinc/45/79/55/570457955.db2.gz NGHGZADNERPURJ-CBZJRKILSA-N 0 1 384.501 3.750 40 0 GHABMN CC(C)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000223343271 570460491 /nfs/dbraw/zinc/46/04/91/570460491.db2.gz WUAYMKVGBKVKLV-UHFFFAOYSA-N 0 1 380.853 3.709 40 0 GHABMN Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000224095179 570498381 /nfs/dbraw/zinc/49/83/81/570498381.db2.gz WJRYGXYHFKQTTR-UHFFFAOYSA-N 0 1 384.495 3.850 40 0 GHABMN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000257286792 570776130 /nfs/dbraw/zinc/77/61/30/570776130.db2.gz PNBHHXCCTJBIFG-IBGZPJMESA-N 0 1 398.526 3.633 40 0 GHABMN COc1ccc(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104186 570930199 /nfs/dbraw/zinc/93/01/99/570930199.db2.gz KKJLFSUVAXPZEG-DVECYGJZSA-N 0 1 394.515 3.507 40 0 GHABMN COc1ccc(-c2cccc3nc([C@@H]4CN(C5CCC5)CCN4C)cn32)cc1 ZINC000306130490 570939390 /nfs/dbraw/zinc/93/93/90/570939390.db2.gz JHZGKANWSVPPCW-QFIPXVFZSA-N 0 1 376.504 3.851 40 0 GHABMN CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CCCCC3)CC4)c2C1 ZINC000585110343 570939745 /nfs/dbraw/zinc/93/97/45/570939745.db2.gz HNQPMISUZAQVCY-UHFFFAOYSA-N 0 1 378.520 3.530 40 0 GHABMN COc1cccc(C[NH+]2CCC3(C[C@H](CN4CCC(F)(F)CC4)O3)CC2)c1 ZINC000306138537 570943640 /nfs/dbraw/zinc/94/36/40/570943640.db2.gz SACVEJNWNPIMON-LJQANCHMSA-N 0 1 380.479 3.550 40 0 GHABMN Cc1cccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236382 570966330 /nfs/dbraw/zinc/96/63/30/570966330.db2.gz TYRJBWGOVPNEBM-HTAPYJJXSA-N 0 1 385.458 3.697 40 0 GHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1)c1cccs1 ZINC000019400759 570982932 /nfs/dbraw/zinc/98/29/32/570982932.db2.gz OGCHUPSANHBIES-NQIIRXRSSA-N 0 1 392.528 3.921 40 0 GHABMN CC(C)c1[nH]c2ncccc2c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019451526 570985778 /nfs/dbraw/zinc/98/57/78/570985778.db2.gz VKCHLDYCFSCYIG-UHFFFAOYSA-N 0 1 392.503 3.733 40 0 GHABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000019568958 571009310 /nfs/dbraw/zinc/00/93/10/571009310.db2.gz LXEPWOWPXYSRGN-ZDUSSCGKSA-N 0 1 379.386 3.663 40 0 GHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Cc2cccc3cccnc32)cc1 ZINC000019662678 571026561 /nfs/dbraw/zinc/02/65/61/571026561.db2.gz RHVKVVAMOZCJKK-DEOSSOPVSA-N 0 1 398.466 3.683 40 0 GHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000007605365 856395115 /nfs/dbraw/zinc/39/51/15/856395115.db2.gz WBQMTNNPXSCINT-UHFFFAOYSA-N 0 1 395.488 3.778 40 0 GHABMN CN(C)C(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257293414 858624029 /nfs/dbraw/zinc/62/40/29/858624029.db2.gz QPJQXETVVRKYLC-HSZRJFAPSA-N 0 1 380.488 3.742 40 0 GHABMN Cc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CCCCC2)cc1 ZINC000012114875 221151830 /nfs/dbraw/zinc/15/18/30/221151830.db2.gz DIDGRYREQOVFHB-UHFFFAOYSA-N 0 1 389.503 3.736 40 0 GHABMN Cc1cccc2cc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)N(C)C)c(C)nc12 ZINC000012203769 221167691 /nfs/dbraw/zinc/16/76/91/221167691.db2.gz XDHLYGAUNGUPCT-LJQANCHMSA-N 0 1 391.471 3.613 40 0 GHABMN COc1ccc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cc1O ZINC000019120760 221398161 /nfs/dbraw/zinc/39/81/61/221398161.db2.gz QNEPJOGDVSIGHN-AWEZNQCLSA-N 0 1 386.477 3.595 40 0 GHABMN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000072341411 222232165 /nfs/dbraw/zinc/23/21/65/222232165.db2.gz HLSHJRUNUIEOPH-HKUYNNGSSA-N 0 1 387.549 3.877 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072348763 222234563 /nfs/dbraw/zinc/23/45/63/222234563.db2.gz QEVRARZCQYGYGK-UHFFFAOYSA-N 0 1 383.511 3.859 40 0 GHABMN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072349725 222236786 /nfs/dbraw/zinc/23/67/86/222236786.db2.gz VFZRLIXKMOTRQX-GOSISDBHSA-N 0 1 379.504 3.559 40 0 GHABMN COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 ZINC000072362585 222240894 /nfs/dbraw/zinc/24/08/94/222240894.db2.gz FTXIPNJNHLMJBW-KRWDZBQOSA-N 0 1 393.491 3.699 40 0 GHABMN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CN2CCCC2)n1 ZINC000072377101 222245367 /nfs/dbraw/zinc/24/53/67/222245367.db2.gz HEUDZAVUMAAHJG-SFHVURJKSA-N 0 1 399.926 3.529 40 0 GHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000072398561 222252995 /nfs/dbraw/zinc/25/29/95/222252995.db2.gz UFDXKTKGIQUDIZ-UWJYYQICSA-N 0 1 385.458 3.839 40 0 GHABMN Cn1cc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cn1 ZINC000096038197 222374240 /nfs/dbraw/zinc/37/42/40/222374240.db2.gz UZYHXZUSGIQIRU-UHFFFAOYSA-N 0 1 390.466 3.649 40 0 GHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408916926 528194217 /nfs/dbraw/zinc/19/42/17/528194217.db2.gz IXBFOJXMOQBWHV-CXUHLZMHSA-N 0 1 386.835 3.806 40 0 GHABMN CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000408545241 528550708 /nfs/dbraw/zinc/55/07/08/528550708.db2.gz JODFLDHLEHCFMZ-UHFFFAOYSA-N 0 1 380.897 3.979 40 0 GHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408587900 528747073 /nfs/dbraw/zinc/74/70/73/528747073.db2.gz CPIAXTUSCWFVDB-UHFFFAOYSA-N 0 1 390.505 3.580 40 0 GHABMN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2ccccc2)CC1 ZINC000006661544 560206231 /nfs/dbraw/zinc/20/62/31/560206231.db2.gz QKRGHVDSVANHAD-UHFFFAOYSA-N 0 1 380.488 3.637 40 0 in-vitro GHABMN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000005063878 570427834 /nfs/dbraw/zinc/42/78/34/570427834.db2.gz GBOXTRXXNRKFJY-UHFFFAOYSA-N 0 1 383.463 3.995 40 0 GHABMN C[C@H]1CCCCN1[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000036748683 570563141 /nfs/dbraw/zinc/56/31/41/570563141.db2.gz LDIYXNVMTYBEDU-QYWGDWMGSA-N 0 1 393.487 3.960 40 0 GHABMN COc1cc(CN(CCCn2ccnc2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000036740281 