smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1 ZINC000072439271 835997368 /nfs/dbraw/zinc/99/73/68/835997368.db2.gz WPQXWBHFXQVZOY-UHFFFAOYSA-N 0 1 350.448 0.446 50 0 FCAAMN NC(=O)C[C@@H]1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000585084686 836089409 /nfs/dbraw/zinc/08/94/09/836089409.db2.gz TVEHDPXZDBHAQJ-AWEZNQCLSA-N 0 1 367.471 0.405 50 0 FCAAMN CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] ZINC000004042226 204118027 /nfs/dbraw/zinc/11/80/27/204118027.db2.gz LSQZJLSUYDQPKJ-ICUOPCATSA-N 0 1 365.411 0.024 50 0 endogenous,in-man FCAAMN CCOC(=O)[C@H]1C(=O)NC(N2CCOCC2)=N[C@@H]1c1ccccc1OC ZINC000010339413 204394609 /nfs/dbraw/zinc/39/46/09/204394609.db2.gz BPYFEKKVNLPAGF-HUUCEWRRSA-N 0 1 361.398 0.734 50 0 FCAAMN O=C(c1cnn(C(=S)NCCN2CCOCC2)c1)c1ccccc1O ZINC000023409355 204805105 /nfs/dbraw/zinc/80/51/05/204805105.db2.gz OFHKXOGKDZQVJA-UHFFFAOYSA-N 0 1 360.439 0.875 50 0 FCAAMN COCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000045944464 205127479 /nfs/dbraw/zinc/12/74/79/205127479.db2.gz RJNJVMZOFBCYLU-UHFFFAOYSA-N 0 1 369.487 0.454 50 0 FCAAMN CCc1nc(SCC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)n[nH]1 ZINC000055131183 205208978 /nfs/dbraw/zinc/20/89/78/205208978.db2.gz JYYKYOLOTBPHJO-GFCCVEGCSA-N 0 1 367.475 0.699 50 0 FCAAMN CCc1n[nH]c(SCC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000055131183 205208980 /nfs/dbraw/zinc/20/89/80/205208980.db2.gz JYYKYOLOTBPHJO-GFCCVEGCSA-N 0 1 367.475 0.699 50 0 FCAAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000055281448 205213405 /nfs/dbraw/zinc/21/34/05/205213405.db2.gz UTOFERLWVXOYMH-UHFFFAOYSA-N 0 1 355.398 0.813 50 0 FCAAMN COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414204 205240519 /nfs/dbraw/zinc/24/05/19/205240519.db2.gz CRROORBSYDHCQN-MRXNPFEDSA-N 0 1 372.425 0.665 50 0 FCAAMN CCOC(=O)N1CCC(N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000065395561 205345414 /nfs/dbraw/zinc/34/54/14/205345414.db2.gz HZWHENBMNGDBQL-UHFFFAOYSA-N 0 1 361.446 0.923 50 0 FCAAMN CN(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 ZINC000065409979 205348856 /nfs/dbraw/zinc/34/88/56/205348856.db2.gz NQWMFGDWFMUAON-OLZOCXBDSA-N 0 1 352.412 0.479 50 0 FCAAMN CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067563096 205374883 /nfs/dbraw/zinc/37/48/83/205374883.db2.gz XYIASCKSBQYRMT-SFHVURJKSA-N 0 1 367.421 0.366 50 0 FCAAMN CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C)c2c(=O)[nH]nc-2[n-]1 ZINC000067724985 205386903 /nfs/dbraw/zinc/38/69/03/205386903.db2.gz CLWBTFUUGFBFOV-PWSUYJOCSA-N 0 1 360.418 0.382 50 0 FCAAMN O=c1[n-]c(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)n[nH]1 ZINC000067772675 205390783 /nfs/dbraw/zinc/39/07/83/205390783.db2.gz FBFGBUUQCNWTTG-SFHVURJKSA-N 0 1 359.430 0.174 50 0 FCAAMN CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+]1Cc3nc(C)n(C)c(=O)c3C1)C2 ZINC000067851217 205398012 /nfs/dbraw/zinc/39/80/12/205398012.db2.gz