smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=C(C(=O)OCC)[C@@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=S)N1 ZINC000001126855 551614280 /nfs/dbraw/zinc/61/42/80/551614280.db2.gz IGEQAIAGHVLKPM-QGZVFWFLSA-N 0 1 547.415 2.690 50 0 KFAAMN CCCC1=C(C(=O)OCC)[C@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=S)N1 ZINC000001126857 551614306 /nfs/dbraw/zinc/61/43/06/551614306.db2.gz IGEQAIAGHVLKPM-KRWDZBQOSA-N 0 1 547.415 2.690 50 0 KFAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(=O)[nH]c(=O)n(-c2ccc(I)cc2)c1[O-] ZINC000002128847 551772444 /nfs/dbraw/zinc/77/24/44/551772444.db2.gz QHNXHVXFYWIWDC-LJQANCHMSA-N 0 1 530.322 2.561 50 0 biogenic KFAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n(-c2ccc(I)cc2)c1[O-] ZINC000002128848 551772433 /nfs/dbraw/zinc/77/24/33/551772433.db2.gz QHNXHVXFYWIWDC-IBGZPJMESA-N 0 1 530.322 2.561 50 0 biogenic KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139171 551774404 /nfs/dbraw/zinc/77/44/04/551774404.db2.gz NTWGEIYDHYAVDJ-HSNRCERBSA-N 0 1 570.602 2.517 50 0 biogenic KFAAMN COc1ccccc1C[C@@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002139302 551774381 /nfs/dbraw/zinc/77/43/81/551774381.db2.gz BOCSJCZQQYABHK-OIPNOHFQSA-N 0 1 526.593 2.788 50 0 biogenic KFAAMN COc1ccccc1C[C@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000002139303 551774448 /nfs/dbraw/zinc/77/44/48/551774448.db2.gz BOCSJCZQQYABHK-YVXHJSNWSA-N 0 1 526.593 2.788 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000002139390 551774438 /nfs/dbraw/zinc/77/44/38/551774438.db2.gz VTWNVXCBJKJFPN-SAFBISLCSA-N 0 1 556.619 2.797 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144575 551775773 /nfs/dbraw/zinc/77/57/73/551775773.db2.gz NOFRXDKMBYNGSB-VDZJOXJSSA-N 0 1 526.593 2.788 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144578 551775759 /nfs/dbraw/zinc/77/57/59/551775759.db2.gz NOFRXDKMBYNGSB-DGIFUFQNSA-N 0 1 526.593 2.788 50 0 biogenic KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156144 551779715 /nfs/dbraw/zinc/77/97/15/551779715.db2.gz XBJYDSQMRDDDCT-FSQFJQELSA-N 0 1 532.622 2.850 50 0 biogenic KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156147 551779721 /nfs/dbraw/zinc/77/97/21/551779721.db2.gz XBJYDSQMRDDDCT-DIBPYXDISA-N 0 1 532.622 2.850 50 0 biogenic KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000002192229 551790468 /nfs/dbraw/zinc/79/04/68/551790468.db2.gz HNCICGFNJFYBRP-SHJMPOBASA-N 0 1 516.642 2.916 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338513 552097598 /nfs/dbraw/zinc/09/75/98/552097598.db2.gz PAXDIXLXGGVJMI-SAQZZPNQSA-N 0 1 531.794 2.601 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338515 552097474 /nfs/dbraw/zinc/09/74/74/552097474.db2.gz PAXDIXLXGGVJMI-VGHKVXAASA-N 0 1 531.794 2.601 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338516 552097504 /nfs/dbraw/zinc/09/75/04/552097504.db2.gz PAXDIXLXGGVJMI-XQNUDUSMSA-N 0 1 531.794 2.601 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]31)C(=O)N2 ZINC000002338518 552097541 /nfs/dbraw/zinc/09/75/41/552097541.db2.gz