570568930 /nfs/dbraw/zinc/56/89/30/570568930.db2.gz YUQQMWPXPHTHPG-UHFFFAOYSA-N 0 1 383.448 3.614 40 0 GHABMN O=C(Cc1csc(-c2ccccc2)n1)NC1CCN(Cc2ccccn2)CC1 ZINC000036748781 570570008 /nfs/dbraw/zinc/57/00/08/570570008.db2.gz NKILDZSVUIKERU-UHFFFAOYSA-N 0 1 392.528 3.528 40 0 GHABMN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834517 570585974 /nfs/dbraw/zinc/58/59/74/570585974.db2.gz QKQZLTYSKGCORW-MRXNPFEDSA-N 0 1 386.879 3.977 40 0 GHABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225702839 570606062 /nfs/dbraw/zinc/60/60/62/570606062.db2.gz MADOYPPWTWGXSB-UHFFFAOYSA-N 0 1 392.502 3.843 40 0 GHABMN COc1cc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000012187102 570621377 /nfs/dbraw/zinc/62/13/77/570621377.db2.gz XGDPDHWOBTYOJX-SFHVURJKSA-N 0 1 375.440 3.730 40 0 GHABMN COc1ncc(CN2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 ZINC000257232521 570765601 /nfs/dbraw/zinc/76/56/01/570765601.db2.gz GLFSMMPXPINWHQ-SFHVURJKSA-N 0 1 379.464 3.532 40 0 GHABMN O=C(CN1CCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257305872 570779018 /nfs/dbraw/zinc/77/90/18/570779018.db2.gz SRXBDFRJFRUKPW-GOSISDBHSA-N 0 1 385.483 3.596 40 0 GHABMN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccs4)C[C@H]32)cc1 ZINC000306131838 570939926 /nfs/dbraw/zinc/93/99/26/570939926.db2.gz KQRFNWHLWDTITL-NHCUHLMSSA-N 0 1 393.512 3.640 40 0 GHABMN O[C@@H](c1nccs1)c1cccc(F)c1N1CCN(CCc2ccccc2)CC1 ZINC000019371323 570981088 /nfs/dbraw/zinc/98/10/88/570981088.db2.gz XFQDQHMHBKJEAD-OAQYLSRUSA-N 0 1 397.519 3.729 40 0 GHABMN CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450572 570985080 /nfs/dbraw/zinc/98/50/80/570985080.db2.gz MICKLBNNBLSUCG-SFHVURJKSA-N 0 1 390.487 3.609 40 0 GHABMN CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450572 570985082 /nfs/dbraw/zinc/98/50/82/570985082.db2.gz MICKLBNNBLSUCG-SFHVURJKSA-N 0 1 390.487 3.609 40 0 GHABMN COc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1OC ZINC000019567695 571008652 /nfs/dbraw/zinc/00/86/52/571008652.db2.gz RQQBUPBHOBEBAZ-UHFFFAOYSA-N 0 1 380.448 3.528 40 0 GHABMN COCCn1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21 ZINC000019594205 571020404 /nfs/dbraw/zinc/02/04/04/571020404.db2.gz JEYWPONXMVUXSL-OAQYLSRUSA-N 0 1 379.504 3.864 40 0 GHABMN O=c1nc(CSc2nc(-c3ccncc3)n[nH]2)[nH]c2sc3c(c21)CCCC3 ZINC000408582995 231066278 /nfs/dbraw/zinc/06/62/78/231066278.db2.gz QMXSEKJYTBLBFA-UHFFFAOYSA-N 0 1 396.501 3.748 40 0 GHABMN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000023633527 212106744 /nfs/dbraw/zinc/10/67/44/212106744.db2.gz SSYBLIKKSQBNIM-WIYYLYMNSA-N 0 1 386.511 3.901 40 0 GHABMN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000328966266 212091077 /nfs/dbraw/zinc/09/10/77/212091077.db2.gz CKQCTXZRTKKTCW-JXFKEZNVSA-N 0 1 398.551 3.645 40 0 GHABMN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000328966267 212090845 /nfs/dbraw/zinc/09/08/45/212090845.db2.gz CKQCTXZRTKKTCW-OXJNMPFZSA-N 0 1 398.551 3.645 40 0 GHABMN COCCC(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000012127929 221155312 /nfs/dbraw/zinc/15/53/12/221155312.db2.gz FXMYNZBUSWLZOV-UHFFFAOYSA-N 0 1 388.487 3.570 40 0 GHABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1cccc2ccccc21 ZINC000012144596 221158487 /nfs/dbraw/zinc/15/84/87/221158487.db2.gz AJGSULCSQDGKGK-UHFFFAOYSA-N 0 1 385.471 3.860 40 0 GHABMN COc1ccccc1/C=C/CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012330107 221182350 /nfs/dbraw/zinc/18/23/50/221182350.db2.gz KJILKNBKHPFZSZ-RRGWEWPQSA-N 0 1 399.445 3.963 40 0 GHABMN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000012183327 221162803 /nfs/dbraw/zinc/16/28/03/221162803.db2.gz HLSHJRUNUIEOPH-IEBWSBKVSA-N 0 1 387.549 3.877 40 0 GHABMN CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000055652113 222023678 /nfs/dbraw/zinc/02/36/78/222023678.db2.gz JQGGVYDHBOOBMO-UHFFFAOYSA-N 0 1 386.267 3.657 40 0 GHABMN C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)[C@@H](C)CN1Cc1ccco1 ZINC000072324258 222227714 /nfs/dbraw/zinc/22/77/14/222227714.db2.gz OHWSKPHQBZTGDS-GJZGRUSLSA-N 0 1 382.439 3.544 40 0 GHABMN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000072341410 222232220 /nfs/dbraw/zinc/23/22/20/222232220.db2.gz HLSHJRUNUIEOPH-MJGOQNOKSA-N 0 1 387.549 3.877 40 0 GHABMN CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072348759 222235419 /nfs/dbraw/zinc/23/54/19/222235419.db2.gz USKBCDWGSDGMTH-UHFFFAOYSA-N 0 1 383.511 3.859 40 0 GHABMN O=C(CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCCC1 ZINC000072359367 222239672 /nfs/dbraw/zinc/23/96/72/222239672.db2.gz LTANTOJZKUASCW-GOSISDBHSA-N 0 1 398.938 3.989 40 0 GHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000514290024 560030809 /nfs/dbraw/zinc/03/08/09/560030809.db2.gz RKDAXTYJKJMNGS-ROUUACIJSA-N 0 1 393.487 3.727 40 0 biogenic,in-vitro GHABMN Oc1c(Cl)cc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)cc1Cl ZINC000329053983 570215712 /nfs/dbraw/zinc/21/57/12/570215712.db2.gz VITORBFJSCEQKJ-UHFFFAOYSA-N 0 1 388.258 3.713 40 0 GHABMN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020107976 570239927 /nfs/dbraw/zinc/23/99/27/570239927.db2.gz DGGBIHWNLMDTMM-UHFFFAOYSA-N 0 1 399.497 3.857 40 0 GHABMN CCOC(=O)N[C@H](c1c(C)[nH]n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000100015417 570264840 /nfs/dbraw/zinc/26/48/40/570264840.db2.gz IAOAPDJOHWRFIF-NWDGAFQWSA-N 0 1 392.670 3.510 40 0 GHABMN CCOC(=O)N[C@H](c1c(C)[nH]n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000004280920 570365325 /nfs/dbraw/zinc/36/53/25/570365325.db2.gz IAOAPDJOHWRFIF-VXGBXAGGSA-N 0 1 392.670 3.510 40 0 GHABMN COc1ccc(Cl)cc1NC(=S)N1CCN(C2CCSCC2)CC1 