MABRMNUFCFZIQD-NSHDSACASA-N 0 1 357.414 0.876 50 0 FCAAMN Cc1ccc2nc(SCC(=O)N3CCN4C(=O)CNC(=O)[C@@H]4C3)[nH]c2c1 ZINC000067871885 205399253 /nfs/dbraw/zinc/39/92/53/205399253.db2.gz CKMOBRJOFZTOBB-ZDUSSCGKSA-N 0 1 373.438 0.133 50 0 FCAAMN O=C(C[C@@H]1COCCN1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000072165767 205495259 /nfs/dbraw/zinc/49/52/59/205495259.db2.gz RNSMTKOESIXZKX-SECBINFHSA-N 0 1 365.381 0.584 50 0 FCAAMN COCCN1CC[C@]2(CN(Cc3nc(C)no3)CCN2C)CCC1=O ZINC000091690586 205688534 /nfs/dbraw/zinc/68/85/34/205688534.db2.gz YYCSQVHQFSVPQZ-KRWDZBQOSA-N 0 1 351.451 0.523 50 0 FCAAMN CN1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCNC(=O)CC2 ZINC000107656876 206021508 /nfs/dbraw/zinc/02/15/08/206021508.db2.gz PAAMBNYGPYSFAT-HXUWFJFHSA-N 0 1 356.470 0.862 50 0 FCAAMN CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000193984023 206330290 /nfs/dbraw/zinc/33/02/90/206330290.db2.gz NAGJURQUCYRHER-INIZCTEOSA-N 0 1 366.487 0.586 50 0 FCAAMN CCn1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)c1=O ZINC000020757769 206342960 /nfs/dbraw/zinc/34/29/60/206342960.db2.gz INQLFKGBUMGETM-HNNXBMFYSA-N 0 1 356.382 0.987 50 0 biogenic FCAAMN CN1CCN(CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020727219 206343084 /nfs/dbraw/zinc/34/30/84/206343084.db2.gz MPVFHWOFEJGSNZ-UHFFFAOYSA-N 0 1 362.293 0.975 50 0 FCAAMN COCCN1C[C@@H](C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)CC1=O ZINC000215646591 206349830 /nfs/dbraw/zinc/34/98/30/206349830.db2.gz KVEMAUZQBFMDNY-AWEZNQCLSA-N 0 1 369.425 0.851 50 0 FCAAMN CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3cccnn13)C2 ZINC000218983477 206376374 /nfs/dbraw/zinc/37/63/74/206376374.db2.gz RTYFGKXNQCRNHU-HNNXBMFYSA-N 0 1 355.402 0.177 50 0 FCAAMN COc1ccc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1 ZINC000220347688 206399209 /nfs/dbraw/zinc/39/92/09/206399209.db2.gz ZRLRCVPHURYLAM-INIZCTEOSA-N 0 1 359.430 0.928 50 0 FCAAMN CCc1ncc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cn1 ZINC000223101506 206432526 /nfs/dbraw/zinc/43/25/26/206432526.db2.gz CUMJNBFVYKSXKO-MRXNPFEDSA-N 0 1 358.446 0.877 50 0 FCAAMN Nc1cc(N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)nc(N)n1 ZINC000077488611 132187451 /nfs/dbraw/zinc/18/74/51/132187451.db2.gz FJSJTRLTKCHJOU-SFHVURJKSA-N 0 1 370.461 0.816 50 0 FCAAMN NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000237944347 132248449 /nfs/dbraw/zinc/24/84/49/132248449.db2.gz HZVCUQSSLPOAQY-KRWDZBQOSA-N 0 1 365.437 0.544 50 0 FCAAMN O=C([O-])COc1ccc(C[NH+]2CCN(c3ccnc4nncn43)CC2)cc1 ZINC000215437328 132270259 /nfs/dbraw/zinc/27/02/59/132270259.db2.gz QAQGLNCTPHMWDP-UHFFFAOYSA-N 0 1 368.397 0.910 50 0 FCAAMN CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(c1ncnc3[nH]cnc31)C2 ZINC000219886140 132275113 /nfs/dbraw/zinc/27/51/13/132275113.db2.gz CMHDUOGQISYODX-LBPRGKRZSA-N 0 1 356.390 0.081 50 0 FCAAMN COCCN1C[C@@H](CNC(=O)c2ccc(N3CCN(C)CC3)cc2)CC1=O ZINC000221334955 