PAXDIXLXGGVJMI-XITLKHQFSA-N 0 1 531.794 2.601 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5c(C)cccn5c4=O)n3C)cc2)n1 ZINC000002342761 552098352 /nfs/dbraw/zinc/09/83/52/552098352.db2.gz BXHUZGUMUBAORW-UHFFFAOYSA-N 0 1 517.571 2.955 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5ccccn5c4=O)n3C)cc2)n1 ZINC000002358754 552101797 /nfs/dbraw/zinc/10/17/97/552101797.db2.gz DTFYJPKWYZYJFX-UHFFFAOYSA-N 0 1 503.544 2.646 50 0 KFAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000002434001 552118322 /nfs/dbraw/zinc/11/83/22/552118322.db2.gz RBGHWCNEXVXEIV-XJFCNFDWSA-N 0 1 533.588 2.970 50 0 KFAAMN O=C1NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1Cl ZINC000002437908 552118924 /nfs/dbraw/zinc/11/89/24/552118924.db2.gz ZQLAGGCXZCOZRF-AFMDSPMNSA-N 0 1 505.962 2.918 50 0 KFAAMN Cc1ccc2nc3c(cc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3C)c(=O)n2c1 ZINC000002438813 552119218 /nfs/dbraw/zinc/11/92/18/552119218.db2.gz QJRSZOUJOWHTLX-UHFFFAOYSA-N 0 1 517.571 2.955 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 ZINC000002663409 552150777 /nfs/dbraw/zinc/15/07/77/552150777.db2.gz ZOHMYWVSDKYBBM-UHFFFAOYSA-N 0 1 515.617 2.931 50 0 KFAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709303 552160394 /nfs/dbraw/zinc/16/03/94/552160394.db2.gz YVMSHXGQLSGPFG-UHFFFAOYSA-N 0 1 503.606 2.869 50 0 KFAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 ZINC000002709317 552160739 /nfs/dbraw/zinc/16/07/39/552160739.db2.gz GSYGPBIGRFBPHE-UHFFFAOYSA-N 0 1 501.590 2.623 50 0 KFAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2=O)cc1OC ZINC000002712631 552160996 /nfs/dbraw/zinc/16/09/96/552160996.db2.gz BHNPERQYPCIAMG-UHFFFAOYSA-N 0 1 512.573 2.962 50 0 KFAAMN COc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000002840451 552198416 /nfs/dbraw/zinc/19/84/16/552198416.db2.gz XSHGWEFDFVILTE-UHFFFAOYSA-N 0 1 501.590 2.795 50 0 KFAAMN CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)nnc1-c1ccncc1 ZINC000002840851 552198748 /nfs/dbraw/zinc/19/87/48/552198748.db2.gz DMTRSHZEZMJCOX-UHFFFAOYSA-N 0 1 510.605 2.990 50 0 KFAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002851873 552201396 /nfs/dbraw/zinc/20/13/96/552201396.db2.gz POTZNBDUKDHKQC-UHFFFAOYSA-N 0 1 512.617 2.521 50 0 KFAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000002858384 552202962 /nfs/dbraw/zinc/20/29/62/552202962.db2.gz ILQGEYPTUPSIMY-UHFFFAOYSA-N 0 1 553.091 2.634 50 0 KFAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(C)c(C)c1 ZINC000002863464 552204697 /nfs/dbraw/zinc/20/46/97/552204697.db2.gz OKIYOMJFFZQWRN-DEOSSOPVSA-N 0 1 511.460 2.731 50 0 KFAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(C)c(C)c1 ZINC000002863465 552204628 /nfs/dbraw/zinc/20/46/28/552204628.db2.gz OKIYOMJFFZQWRN-XMMPIXPASA-N 0 1 511.460 2.731 50 0 KFAAMN O=C(NCCN1CCc2ccccc2C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000002923610 552222145 /nfs/dbraw/zinc/22/21/45/552222145.db2.gz YYXGMRLXVDXNGY-UHFFFAOYSA-N 0 1 508.644 2.881 50 0 KFAAMN NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC000002975790 552247797 /nfs/dbraw/zinc/24/77/97/552247797.db2.gz KDLSFPBOHDGNRA-UHFFFAOYSA-N 0 1 500.646 2.872 50 0 KFAAMN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000003018952 552262682 /nfs/dbraw/zinc/26/26/82/552262682.db2.gz VIZNDQBBRIRFIM-UHFFFAOYSA-N 0 1 533.682 2.603 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)n1 ZINC000003180333 552300390 /nfs/dbraw/zinc/30/03/90/552300390.db2.gz FACUBADMUNACDJ-UHFFFAOYSA-N 0 1 535.673 2.995 50 0 KFAAMN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000003336499 552361316 /nfs/dbraw/zinc/36/13/16/552361316.db2.gz GFDJAHPHSNJPIU-UHFFFAOYSA-N 0 1 503.606 2.510 50 0 KFAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000003391413 552379576 /nfs/dbraw/zinc/37/95/76/552379576.db2.gz UDLSEPKPEDQCPC-UHFFFAOYSA-N 0 1 508.025 2.759 50 0 KFAAMN CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC000003948213 552423462 /nfs/dbraw/zinc/42/34/62/552423462.db2.gz GULVVTHHUIIMRL-WUFINQPMSA-N 0 1 559.711 2.956 50 0 in-vitro KFAAMN Cc1ccc(S(=O)(=O)N(C)C(=O)NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000004417453 552459820 /nfs/dbraw/zinc/45/98/20/552459820.db2.gz GSLLPPLPVVBCLK-UHFFFAOYSA-N 0 1 532.604 2.765 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)n1 ZINC000004642532 552470335 /nfs/dbraw/zinc/47/03/35/552470335.db2.gz KWZCBRQTRBKUHH-RTBURBONSA-N 0 1 559.670 2.944 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC000004642533 552470408 /nfs/dbraw/zinc/47/04/08/552470408.db2.gz KWZCBRQTRBKUHH-OALUTQOASA-N 0 1 559.670 2.944 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761875 552478242 /nfs/dbraw/zinc/47/82/42/552478242.db2.gz CJUDQZMSWZKQSK-XMMPIXPASA-N 0 1 555.676 2.971 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761879 552478284 /nfs/dbraw/zinc/47/82/84/552478284.db2.gz CJUDQZMSWZKQSK-DEOSSOPVSA-N 0 1 555.676 2.971 50 0 KFAAMN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)cc1 ZINC000004766618 552480591 /nfs/dbraw/zinc/48/05/91/552480591.db2.gz NEYYDGWDYTYEER-UHFFFAOYSA-N 0 1 545.615 2.828 50 0 KFAAMN O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000004790156 552483420 /nfs/dbraw/zinc/48/34/20/552483420.db2.gz QSQLEPUMAXISPJ-UHFFFAOYSA-N 0 1 501.990 2.591 50 0 KFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000006093117 552533825 /nfs/dbraw/zinc/53/38/25/552533825.db2.gz HFHNIYNEPBSEFD-UHFFFAOYSA-N 0 1 514.523 2.721 50 0 KFAAMN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000006144778 552547283 /nfs/dbraw/zinc/54/72/83/552547283.db2.gz URDBFIIDDHSQGR-CQSZACIVSA-N 0 1 540.554 2.817 50 0 KFAAMN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000006144779 552547353 /nfs/dbraw/zinc/54/73/53/552547353.db2.gz URDBFIIDDHSQGR-AWEZNQCLSA-N 0 1 540.554 2.817 50 0 KFAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)n1 ZINC000006156043 552552329 /nfs/dbraw/zinc/55/23/29/552552329.db2.gz ZMBOWTQMSVCZKU-QZTJIDSGSA-N 0 1 545.643 2.636 50 0 KFAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC000006156044 552552472 /nfs/dbraw/zinc/55/24/72/552552472.db2.gz ZMBOWTQMSVCZKU-ROUUACIJSA-N 0 1 545.643 2.636 50 0 