ZINC000225216733 570557079 /nfs/dbraw/zinc/55/70/79/570557079.db2.gz SLLPGVIQZMJHQO-UHFFFAOYSA-N 0 1 385.986 3.559 40 0 GHABMN FC(F)(F)c1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 ZINC000225217392 570557087 /nfs/dbraw/zinc/55/70/87/570557087.db2.gz QWHLSFQOIYVUOR-UHFFFAOYSA-N 0 1 389.512 3.915 40 0 GHABMN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834522 570585929 /nfs/dbraw/zinc/58/59/29/570585929.db2.gz OFEAXHRVZLDPFV-INIZCTEOSA-N 0 1 386.879 3.977 40 0 GHABMN CCc1ncc(CN2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C(C)=O)cn1 ZINC000257230720 570764947 /nfs/dbraw/zinc/76/49/47/570764947.db2.gz GDQCJHBEZBTGSV-FDFHNCONSA-N 0 1 378.520 3.756 40 0 GHABMN COc1cccc(CN2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306123514 570935623 /nfs/dbraw/zinc/93/56/23/570935623.db2.gz APDWXVPDKRSAJI-GOTSBHOMSA-N 0 1 387.483 3.578 40 0 GHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 ZINC000306123516 570935743 /nfs/dbraw/zinc/93/57/43/570935743.db2.gz APDWXVPDKRSAJI-XZOQPEGZSA-N 0 1 387.483 3.578 40 0 GHABMN CN1CCN(Cc2ccccc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125547 570936820 /nfs/dbraw/zinc/93/68/20/570936820.db2.gz CTSRRCHJYYKUPC-NRFANRHFSA-N 0 1 389.528 3.947 40 0 GHABMN O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306135885 570942037 /nfs/dbraw/zinc/94/20/37/570942037.db2.gz PDUYEIZEDZKVJX-FGZHOGPDSA-N 0 1 393.437 3.848 40 0 GHABMN O=C(NCc1noc(-c2ccc(Cl)cc2)n1)[C@@H](c1ccccc1)N1CCCC1 ZINC000019369179 570980650 /nfs/dbraw/zinc/98/06/50/570980650.db2.gz DIQZLJKOSOBJHG-LJQANCHMSA-N 0 1 396.878 3.843 40 0 GHABMN O=c1cc(C[C@H]([NH2+]Cc2ccccc2)c2ccccc2)nc(-c2ccccn2)[n-]1 ZINC000019372690 570981067 /nfs/dbraw/zinc/98/10/67/570981067.db2.gz MFVKFGCGCATWQV-QFIPXVFZSA-N 0 1 382.467 3.906 40 0 GHABMN COc1ccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 ZINC000019551769 571001500 /nfs/dbraw/zinc/00/15/00/571001500.db2.gz QCLHTFVPTCGQQD-ZDUSSCGKSA-N 0 1 391.397 3.589 40 0 GHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000007605024 856395160 /nfs/dbraw/zinc/39/51/60/856395160.db2.gz FKPOEZWLXALNRS-UHFFFAOYSA-N 0 1 395.488 3.778 40 0 GHABMN Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@H](C)[C@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211974 856421477 /nfs/dbraw/zinc/42/14/77/856421477.db2.gz OKXDKRMWHYEUNX-KVPLUYHFSA-N 0 1 398.576 3.677 40 0 GHABMN CCc1ncc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cn1 ZINC000019713868 856428319 /nfs/dbraw/zinc/42/83/19/856428319.db2.gz BQMGBPURWWVIPI-RTWAWAEBSA-N 0 1 396.510 3.724 40 0 GHABMN CC(C)c1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 ZINC000107777242 856449310 /nfs/dbraw/zinc/44/93/10/856449310.db2.gz DJSRAEHVWMKGFV-UHFFFAOYSA-N 0 1 396.472 3.653 40 0 GHABMN O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000409380316 231198247 /nfs/dbraw/zinc/19/82/47/231198247.db2.gz CEDACOHTUJHBNO-UHFFFAOYSA-N 0 1 378.881 3.813 40 0 GHABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000004909840 220789784 /nfs/dbraw/zinc/78/97/84/220789784.db2.gz KLUADFOIKPUDCK-NRFANRHFSA-N 0 1 393.443 3.755 40 0 GHABMN COc1ncc(CN2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012085325 221148770 /nfs/dbraw/zinc/14/87/70/221148770.db2.gz DRDUKHPRXXCAAB-LESCRADOSA-N 0 1 393.409 3.936 40 0 GHABMN O=C(CNCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015936010 221352421 /nfs/dbraw/zinc/35/24/21/221352421.db2.gz GZAWMPYHXAUIHH-UHFFFAOYSA-N 0 1 385.895 3.694 40 0 GHABMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113945804 136192187 /nfs/dbraw/zinc/19/21/87/136192187.db2.gz GVYXSQPOGLRFNN-GOSISDBHSA-N 0 1 389.499 3.998 40 0 GHABMN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000031666965 221711352 /nfs/dbraw/zinc/71/13/52/221711352.db2.gz XCDBQPRZWHNLCS-HSZRJFAPSA-N 0 1 376.500 3.710 40 0 GHABMN CC(=O)N1CCC(N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 ZINC000072384372 222247014 /nfs/dbraw/zinc/24/70/14/222247014.db2.gz XROROPFXYUFFSI-FQEVSTJZSA-N 0 1 384.455 3.556 40 0 GHABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289335 560032993 /nfs/dbraw/zinc/03/29/93/560032993.db2.gz QNIHRFCGWJMIEC-ROUUACIJSA-N 0 1 393.487 3.727 40 0 biogenic,in-vitro GHABMN COc1ccc2nc(C[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289335 560032994 /nfs/dbraw/zinc/03/29/94/560032994.db2.gz QNIHRFCGWJMIEC-ROUUACIJSA-N 0 1 393.487 3.727 40 0 biogenic,in-vitro GHABMN COc1ccc2nc(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289335 560032995 /nfs/dbraw/zinc/03/29/95/560032995.db2.gz QNIHRFCGWJMIEC-ROUUACIJSA-N 0 1 393.487 3.727 40 0 biogenic,in-vitro GHABMN C[C@H]1CCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698476 570365056 /nfs/dbraw/zinc/36/50/56/570365056.db2.gz SVSXLBRHFDFOOD-PXNSSMCTSA-N 0 1 378.582 3.869 40 0 GHABMN O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000224550793 570517854 /nfs/dbraw/zinc/51/78/54/570517854.db2.gz PTPWRNQBCKMCED-UHFFFAOYSA-N 0 1 390.886 3.886 40 0 GHABMN CC1(C)[C@H](OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253480220 570741877 /nfs/dbraw/zinc/74/18/77/570741877.db2.gz VNMRXZNXEDNUMN-RBPBXQJFSA-N 0 1 390.543 3.540 40 0 GHABMN CC(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3C)c2)C1 ZINC000257214709 570762171 /nfs/dbraw/zinc/76/21/71/570762171.db2.gz CNDYNWALTHQNJY-LJQANCHMSA-N 0 1 375.476 3.728 40 0 GHABMN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4ccn[nH]4)CC3)C[C@@H]21 ZINC000257220036 570762801 /nfs/dbraw/zinc/76/28/01/570762801.db2.gz DJGCIXXNMMMVGD-QFBILLFUSA-N 0 1 381.476 3.581 40 0 GHABMN COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000014291511 570882022 /nfs/dbraw/zinc/88/20/22/570882022.db2.gz VFWMXFDFTOJGQR-UHFFFAOYSA-N 0 1 376.261 3.953 40 0 GHABMN Cc1nc(C)c(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 ZINC000585103667 570929229 /nfs/dbraw/zinc/92/92/29/570929229.db2.gz FHFOLQGTXVVVGM-HTAPYJJXSA-N 0 1 399.560 3.572 40 0 GHABMN O=C(NCc1cccnc1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 ZINC000019293804 570973218 /nfs/dbraw/zinc/97/32/18/570973218.db2.gz LWUVIAXTNJDUEN-UHFFFAOYSA-N 0 1 394.450 3.518 40 0 GHABMN O=C(NCc1cccc(F)c1)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000019401685 570982893 /nfs/dbraw/zinc/98/28/93/570982893.db2.gz RMRSIAVSGZIJCA-KRWDZBQOSA-N 0 1 394.450 3.518 40 0 GHABMN O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000019703605 571031350 /nfs/dbraw/zinc/03/13/50/571031350.db2.gz JAAYTQQMDUTVGT-HXUWFJFHSA-N 0 1 380.423 3.543 40 0 GHABMN Cc1ccccc1[C@@H]1CN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1c1csnn1 ZINC000019237417 856421694 /nfs/dbraw/zinc/42/16/94/856421694.db2.gz WDZDTILSWMYKDN-YAJHFMINSA-N 0 1 398.576 3.534 40 0 GHABMN CCOc1ccc([C@@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095534289 860614418 /nfs/dbraw/zinc/61/44/18/860614418.db2.gz KDXDUYQJODEXCF-MRXNPFEDSA-N 0 1 392.381 3.946 40 0 GHABMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035052919 212111585 /nfs/dbraw/zinc/11/15/85/212111585.db2.gz PCYLJSIICAVAJD-TUUKDFBESA-N 0 1 390.543 3.540 40 0 GHABMN CC[C@@H](C)Nc1nc(C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328979160 212091167 /nfs/dbraw/zinc/09/11/67/212091167.db2.gz GDLHQHMEBRVNDF-GFCCVEGCSA-N 0 1 380.414 3.879 40 0 GHABMN CCNc1nc(C(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328963460 212090379 /nfs/dbraw/zinc/09/03/79/212090379.db2.gz BOHGLAVEXYPRAN-UHFFFAOYSA-N 0 1 375.314 3.779 40 0 GHABMN O=C(c1cc(-c2cccs2)[nH]n1)N1C[C@H]2[C@H](CC[C@]2(O)c2ccc(F)cc2)C1 ZINC000012087699 221149241 /nfs/dbraw/zinc/14/92/41/221149241.db2.gz MUELAFJWGGHOMR-QTPGKHNVSA-N 0 1 397.475 3.647 40 0 GHABMN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)CN2CCCCCC2)C1 ZINC000012221094 221168969 /nfs/dbraw/zinc/16/89/69/221168969.db2.gz UXJLDXJRIUVTPS-IBGZPJMESA-N 0 1 393.535 3.544 40 0 GHABMN CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 ZINC000072229310 136167699 /nfs/dbraw/zinc/16/76/99/136167699.db2.gz WZCMBZQHJYCGKL-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000113970400 136192210 /nfs/dbraw/zinc/19/22/10/136192210.db2.gz BOFUGXLZKWGVGZ-QFIPXVFZSA-N 0 1 381.520 3.797 40 0 GHABMN COc1cc2c(cc1OC)CN(c1cc(C)nc(NCc3ccccc3)n1)CC2 ZINC000244210858 136192620 /nfs/dbraw/zinc/19/26/20/136192620.db2.gz VUDKSOFXTLOZSM-UHFFFAOYSA-N 0 1 390.487 3.977 40 0 GHABMN CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cn1 ZINC000072330663 222228385 /nfs/dbraw/zinc/22/83/85/222228385.db2.gz OLQHSJJRQYHTAW-VQTJNVASSA-N 0 1 398.576 3.546 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072348752 222234726 /nfs/dbraw/zinc/23/47/26/222234726.db2.gz VPARGJXYYQLIMX-LJQANCHMSA-N 0 1 381.520 3.805 40 0 GHABMN O=C(CN1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349730 222236716 /nfs/dbraw/zinc/23/67/16/222236716.db2.gz GDNKPXBHCKTNTH-LJQANCHMSA-N 0 1 381.495 3.613 40 0 GHABMN COc1ccccc1Oc1nccnc1C1CCN(Cc2cnn(C)c2C)CC1 ZINC000072362582 222241602 /nfs/dbraw/zinc/24/16/02/222241602.db2.gz KVVHDIAKSVRKOI-UHFFFAOYSA-N 0 1 393.491 3.699 40 0 GHABMN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cnc(C)nc4)C3)cc2n1 ZINC000072397141 222253266 /nfs/dbraw/zinc/25/32/66/222253266.db2.gz ZVJZETCGGDMJDI-OAHLLOKOSA-N 0 1 390.413 3.535 40 0 GHABMN O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053418 222375095 /nfs/dbraw/zinc/37/50/95/222375095.db2.gz GJFMQUOVVRBDQT-SFHVURJKSA-N 0 1 380.488 3.849 40 0 GHABMN CCn1cc(-c2cc(C(=O)Nc3nnc(-c4cccc(C)c4)s3)no2)cn1 ZINC000019719247 570210563 /nfs/dbraw/zinc/21/05/63/570210563.db2.gz WEWANWUVTDROLY-UHFFFAOYSA-N 0 1 380.433 3.637 40 0 GHABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2nsnc2c1 ZINC000057315644 570360410 /nfs/dbraw/zinc/36/04/10/570360410.db2.gz OZZOTUOQJLJOPM-UHFFFAOYSA-N 0 1 399.284 3.831 40 0 GHABMN N[C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000685938866 570398163 /nfs/dbraw/zinc/39/81/63/570398163.db2.gz PTBLQLIJUVBVLS-IAGOWNOFSA-N 0 1 391.265 3.686 40 0 GHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000030755901 570495262 /nfs/dbraw/zinc/49/52/62/570495262.db2.gz RTIZUEPJUMYLHG-UHFFFAOYSA-N 0 1 394.880 3.585 40 0 GHABMN O=C(NCCOCc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224534760 570517405 /nfs/dbraw/zinc/51/74/05/570517405.db2.gz QCDHRBCQVVJBIX-UHFFFAOYSA-N 0 1 386.923 3.885 40 0 GHABMN Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cccc4c[nH]nc43)CC1)O2 ZINC000049114528 570662109 /nfs/dbraw/zinc/66/21/09/570662109.db2.gz CHEUTPWOLURCHV-UHFFFAOYSA-N 0 1 389.455 3.820 40 0 GHABMN Cc1nc([C@]2(C)CCC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)c2sccn12 ZINC000257221960 570763076 /nfs/dbraw/zinc/76/30/76/570763076.db2.gz DRHIZHMUOZKDDD-OAQYLSRUSA-N 0 1 399.516 3.721 40 0 GHABMN COC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000009062668 570773684 /nfs/dbraw/zinc/77/36/84/570773684.db2.gz QHBZNZDHBMBWLL-UHFFFAOYSA-N 0 1 386.879 3.977 40 0 GHABMN COc1ccccc1N1CCC([N@@H+](CC(=O)[O-])Cc2cccc(Cl)c2)CC1 ZINC000257301062 570778610 /nfs/dbraw/zinc/77/86/10/570778610.db2.gz RWVNDWNMTONUPW-UHFFFAOYSA-N 0 1 388.895 3.904 40 0 GHABMN CNC(=O)c1sc2nc([C@H]3CCCCN3Cc3cccc(C)n3)ccc2c1N ZINC000257332359 570782880 /nfs/dbraw/zinc/78/28/80/570782880.db2.gz XWYOURDVUQZKPR-QGZVFWFLSA-N 0 1 395.532 3.669 40 0 GHABMN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN(C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104890 