132276468 /nfs/dbraw/zinc/27/64/68/132276468.db2.gz BBGNZWVUAOMHPQ-MRXNPFEDSA-N 0 1 374.485 0.663 50 0 FCAAMN COC[C@@H](C)OC[C@@H](O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000241515498 132289556 /nfs/dbraw/zinc/28/95/56/132289556.db2.gz OFVJVHJLVWZFQP-PBHICJAKSA-N 0 1 351.447 0.320 50 0 FCAAMN CSCC[C@@H](NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C)C(=O)[O-] ZINC000299784556 132299989 /nfs/dbraw/zinc/29/99/89/132299989.db2.gz OGBXHQYUFUJMJA-CYBMUJFWSA-N 0 1 367.475 0.473 50 0 FCAAMN CN1CCN(c2ccc(CNC(=O)CCCNC(=O)C3CC3)cn2)CC1 ZINC000058171856 136130698 /nfs/dbraw/zinc/13/06/98/136130698.db2.gz CUGFHDJNUHNPRD-UHFFFAOYSA-N 0 1 359.474 0.756 50 0 FCAAMN CN1CCN(c2ncccc2CNC(=O)CCc2nc(Cl)n[nH]2)CC1 ZINC000067677816 136137396 /nfs/dbraw/zinc/13/73/96/136137396.db2.gz ZYQQSIWGWBOAKY-UHFFFAOYSA-N 0 1 363.853 0.854 50 0 FCAAMN Cc1cc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n2ncnc2n1 ZINC000072158536 136143281 /nfs/dbraw/zinc/14/32/81/136143281.db2.gz AEYMMMWIEVLBDA-UHFFFAOYSA-N 0 1 353.434 0.055 50 0 FCAAMN NC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072164621 136143494 /nfs/dbraw/zinc/14/34/94/136143494.db2.gz SACWKABTOHDDGI-MRXNPFEDSA-N 0 1 363.437 0.607 50 0 FCAAMN Cc1nc(C2CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)cc(N2CCOCC2)n1 ZINC000072407466 136145068 /nfs/dbraw/zinc/14/50/68/136145068.db2.gz GYDDSGCUPNLWMI-PXAZEXFGSA-N 0 1 363.462 0.036 50 0 FCAAMN Cc1cccc(N2CCN(CC(=O)N[C@H]3C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)c1 ZINC000252490781 229282121 /nfs/dbraw/zinc/28/21/21/229282121.db2.gz LAWPSQAOTCPXRQ-RDJZCZTQSA-N 0 1 360.458 0.391 50 0 FCAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000299755607 488871728 /nfs/dbraw/zinc/87/17/28/488871728.db2.gz GAJGBPCJKQAJLV-CYBMUJFWSA-N 0 1 356.492 0.785 50 0 FCAAMN CCCCN1CCn2nc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C1 ZINC000299784006 488873184 /nfs/dbraw/zinc/87/31/84/488873184.db2.gz RVUBNTMXRNRSCW-CYBMUJFWSA-N 0 1 354.476 0.550 50 0 FCAAMN C[C@@H]1CN(CCCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000012752586 487557154 /nfs/dbraw/zinc/55/71/54/487557154.db2.gz OVARFZQNJLIHEQ-ZIAGYGMSSA-N 0 1 374.441 0.718 50 0 FCAAMN CCN1CCN(C2=N[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2)CC1 ZINC000013730959 487565442 /nfs/dbraw/zinc/56/54/42/487565442.db2.gz VLCINKKYJMQTRH-OAHLLOKOSA-N 0 1 359.430 0.516 50 0 FCAAMN CCN1CCN(C2=N[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2)CC1 ZINC000013730962 487565875 /nfs/dbraw/zinc/56/58/75/487565875.db2.gz VLCINKKYJMQTRH-HNNXBMFYSA-N 0 1 359.430 0.516 50 0 FCAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@H]1CCS(=O)(=O)C1 ZINC000015905804 487584751 /nfs/dbraw/zinc/58/47/51/487584751.db2.gz AETSJWURUVBECZ-QMMMGPOBSA-N 0 1 358.470 0.929 50 0 FCAAMN Cc1ccc2n[nH]c(C(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)c2c1 ZINC000019787997 487608228 /nfs/dbraw/zinc/60/82/28/487608228.db2.gz