KFAAMN CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O ZINC000006181050 552561176 /nfs/dbraw/zinc/56/11/76/552561176.db2.gz 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/nfs/dbraw/zinc/39/86/32/553398632.db2.gz DLWTZBITPOXGKR-NSHDSACASA-N 0 1 517.101 2.602 50 0 KFAAMN COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012586607 553399641 /nfs/dbraw/zinc/39/96/41/553399641.db2.gz ZLHVFVGUPCFBLT-UHFFFAOYSA-N 0 1 503.558 2.760 50 0 KFAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2)cc1Cl ZINC000012599514 553400840 /nfs/dbraw/zinc/40/08/40/553400840.db2.gz GMFLEMKYMORRBK-HNNXBMFYSA-N 0 1 512.968 2.610 50 0 KFAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)cc1Cl ZINC000012599517 553400854 /nfs/dbraw/zinc/40/08/54/553400854.db2.gz GMFLEMKYMORRBK-OAHLLOKOSA-N 0 1 512.968 2.610 50 0 KFAAMN Cc1c(NS(=O)(=O)c2cccc(NC(=O)CCNCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C ZINC000012625575 553405013 /nfs/dbraw/zinc/40/50/13/553405013.db2.gz LVRHSNHZRQJSIO-UHFFFAOYSA-N 0 1 509.588 2.997 50 0 KFAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012625689 553404966 /nfs/dbraw/zinc/40/49/66/553404966.db2.gz CFGSOCJHQYYJDU-UHFFFAOYSA-N 0 1 519.439 2.978 50 0 KFAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1 ZINC000012635013 553406567 /nfs/dbraw/zinc/40/65/67/553406567.db2.gz NROQSYUWGYYRGJ-UHFFFAOYSA-N 0 1 508.641 2.851 50 0 KFAAMN CCCN(C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012903989 553426922 /nfs/dbraw/zinc/42/69/22/553426922.db2.gz JTRLANJSJRSBHF-UHFFFAOYSA-N 0 1 505.604 2.796 50 0 KFAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1Cl ZINC000012931757 553427684 /nfs/dbraw/zinc/42/76/84/553427684.db2.gz AKCNURSHJITVPI-UHFFFAOYSA-N 0 1 512.028 2.919 50 0 KFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013026716 553436339 /nfs/dbraw/zinc/43/63/39/553436339.db2.gz VUFSXVXUBFODJJ-UHFFFAOYSA-N 0 1 513.557 2.601 50 0 KFAAMN COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000013129859 553450979 /nfs/dbraw/zinc/45/09/79/553450979.db2.gz BALYITBDQNMYNW-UHFFFAOYSA-N 0 1 509.537 2.543 50 0 KFAAMN COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013141208 553454380 /nfs/dbraw/zinc/45/43/80/553454380.db2.gz IQQDDYFOWLNWKS-UHFFFAOYSA-N 0 1 514.947 2.791 50 0 KFAAMN COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000013146147 553455132 /nfs/dbraw/zinc/45/51/32/553455132.db2.gz URASHEDMHKHLGE-JBOJMBJVSA-N 0 1 529.659 2.691 50 0 KFAAMN COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000013146148 553455120 /nfs/dbraw/zinc/45/51/20/553455120.db2.gz URASHEDMHKHLGE-XDQZKXAQSA-N 0 1 529.659 2.691 50 0 KFAAMN CN1CCN(c2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c3nonc32)CC1 ZINC000013328489 553458638 /nfs/dbraw/zinc/45/86/38/553458638.db2.gz ZXFZFXCKVBLFPN-UHFFFAOYSA-N 0 1 513.601 2.559 50 0 KFAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cc1 ZINC000013525059 553468745 /nfs/dbraw/zinc/46/87/45/553468745.db2.gz QISGPFNBOQWZFF-UHFFFAOYSA-N 0 1 525.649 2.753 50 0 KFAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013591689 