570933944 /nfs/dbraw/zinc/93/39/44/570933944.db2.gz VYKKWUVXVNGLPY-QFIPXVFZSA-N 0 1 393.531 3.533 40 0 GHABMN Cc1ccsc1CN1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132583 570940463 /nfs/dbraw/zinc/94/04/63/570940463.db2.gz LMWJDDYVHPYUFZ-IBGZPJMESA-N 0 1 395.576 3.793 40 0 GHABMN O=C1c2cccn2[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306135884 570942015 /nfs/dbraw/zinc/94/20/15/570942015.db2.gz PDUYEIZEDZKVJX-FCHUYYIVSA-N 0 1 393.437 3.848 40 0 GHABMN O=C(c1ccccc1Br)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000238907194 570981461 /nfs/dbraw/zinc/98/14/61/570981461.db2.gz RXTIGKLAJXZYQR-KRWDZBQOSA-N 0 1 385.305 3.722 40 0 GHABMN CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019533266 570999828 /nfs/dbraw/zinc/99/98/28/570999828.db2.gz BCTVJMDFHXEUTE-OAQYLSRUSA-N 0 1 390.487 3.958 40 0 GHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2Cl)cc1 ZINC000006235009 856377121 /nfs/dbraw/zinc/37/71/21/856377121.db2.gz MPOKJNAEQZKDQN-UHFFFAOYSA-N 0 1 380.897 3.978 40 0 GHABMN COc1ccc(CCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063290 856410142 /nfs/dbraw/zinc/41/01/42/856410142.db2.gz UWYNTGHVEZQCKA-UHFFFAOYSA-N 0 1 386.923 3.920 40 0 GHABMN Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(N)=O ZINC000032081957 856436682 /nfs/dbraw/zinc/43/66/82/856436682.db2.gz HSNRNESVBSJGTA-UHFFFAOYSA-N 0 1 382.441 3.687 40 0 GHABMN COc1ccc([C@@H](N)c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1OC ZINC000095533863 860614261 /nfs/dbraw/zinc/61/42/61/860614261.db2.gz NJMGYXBORSVPRE-OAHLLOKOSA-N 0 1 378.354 3.556 40 0 GHABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCCO2 ZINC000408628433 231088571 /nfs/dbraw/zinc/08/85/71/231088571.db2.gz SYMOJHYUXCMLSA-UHFFFAOYSA-N 0 1 399.255 3.597 40 0 GHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225705593 222691985 /nfs/dbraw/zinc/69/19/85/222691985.db2.gz ZEJYWGOMULWFRE-UHFFFAOYSA-N 0 1 392.502 3.762 40 0 GHABMN Cc1cccc(C)c1NC(=O)CN(CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000001668545 212254181 /nfs/dbraw/zinc/25/41/81/212254181.db2.gz MNXKPHJMSHXNDP-HXUWFJFHSA-N 0 1 384.520 3.640 40 0 GHABMN Oc1c(Cl)cc(Nc2cc(C(F)(F)F)nc(NC3CC3)n2)cc1Cl ZINC000328999263 212092423 /nfs/dbraw/zinc/09/24/23/212092423.db2.gz JVJCHMVMNHBCIW-UHFFFAOYSA-N 0 1 379.169 3.670 40 0 GHABMN O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCc2ccccc21 ZINC000012113976 221152051 /nfs/dbraw/zinc/15/20/51/221152051.db2.gz TZCFTTAHVUFWNV-UHFFFAOYSA-N 0 1 378.472 3.574 40 0 GHABMN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 ZINC000012118662 221153170 /nfs/dbraw/zinc/15/31/70/221153170.db2.gz LPZZZBFIAJGMPK-KRWDZBQOSA-N 0 1 390.491 3.713 40 0 GHABMN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293728 221175922 /nfs/dbraw/zinc/17/59/22/221175922.db2.gz WAINOKZUJMAMQA-VQTJNVASSA-N 0 1 389.442 3.657 40 0 GHABMN CCOc1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000012188393 221165466 /nfs/dbraw/zinc/16/54/66/221165466.db2.gz COWRFWZWAZCGFB-OFNKIYASSA-N 0 1 394.515 3.831 40 0 GHABMN CCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C ZINC000012203714 221168488 /nfs/dbraw/zinc/16/84/88/221168488.db2.gz HISSEDXBQZJDRK-FQEVSTJZSA-N 0 1 393.487 3.800 40 0 GHABMN Cc1cc(C)n2nc(C3=CCN(C[C@@H](O)c4ccc(Cl)cc4)CC3)cc2n1 ZINC000012233111 221171543 /nfs/dbraw/zinc/17/15/43/221171543.db2.gz HTZKZMYSQRFSTK-HXUWFJFHSA-N 0 1 382.895 3.822 40 0 GHABMN CC(=O)N(C)C1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 ZINC000019016366 221394340 /nfs/dbraw/zinc/39/43/40/221394340.db2.gz LCXBNOHCPCWQPS-UHFFFAOYSA-N 0 1 379.504 3.636 40 0 GHABMN CN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2N)CC1 ZINC000072229222 136167687 /nfs/dbraw/zinc/16/76/87/136167687.db2.gz PSOBQVFBZLPBIL-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN c1cc(CN[C@H]2CC3(CCN(c4ncccn4)CC3)Oc3ccccc32)co1 ZINC000096079823 136183512 /nfs/dbraw/zinc/18/35/12/136183512.db2.gz FCXXHIAZFHNRMI-IBGZPJMESA-N 0 1 376.460 3.722 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348764 222235323 /nfs/dbraw/zinc/23/53/23/222235323.db2.gz ZZVZVEMVEHQRJS-IBGZPJMESA-N 0 1 383.511 3.859 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353263 222237638 /nfs/dbraw/zinc/23/76/38/222237638.db2.gz VBPUHLNUKFNTRN-GOSISDBHSA-N 0 1 381.524 3.576 40 0 GHABMN Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2CCOCc2ccccc2)ccn1 ZINC000072357469 222239134 /nfs/dbraw/zinc/23/91/34/222239134.db2.gz LACCEMMZDYVVJB-HXUWFJFHSA-N 0 1 377.492 3.798 40 0 GHABMN Cc1nnc(Nc2cc([C@H]3CCCN3C(=O)c3ccccc3)nc(C)n2)s1 ZINC000072360192 222241260 /nfs/dbraw/zinc/24/12/60/222241260.db2.gz LGSQOKSKABQMSC-MRXNPFEDSA-N 0 1 380.477 3.666 40 0 GHABMN Cc1cnc(C(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 ZINC000072374928 222243290 /nfs/dbraw/zinc/24/32/90/222243290.db2.gz GEDNWJCFVQABEN-KRWDZBQOSA-N 0 1 388.475 3.647 40 0 GHABMN CC(=O)Nc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072378009 222245394 /nfs/dbraw/zinc/24/53/94/222245394.db2.gz FPWUUVYMQHOCDN-FQEVSTJZSA-N 0 1 388.475 3.911 40 0 GHABMN Clc1ccc(CN2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244103 570223735 /nfs/dbraw/zinc/22/37/35/570223735.db2.gz CUTXCCRLRSDARH-NRFANRHFSA-N 0 1 384.911 3.626 40 0 GHABMN Cc1cc2nc3c(c(=O)n2[n-]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000100731768 570275494 /nfs/dbraw/zinc/27/54/94/570275494.db2.gz ALFNEIFVVKTJIC-UONOGXRCSA-N 0 1 386.858 3.668 40 0 GHABMN N[C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CCCO1 ZINC000685938865 570398184 /nfs/dbraw/zinc/39/81/84/570398184.db2.gz PTBLQLIJUVBVLS-DLBZAZTESA-N 0 1 391.265 