MGXMMADVFZZBAJ-UHFFFAOYSA-N 0 1 352.398 0.927 50 0 FCAAMN Cn1nc(C(=O)NCCN2CCN(C)CC2)c2c1-c1ccccc1OC2 ZINC000022936361 487627486 /nfs/dbraw/zinc/62/74/86/487627486.db2.gz OWSWUECUHVBTAY-UHFFFAOYSA-N 0 1 355.442 0.957 50 0 FCAAMN O[C@@H](CN1CCOCC1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025539659 487668230 /nfs/dbraw/zinc/66/82/30/487668230.db2.gz IYGSAZXXCJDWPZ-QGZVFWFLSA-N 0 1 363.458 0.226 50 0 FCAAMN C[C@@H](C(=O)NC(N)=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804126 487784570 /nfs/dbraw/zinc/78/45/70/487784570.db2.gz NSHSVCHCDPBBMH-ZDUSSCGKSA-N 0 1 358.442 0.867 50 0 FCAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21c2cc(C)ccc2NC1=O ZINC000035375132 487797270 /nfs/dbraw/zinc/79/72/70/487797270.db2.gz CEUYDHYSQVRLSX-IHSNIMORSA-N 0 1 369.421 0.868 50 0 FCAAMN CN(C)c1nc2c(c(NC[C@H]3CCCN(S(C)(=O)=O)C3)n1)CCNC2 ZINC000067885368 488357458 /nfs/dbraw/zinc/35/74/58/488357458.db2.gz DCUQDKOCJZGKJJ-GFCCVEGCSA-N 0 1 368.507 0.272 50 0 FCAAMN O=C(NCc1nnc2n1CCCC2)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069936512 488374717 /nfs/dbraw/zinc/37/47/17/488374717.db2.gz XMJIPDVITWFJTA-HNNXBMFYSA-N 0 1 362.478 0.868 50 0 FCAAMN O=C1CN(Cc2cc3n(n2)CCNC3)CCN1Cc1ccc2c(c1)OCO2 ZINC000072122454 488377694 /nfs/dbraw/zinc/37/76/94/488377694.db2.gz KKEKSBPDGOAMEH-UHFFFAOYSA-N 0 1 369.425 0.559 50 0 FCAAMN CN1CCN(C(=O)[C@@H]2CN(Cc3c(Cl)cncc3Cl)CCN2)CC1 ZINC000072129276 488377794 /nfs/dbraw/zinc/37/77/94/488377794.db2.gz AEMULJWKFDBIMG-HNNXBMFYSA-N 0 1 372.300 0.936 50 0 FCAAMN CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1-c1nnc[nH]1)C2 ZINC000072133224 488377914 /nfs/dbraw/zinc/37/79/14/488377914.db2.gz AICICBJFWCOVIZ-UHFFFAOYSA-N 0 1 365.397 0.820 50 0 FCAAMN O=C(C[C@@H]1COCCN1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000072153456 488378470 /nfs/dbraw/zinc/37/84/70/488378470.db2.gz ZJKPLTZVLGBQLB-OAHLLOKOSA-N 0 1 367.471 0.334 50 0 FCAAMN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072174224 488379203 /nfs/dbraw/zinc/37/92/03/488379203.db2.gz SSXARFSFIXMAIH-OAHLLOKOSA-N 0 1 354.410 0.379 50 0 FCAAMN CS(=O)(=O)NCCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072169401 488379359 /nfs/dbraw/zinc/37/93/59/488379359.db2.gz UXCKSLSLFYHSHE-KRWDZBQOSA-N 0 1 365.499 0.627 50 0 FCAAMN NS(=O)(=O)Cc1cccc(-n2ccnc2-c2cc3n(n2)CCNC3)c1 ZINC000072409072 488379955 /nfs/dbraw/zinc/37/99/55/488379955.db2.gz JSGDAKWFHZQCDB-UHFFFAOYSA-N 0 1 358.427 0.628 50 0 FCAAMN 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COc1cc(C(=O)[O-])cc(C(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000426739625 489581692 /nfs/dbraw/zinc/58/16/92/489581692.db2.gz FDHVQQTVLRCELP-HOTGVXAUSA-N 0 1 364.398 0.301 50 0 FCAAMN COc1cc(C(=O)[O-])cc(C(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000426739625 489581693 /nfs/dbraw/zinc/58/16/93/489581693.db2.gz FDHVQQTVLRCELP-HOTGVXAUSA-N 0 1 364.398 0.301 50 0 FCAAMN CNC(=O)C=CCNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000575617853 491556087 /nfs/dbraw/zinc/55/60/87/491556087.db2.gz RHSVGBGUIBABOP-AATRIKPKSA-N 0 1 363.418 0.735 50 0 FCAAMN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)Cc1n[nH]c2c1CCCCC2 ZINC000584900026 491719000 /nfs/dbraw/zinc/71/90/00/491719000.db2.gz WCVIIRXLTBLWPB-HUUCEWRRSA-N 0 1 370.475 0.632 50 0 FCAAMN COCCN(Cc1nccs1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000584903894 491719184 /nfs/dbraw/zinc/71/91/84/491719184.db2.gz NRVGHAKEMVHGFK-CQSZACIVSA-N 0 1 355.508 0.937 50 0 FCAAMN COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C1 ZINC000670453142 493569277 /nfs/dbraw/zinc/56/92/77/493569277.db2.gz XHVPSIVNIWFOGA-ZDUSSCGKSA-N 0 1 356.444 0.940 50 0 FCAAMN CCN1CC[C@@]2(CN(Cc3nc(CCOC)no3)CCN2C)CCC1=O ZINC000091550785 521716533 /nfs/dbraw/zinc/71/65/33/521716533.db2.gz TWURMJMNRRWWPF-GOSISDBHSA-N 0 1 365.478 0.777 50 0 FCAAMN O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059601 526289863 /nfs/dbraw/zinc/28/98/63/526289863.db2.gz ABEBEBYVYIBDCU-CYBMUJFWSA-N 0 1 354.418 0.972 50 0 FCAAMN O=C(NCCN1CCOCC1)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000020622400 526319316 /nfs/dbraw/zinc/31/93/16/526319316.db2.gz OOOVALBFDWGTIC-ZDUSSCGKSA-N 0 1 359.434 0.018 50 0 FCAAMN Cc1noc(COc2ccccc2OC[C@H](O)CN2CCN(C)CC2)n1 ZINC000020469976 526628154 /nfs/dbraw/zinc/62/81/54/526628154.db2.gz TXAKMPGFVBPDFS-OAHLLOKOSA-N 0 1 362.430 0.944 50 0 FCAAMN CCCN1CCc2[nH]cnc2C12CCN(C(=O)Cc1[nH]c(O)nc1O)CC2 ZINC000096150560 528262265 /nfs/dbraw/zinc/26/22/65/528262265.db2.gz ULKHRRASYRGWCL-ZDUSSCGKSA-N 0 1 374.445 0.094 50 0 FCAAMN CC(C)c1cc(C(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)nc(N)n1 ZINC000299793406 535353427 /nfs/dbraw/zinc/35/34/27/535353427.db2.gz IRTIDMMJJLGSJP-UHFFFAOYSA-N 0 1 367.417 0.811 50 0 FCAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2N)CC1 ZINC000003886890 535747818 /nfs/dbraw/zinc/74/78/18/535747818.db2.gz KXPRSJOCTXPIPD-UHFFFAOYSA-N 0 1 354.476 0.432 50 0 FCAAMN Cc1c(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cnn1C ZINC000585094348 547338791 /nfs/dbraw/zinc/33/87/91/547338791.db2.gz MRMSLZOKGJJRNS-CQSZACIVSA-N 0 1 356.492 0.992 50 0 FCAAMN CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC000222727279 568557123 /nfs/dbraw/zinc/55/71/23/568557123.db2.gz ZPNSOCMITTYHMY-INIZCTEOSA-N 0 1 358.446 0.736 50 0 FCAAMN CCN1CCN(CC(=O)NC2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000952985259 674482228 /nfs/dbraw/zinc/48/22/28/674482228.db2.gz AMRRJKZNTULQKY-UHFFFAOYSA-N 0 1 351.495 0.420 50 0 FCAAMN Cc1ccc(N2CCC3(CC2)c2[nH]cnc2CCN3S(C)(=O)=O)nn1 ZINC000091594166 663368971 /nfs/dbraw/zinc/36/89/71/663368971.db2.gz 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ZINC000585080182 1203172121 /nfs/dbraw/zinc/17/21/21/1203172121.db2.gz CXRSOCZYQXVLNA-NRFANRHFSA-N 0 1 373.497 0.997 50 0 FCAAMN Cc1ccccc1OC[C@@H](O)C(=O)NCC1(CN2CCN(C)CC2)CC1 ZINC000952868699 1206211802 /nfs/dbraw/zinc/21/18/02/1206211802.db2.gz