3.686 40 0 GHABMN COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039772350 570446513 /nfs/dbraw/zinc/44/65/13/570446513.db2.gz KQAGZCNPZDJUTQ-UHFFFAOYSA-N 0 1 386.879 3.977 40 0 GHABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)cc2oc1=O ZINC000223361688 570461833 /nfs/dbraw/zinc/46/18/33/570461833.db2.gz CDUDLAMIGOQQJJ-UHFFFAOYSA-N 0 1 380.853 3.685 40 0 GHABMN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000007405712 570758545 /nfs/dbraw/zinc/75/85/45/570758545.db2.gz BJAOPHBMDRZDQI-UHFFFAOYSA-N 0 1 393.770 3.931 40 0 GHABMN Cc1ccc(SCc2cc(O)c3c(=O)n(-c4ccc(F)cc4)nc-3[nH]2)cc1 ZINC000008020767 570765021 /nfs/dbraw/zinc/76/50/21/570765021.db2.gz NIPMOQVQWDXTKE-UHFFFAOYSA-N 0 1 381.432 3.747 40 0 GHABMN COc1ncc(CN2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 ZINC000257232520 570765753 /nfs/dbraw/zinc/76/57/53/570765753.db2.gz GLFSMMPXPINWHQ-GOSISDBHSA-N 0 1 379.464 3.532 40 0 GHABMN CC(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(NCc3ccc(F)cc3)c2)C1 ZINC000257257121 570771105 /nfs/dbraw/zinc/77/11/05/570771105.db2.gz KODNWOHCMQVRNW-KRWDZBQOSA-N 0 1 379.439 3.559 40 0 GHABMN O=C([O-])c1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000257266890 570772600 /nfs/dbraw/zinc/77/26/00/570772600.db2.gz MEZZPCFHXKBQTD-NZQKXSOJSA-N 0 1 396.462 3.552 40 0 GHABMN Cc1ccccc1CN1CCN(c2c(F)cccc2[C@@H](O)c2nccs2)CC1 ZINC000019237234 570966852 /nfs/dbraw/zinc/96/68/52/570966852.db2.gz PSSSXIWMAQTJKS-OAQYLSRUSA-N 0 1 397.519 3.995 40 0 GHABMN Cn1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cc2cc(Cl)ccc21 ZINC000019289774 570971481 /nfs/dbraw/zinc/97/14/81/570971481.db2.gz HVQJBSULEPSJOM-UHFFFAOYSA-N 0 1 382.895 3.621 40 0 GHABMN Fc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1F ZINC000019344979 570977534 /nfs/dbraw/zinc/97/75/34/570977534.db2.gz LTMYJVFLTFCUAN-AWEZNQCLSA-N 0 1 375.448 3.592 40 0 GHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1)c1cccs1 ZINC000019400746 570982715 /nfs/dbraw/zinc/98/27/15/570982715.db2.gz BMSUIFSKDWZQQA-RXVVDRJESA-N 0 1 392.528 3.921 40 0 GHABMN CC(C)Oc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1 ZINC000019450822 570985480 /nfs/dbraw/zinc/98/54/80/570985480.db2.gz AGYZUKXYROATOO-SFHVURJKSA-N 0 1 390.487 3.609 40 0 GHABMN CC(C)Oc1cccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1 ZINC000019450822 570985483 /nfs/dbraw/zinc/98/54/83/570985483.db2.gz AGYZUKXYROATOO-SFHVURJKSA-N 0 1 390.487 3.609 40 0 GHABMN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000019522080 570995011 /nfs/dbraw/zinc/99/50/11/570995011.db2.gz OHYVNVWETPJXMH-UHFFFAOYSA-N 0 1 393.369 3.547 40 0 GHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H]3c3ccc(-c4cncnc4)cn3)c2c1 ZINC000019688663 571028644 /nfs/dbraw/zinc/02/86/44/571028644.db2.gz SQCHTEWXBLLSKX-FQEVSTJZSA-N 0 1 384.443 3.701 40 0 GHABMN CC(C)OCCCNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000047753391 839125232 /nfs/dbraw/zinc/12/52/32/839125232.db2.gz CAIBBJVTRSISRT-UHFFFAOYSA-N 0 1 397.357 3.592 40 0 GHABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000033558315 856438387 /nfs/dbraw/zinc/43/83/87/856438387.db2.gz KSGTWQKAVVYMIS-LFIBNONCSA-N 0 1 396.468 3.938 40 0 GHABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccco2)nc(C)n1 ZINC000015672570 291131577 /nfs/dbraw/zinc/13/15/77/291131577.db2.gz GXTOHSQVMJIERT-OTWHNJEPSA-N 0 1 396.535 3.775 40 0 biogenic,in-vitro GHABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nc(C)n1 ZINC000015672570 291131578 /nfs/dbraw/zinc/13/15/78/291131578.db2.gz GXTOHSQVMJIERT-OTWHNJEPSA-N 0 1 396.535 3.775 40 0 biogenic,in-vitro GHABMN CN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000226259396 212114399 /nfs/dbraw/zinc/11/43/99/212114399.db2.gz VDLSVJJOQSRLFC-UHFFFAOYSA-N 0 1 379.291 3.580 40 0 GHABMN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035052917 212111534 /nfs/dbraw/zinc/11/15/34/212111534.db2.gz PCYLJSIICAVAJD-UOAUAQBLSA-N 0 1 390.543 3.540 40 0 GHABMN CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329012568 212093534 /nfs/dbraw/zinc/09/35/34/212093534.db2.gz MKMJGNXFYCEJDV-UHFFFAOYSA-N 0 1 376.247 3.570 40 0 GHABMN COc1ccc(Cl)cc1NC(=N)Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000010156490 221098891 /nfs/dbraw/zinc/09/88/91/221098891.db2.gz SAXYUIKZDCZESY-UHFFFAOYSA-N 0 1 397.866 3.790 40 0 GHABMN COCCOc1cc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222526 221169228 /nfs/dbraw/zinc/16/92/28/221169228.db2.gz RGOZZDYEWGSRGH-IBGZPJMESA-N 0 1 381.476 3.934 40 0 GHABMN COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1cccn1 ZINC000012240446 221171912 /nfs/dbraw/zinc/17/19/12/221171912.db2.gz NYYFVDQTXYXAGU-UHFFFAOYSA-N 0 1 395.478 3.563 40 0 GHABMN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1)c1cccs1 ZINC000019400767 221412478 /nfs/dbraw/zinc/41/24/78/221412478.db2.gz OGCHUPSANHBIES-GHTZIAJQSA-N 0 1 392.528 3.921 40 0 GHABMN Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCN(C)CC1 ZINC000226329779 136192626 /nfs/dbraw/zinc/19/26/26/136192626.db2.gz QBCKESLAWQZKMP-UHFFFAOYSA-N 0 1 380.536 3.879 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348761 222234507 /nfs/dbraw/zinc/23/45/07/222234507.db2.gz XRZBREMUQKEWCU-LJQANCHMSA-N 0 1 383.511 3.859 40 0 GHABMN CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353264 222237774 /nfs/dbraw/zinc/23/77/74/222237774.db2.gz NNIDNCGOWCWSTK-SFHVURJKSA-N 0 1 381.524 3.576 40 0 GHABMN O=C(CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCCC1 ZINC000072359366 222239281 /nfs/dbraw/zinc/23/92/81/222239281.db2.gz FKGQUUJEIUHOIP-UHFFFAOYSA-N 0 1 398.938 3.989 40 0 GHABMN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC000072384016 222246838 /nfs/dbraw/zinc/24/68/38/222246838.db2.gz BQCPVYJDCZWQTI-INIZCTEOSA-N 0 1 381.411 3.807 40 0 GHABMN CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000072393204 222251026 /nfs/dbraw/zinc/25/10/26/222251026.db2.gz LOUJEJPEDPEJNE-SFHVURJKSA-N 0 1 390.487 3.610 40 0 GHABMN CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000072393204 222251032 /nfs/dbraw/zinc/25/10/32/222251032.db2.gz LOUJEJPEDPEJNE-SFHVURJKSA-N 0 1 390.487 3.610 40 0 GHABMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000113950426 536045333 /nfs/dbraw/zinc/04/53/33/536045333.db2.gz NTCUPOQSPGPBII-QFIPXVFZSA-N 0 1 381.520 3.851 40 0 GHABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289440 560032727 /nfs/dbraw/zinc/03/27/27/560032727.db2.gz UJBQIPGYRYRHCD-ROUUACIJSA-N 0 1 393.487 3.727 40 0 biogenic,in-vitro GHABMN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(Cc2cccc(Cl)c2)C1 ZINC000096244518 570224108 /nfs/dbraw/zinc/22/41/08/570224108.db2.gz QDKABLXMNNEUCL-JOCHJYFZSA-N 0 1 398.938 3.934 40 0 GHABMN CC1CCN(C(=O)CN2CCC(c3cccc(Nc4nccs4)n3)CC2)CC1 ZINC000585262634 570230790 /nfs/dbraw/zinc/23/07/90/570230790.db2.gz LOCDWQDEKGPPAV-UHFFFAOYSA-N 0 1 399.564 3.720 40 0 GHABMN CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747702 570291350 /nfs/dbraw/zinc/29/13/50/570291350.db2.gz NYKMXWYQTZZMKF-RTBURBONSA-N 0 1 384.476 3.955 40 0 GHABMN CSc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223329922 570459169 /nfs/dbraw/zinc/45/91/69/570459169.db2.gz QDJJCTVHOHTUJJ-UHFFFAOYSA-N 0 1 382.532 3.890 40 0 GHABMN Cn1cc(Br)c(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)n1 ZINC000006445035 570480321 /nfs/dbraw/zinc/48/03/21/570480321.db2.gz DYJLCFCCESFSMX-UHFFFAOYSA-N 0 1 396.248 3.978 40 0 GHABMN CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000225200369 570555642 /nfs/dbraw/zinc/55/56/42/570555642.db2.gz PICVSKVBPVULHT-ZDUSSCGKSA-N 0 1 380.897 3.915 40 0 GHABMN CSc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1NC(C)=O ZINC000225782312 570616774 /nfs/dbraw/zinc/61/67/74/570616774.db2.gz QPVXEPGFKLLSBB-UHFFFAOYSA-N 0 1 394.518 3.955 40 0 GHABMN COc1cc(CN(CCCn2ccnc2)Cc2ccccc2F)cc2c1OCO2 ZINC000043277853 570627293 /nfs/dbraw/zinc/62/72/93/570627293.db2.gz DXLWVXIFSACCHQ-UHFFFAOYSA-N 0 1 397.450 3.852 40 0 GHABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)CC(C)C)CC1)c1ccccc1 ZINC000257234375 570765922 /nfs/dbraw/zinc/76/59/22/570765922.db2.gz GTGGNAPQCUJUAQ-UHFFFAOYSA-N 0 1 382.508 3.829 40 0 GHABMN COc1cc(CN2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccccc3)C2)ccc1O ZINC000257253517 570770580 /nfs/dbraw/zinc/77/05/80/570770580.db2.gz JZGFVWCHMSJAAU-XZOQPEGZSA-N 0 1 385.504 3.831 40 0 GHABMN Cc1nc2cc([C@@H]3CCCN3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257280305 570774878 /nfs/dbraw/zinc/77/48/78/570774878.db2.gz OKIQTRPSKWQHTE-NRFANRHFSA-N 0 1 397.567 3.883 40 0 GHABMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257291495 570776810 /nfs/dbraw/zinc/77/68/10/570776810.db2.gz QHELCKYUERUICZ-YWMUFLPLSA-N 0 1 392.434 3.540 40 0 GHABMN O=C([O-])COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](Oc4cccc(F)c4)[C@@H]3C2)cc1 ZINC000257301614 570778554 /nfs/dbraw/zinc/77/85/54/570778554.db2.gz RZDHXFCWVXDYFU-DQLDELGASA-N 0 1 385.435 3.579 40 0 GHABMN O=C(CCc1ccccc1)N1CCC2(C[C@H](CN3CCC(F)(F)CC3)O2)CC1 ZINC000306126101 570936742 /nfs/dbraw/zinc/93/67/42/570936742.db2.gz DMYLXEFNEIRWQB-LJQANCHMSA-N 0 1 392.490 3.500 40 0 GHABMN CN1CCN(Cc2cccs2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306127780 570938067 /nfs/dbraw/zinc/93/80/67/570938067.db2.gz GHLKVRSRGMBQGU-NRFANRHFSA-N 0 1 389.528 3.947 40 0 GHABMN Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4ccoc4)CC3)n2n1 ZINC000306132930 570940566 /nfs/dbraw/zinc/94/05/66/570940566.db2.gz LWQHBFOEIKLQLL-UHFFFAOYSA-N 0 1 377.423 3.903 40 0 GHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 ZINC000306139699 570944312 /nfs/dbraw/zinc/94/43/12/570944312.db2.gz TXYROJXOXSRKAE-LEWJYISDSA-N 0 1 393.512 3.640 40 0 GHABMN COc1ccc([C@H]2CCCN2C[C@@H](O)c2cc(F)ccc2OC)cc1OC ZINC000019559137 571004931 /nfs/dbraw/zinc/00/49/31/571004931.db2.gz GIGZBXOXQFJCKF-QZTJIDSGSA-N 0 1 375.440 3.722 40 0 GHABMN CN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589484 571017448 /nfs/dbraw/zinc/01/74/48/571017448.db2.gz UCBMCBINWADIHK-NRFANRHFSA-N 0 1 391.540 3.943 40 0 GHABMN Cc1nn(C)cc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689535 571028674 /nfs/dbraw/zinc/02/86/74/571028674.db2.gz HZSJIJIQZZKRTA-FQEVSTJZSA-N 0 1 376.508 3.589 40 0 GHABMN O=C(c1cccnc1)N1CCC[C@@H]1c1cc(CCOc2ccc(F)cc2)[nH]n1 ZINC000019703599 571031329 /nfs/dbraw/zinc/03/13/29/571031329.db2.gz GCXJRNMIZKLNRK-HXUWFJFHSA-N 0 1 380.423 3.543 40 0 GHABMN COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)[nH]n2)c(OC)c1 ZINC000019716297 571038157 /nfs/dbraw/zinc/03/81/57/571038157.db2.gz YUPZJCOIHAIEAX-UHFFFAOYSA-N 0 1 389.415 3.532 40 0 GHABMN COc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 ZINC000027930354 835417901 /nfs/dbraw/zinc/41/79/01/835417901.db2.gz YQHHPZKJBXPCAM-UHFFFAOYSA-N 0 1 393.262 3.807 40 0 GHABMN O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CC(=O)Nc2ccccc21 ZINC000009063256 856410243 /nfs/dbraw/zinc/41/02/43/856410243.db2.gz MHVDBLFPKCPNEX-UHFFFAOYSA-N 0 1 383.879 3.537 40 0 GHABMN CCOc1ccc([C@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000095534288 860614029 /nfs/dbraw/zinc/61/40/29/860614029.db2.gz KDXDUYQJODEXCF-INIZCTEOSA-N 0 1 392.381 3.946 40 0 GHABMN CC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635473 291130146 /nfs/dbraw/zinc/13/01/46/291130146.db2.gz