CVPJHMUCFDYMSV-QGZVFWFLSA-N 0 1 361.486 0.879 50 0 FCAAMN Cn1ncc(N2CCN(C(=O)Nc3nc(-c4ccco4)n[nH]3)CC2)cc1=O ZINC000048389201 1208009983 /nfs/dbraw/zinc/00/99/83/1208009983.db2.gz WYVMYAYVEVOUEC-UHFFFAOYSA-N 0 1 370.373 0.513 50 0 FCAAMN COC[C@@H]1CCCN(S(=O)(=O)NCC2(CN3CCN(C)CC3)CC2)C1 ZINC001506399484 1264317610 /nfs/dbraw/zinc/31/76/10/1264317610.db2.gz NKRJUFLPBGKXMO-MRXNPFEDSA-N 0 1 374.551 0.207 50 0 FCAAMN CN(C)CCc1nnc(NC(=O)Cn2ncc3ccccc3c2=O)s1 ZINC001506405998 1264318153 /nfs/dbraw/zinc/31/81/53/1264318153.db2.gz DGAFYXQAEWBKEO-UHFFFAOYSA-N 0 1 358.427 0.991 50 0 FCAAMN CSc1ncc(C(=O)[O-])c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001506407356 1264318760 /nfs/dbraw/zinc/31/87/60/1264318760.db2.gz NHYYYUXCSXTZPP-SNVBAGLBSA-N 0 1 353.448 0.896 50 0 FCAAMN Cn1cc(Cl)c(C(=O)N2CCCN(CCN3CCOCC3)CC2)n1 ZINC001529104043 1267029037 /nfs/dbraw/zinc/02/90/37/1267029037.db2.gz KWKBHZCQJMCFMA-UHFFFAOYSA-N 0 1 355.870 0.554 50 0 FCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cn4cnnn4)cc3)C[C@@H]2O)n[nH]1 ZINC001529118181 1267029615 /nfs/dbraw/zinc/02/96/15/1267029615.db2.gz FTNUQAATLMRYNX-WBVHZDCISA-N 0 1 367.413 0.429 50 0 FCAAMN Cc1cccn2c(=O)cc(CN3C[C@@H](Cc4cnccn4)[C@H](O)C3)nc12 ZINC001704306177 1286221480 /nfs/dbraw/zinc/22/14/80/1286221480.db2.gz SDBHZEBEQDEXEZ-RHSMWYFYSA-N 0 1 351.410 0.828 50 0 FCAAMN CCc1cc(N2CCc3c(c(C(=O)[O-])nn3C)C2)nc(N2CCOCC2)[nH+]1 ZINC001704312314 1286222949 /nfs/dbraw/zinc/22/29/49/1286222949.db2.gz PJGSADXFOKTEHP-UHFFFAOYSA-N 0 1 372.429 0.870 50 0 FCAAMN Cc1cc(C[C@@H]2CN(c3cc(N4CCC(O)CC4)ncn3)C[C@@H]2O)[nH]n1 ZINC001704311944 1286223038 /nfs/dbraw/zinc/22/30/38/1286223038.db2.gz GJSLTBQFIHZMOF-CJNGLKHVSA-N 0 1 358.446 0.509 50 0 FCAAMN CN(C)C(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CCN(Cc1cccnc1)C2 ZINC000675010938 836093367 /nfs/dbraw/zinc/09/33/67/836093367.db2.gz OKTRBOKZXWBKTL-WBVHZDCISA-N 0 1 366.487 0.396 50 0 FCAAMN CN(C)C(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CCN(Cc1ccncc1)C2 ZINC000675009682 836093945 /nfs/dbraw/zinc/09/39/45/836093945.db2.gz BQCUBMQYHZRIKK-WBVHZDCISA-N 0 1 366.487 0.396 50 0 FCAAMN CCn1cc(CN(CCOC)C(=O)NC[C@H]2CN(C)CCN2C)cn1 ZINC000824400745 836522802 /nfs/dbraw/zinc/52/28/02/836522802.db2.gz RCNHMMWFKNLHNW-INIZCTEOSA-N 0 1 352.483 0.307 50 0 FCAAMN Cc1[nH]ncc1CN(C)S(=O)(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1 ZINC000952869545 836573066 /nfs/dbraw/zinc/57/30/66/836573066.db2.gz UWPCBRGJNLCBJN-UHFFFAOYSA-N 0 1 363.399 0.491 50 0 FCAAMN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CNCCO1 ZINC000187467033 209213499 /nfs/dbraw/zinc/21/34/99/209213499.db2.gz GXXDOLGSBNYVBE-BXUZGUMPSA-N 0 1 362.348 0.892 50 0 FCAAMN CCc1nc(SCC(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1 ZINC000008707807 204340538 /nfs/dbraw/zinc/34/05/38/204340538.db2.gz JOTIBWKQELLGCI-UHFFFAOYSA-N 0 1 371.444 0.754 50 0 FCAAMN 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