SNEFWFVDGZYPMK-NNWRFLSQSA-N 0 1 388.515 3.554 40 0 biogenic,in-vitro GHABMN Cc1cc(N2CCCCC2)nc(N2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)n1 ZINC000013561577 212116897 /nfs/dbraw/zinc/11/68/97/212116897.db2.gz LWCCEVPIEREIJB-DETIRCLXSA-N 0 1 396.510 3.933 40 0 GHABMN CC[C@@H](C)Nc1nc(C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329025697 212094034 /nfs/dbraw/zinc/09/40/34/212094034.db2.gz PHWIDYNPEDUAJI-GFCCVEGCSA-N 0 1 375.314 3.743 40 0 GHABMN O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012201727 221166479 /nfs/dbraw/zinc/16/64/79/221166479.db2.gz YQBSTLBFNOHDKS-HXUWFJFHSA-N 0 1 388.870 3.563 40 0 GHABMN COCCOc1cc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222525 221168961 /nfs/dbraw/zinc/16/89/61/221168961.db2.gz RGOZZDYEWGSRGH-LJQANCHMSA-N 0 1 381.476 3.934 40 0 GHABMN COc1ncc(CN2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012408040 221189902 /nfs/dbraw/zinc/18/99/02/221189902.db2.gz DRDUKHPRXXCAAB-YXJHDRRASA-N 0 1 393.409 3.936 40 0 GHABMN O=C(c1ccncc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072378158 222245080 /nfs/dbraw/zinc/24/50/80/222245080.db2.gz LGNDXCICKJMRTH-INIZCTEOSA-N 0 1 396.878 3.709 40 0 GHABMN Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CN2CCCC2)n1 ZINC000072377102 222245440 /nfs/dbraw/zinc/24/54/40/222245440.db2.gz HEUDZAVUMAAHJG-GOSISDBHSA-N 0 1 399.926 3.529 40 0 GHABMN O=c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392714 222249520 /nfs/dbraw/zinc/24/95/20/222249520.db2.gz JIUDIFHIOZZWER-UHFFFAOYSA-N 0 1 382.414 3.902 40 0 GHABMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(N)=O ZINC000408596303 534212993 /nfs/dbraw/zinc/21/29/93/534212993.db2.gz UCIGQXLPEWYRIQ-UHFFFAOYSA-N 0 1 392.786 3.567 40 0 GHABMN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(Cl)c2)NC(=S)N1 ZINC000408603151 528065357 /nfs/dbraw/zinc/06/53/57/528065357.db2.gz AYXCIAVYEYUBEY-INIZCTEOSA-N 0 1 382.913 3.875 40 0 GHABMN CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000328965970 529357631 /nfs/dbraw/zinc/35/76/31/529357631.db2.gz CHOKCPVPUGWSIY-GFCCVEGCSA-N 0 1 375.314 3.783 40 0 GHABMN CCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980624 534930716 /nfs/dbraw/zinc/93/07/16/534930716.db2.gz VQJBQLBRLOZCLH-UHFFFAOYSA-N 0 1 393.510 3.946 40 0 GHABMN CCc1nnc(SCc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)[nH]1 ZINC000020611456 570272213 /nfs/dbraw/zinc/27/22/13/570272213.db2.gz APXNBBCJKXIALZ-UHFFFAOYSA-N 0 1 396.472 3.683 40 0 GHABMN CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000020611456 570272214 /nfs/dbraw/zinc/27/22/14/570272214.db2.gz APXNBBCJKXIALZ-UHFFFAOYSA-N 0 1 396.472 3.683 40 0 GHABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C ZINC000005235150 570344910 /nfs/dbraw/zinc/34/49/10/570344910.db2.gz AMVHSXAWDGGOEO-UHFFFAOYSA-N 0 1 385.869 3.865 40 0 GHABMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3OC(C)C)cc2sc1=O ZINC000225698530 570604983 /nfs/dbraw/zinc/60/49/83/570604983.db2.gz LDHGOEMFUDCNEH-UHFFFAOYSA-N 0 1 392.502 3.671 40 0 GHABMN COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C ZINC000225798119 570618271 /nfs/dbraw/zinc/61/82/71/570618271.db2.gz SHNVPWGYLALAQQ-UHFFFAOYSA-N 0 1 385.869 3.783 40 0 GHABMN COc1ccc(OC)c([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2C)c1 ZINC000004909316 570647827 /nfs/dbraw/zinc/64/78/27/570647827.db2.gz BAJDMQOQGUUMBY-IBGZPJMESA-N 0 1 383.835 3.922 40 0 GHABMN COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059232961 570652098 /nfs/dbraw/zinc/65/20/98/570652098.db2.gz DKNNGNCHGIDHPH-VGOFMYFVSA-N 0 1 393.226 3.761 40 0 GHABMN COc1ncc(CN2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)cn1 ZINC000257206633 570760530 /nfs/dbraw/zinc/76/05/30/570760530.db2.gz BEHDWBZFHVQJES-UHFFFAOYSA-N 0 1 379.464 3.532 40 0 GHABMN CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257219367 570762699 /nfs/dbraw/zinc/76/26/99/570762699.db2.gz DGNUTEVKBVLYBA-SFHVURJKSA-N 0 1 378.432 3.814 40 0 GHABMN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccsc4)s3)[nH]n2)cc1 ZINC000066087735 570776136 /nfs/dbraw/zinc/77/61/36/570776136.db2.gz RIKBQPACQANZIC-UHFFFAOYSA-N 0 1 380.458 3.980 40 0 GHABMN Cc1nnc([C@@]2(C)CCC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)o1 ZINC000257298732 570777866 /nfs/dbraw/zinc/77/78/66/570777866.db2.gz RNBQORJXQCTQMO-NRFANRHFSA-N 0 1 381.432 3.890 40 0 GHABMN CCCCc1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)n[nH]1 ZINC000257309717 570779484 /nfs/dbraw/zinc/77/94/84/570779484.db2.gz UCCQHSPGSCTSHJ-DENIHFKCSA-N 0 1 383.492 3.595 40 0 GHABMN CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000033606226 570910165 /nfs/dbraw/zinc/91/01/65/570910165.db2.gz PPLBMXWRPNNQHX-ZDUSSCGKSA-N 0 1 380.897 3.978 40 0 GHABMN O=C1c2cccn2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306135887 570942208 /nfs/dbraw/zinc/94/22/08/570942208.db2.gz PDUYEIZEDZKVJX-YADHBBJMSA-N 0 1 393.437 3.848 40 0 GHABMN Cc1cccc(CN2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306135958 570942820 /nfs/dbraw/zinc/94/28/20/570942820.db2.gz PFEDJRCSXJHMFF-QFIPXVFZSA-N 0 1 389.547 3.732 40 0 GHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306139701 570944330 /nfs/dbraw/zinc/94/43/30/570944330.db2.gz TXYROJXOXSRKAE-RTWAWAEBSA-N 0 1 393.512 3.640 40 0 GHABMN O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000019401682 570982884 /nfs/dbraw/zinc/98/28/84/570982884.db2.gz RMRSIAVSGZIJCA-QGZVFWFLSA-N 0 1 394.450 3.518 40 0 GHABMN CCOc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC ZINC000019531930 570999318 /nfs/dbraw/zinc/99/93/18/570999318.db2.gz UMVPAKHPSSSIQO-QHCPKHFHSA-N 0 1 397.519 3.578 40 0 GHABMN