553477009 /nfs/dbraw/zinc/47/70/09/553477009.db2.gz QKLUCXMJAOUBOR-ZCCCYRDXSA-N 0 1 504.974 2.963 50 0 KFAAMN CC[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C[C@@H](O)CN(CCc1ccccc1)S(=O)(=O)[O-] ZINC000013739550 553487304 /nfs/dbraw/zinc/48/73/04/553487304.db2.gz HJVDSESDCWSWKY-DNQXCXABSA-N 0 1 508.681 2.754 50 0 KFAAMN O=C1NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl ZINC000013811673 553492699 /nfs/dbraw/zinc/49/26/99/553492699.db2.gz ZQLAGGCXZCOZRF-BCHFMIIMSA-N 0 1 505.962 2.918 50 0 KFAAMN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(c4nc5ccccc5o4)CC3)CC2)cc1 ZINC000014117230 553500892 /nfs/dbraw/zinc/50/08/92/553500892.db2.gz WANLQEWWJFLGFY-UHFFFAOYSA-N 0 1 512.632 2.939 50 0 KFAAMN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2cc(-c3ccsc3)[nH]n2)CC(=O)N(CCc2ccccc2)C1 ZINC000014741950 1059761642 /nfs/dbraw/zinc/76/16/42/1059761642.db2.gz ZOVPWHSOSCPYLI-JOCHJYFZSA-N 0 1 523.659 2.919 50 0 KFAAMN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cc(-c3ccsc3)[nH]n2)CC(=O)N(CCc2ccccc2)C1 ZINC000014741951 1059761519 /nfs/dbraw/zinc/76/15/19/1059761519.db2.gz ZOVPWHSOSCPYLI-QFIPXVFZSA-N 0 1 523.659 2.919 50 0 KFAAMN COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN([C@@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O ZINC000014880667 553521096 /nfs/dbraw/zinc/52/10/96/553521096.db2.gz IKEIHOIPQMYZPH-RUZDIDTESA-N 0 1 530.669 2.847 50 0 KFAAMN COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN([C@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O ZINC000014880670 553521080 /nfs/dbraw/zinc/52/10/80/553521080.db2.gz IKEIHOIPQMYZPH-VWLOTQADSA-N 0 1 530.669 2.847 50 0 KFAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000014944165 553521905 /nfs/dbraw/zinc/52/19/05/553521905.db2.gz SIHWJLLANVMQEL-IQPSUQMJSA-N 0 1 509.562 2.812 50 0 KFAAMN COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3cc(C)ccc3C)C2)nn1 ZINC000014985969 1059762226 /nfs/dbraw/zinc/76/22/26/1059762226.db2.gz VROWEQXSEDCFQS-AHWVRZQESA-N 0 1 520.609 2.985 50 0 KFAAMN COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(C)cc3C)C2)nn1 ZINC000014997362 1059762462 /nfs/dbraw/zinc/76/24/62/1059762462.db2.gz LQBFJNNRZZSRAX-AHWVRZQESA-N 0 1 520.609 2.985 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015276746 553530482 /nfs/dbraw/zinc/53/04/82/553530482.db2.gz HNCICGFNJFYBRP-IQPSUQMJSA-N 0 1 516.642 2.916 50 0 KFAAMN COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C)c(C)c1C ZINC000015721610 553534686 /nfs/dbraw/zinc/53/46/86/553534686.db2.gz CCQFOFXVPZPGDN-INIZCTEOSA-N 0 1 500.618 2.523 50 0 KFAAMN CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)c(=O)c2cc1OCC ZINC000015936781 553543071 /nfs/dbraw/zinc/54/30/71/553543071.db2.gz DBDNXLOVXNUXRP-UHFFFAOYSA-N 0 1 526.659 2.983 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959053 553546571 /nfs/dbraw/zinc/54/65/71/553546571.db2.gz NQXYXVAEXIDYNG-QBMQIYCRSA-N 0 1 514.969 2.915 50 0 biogenic KFAAMN Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968795 553547410 /nfs/dbraw/zinc/54/74/10/553547410.db2.gz LIAUUERUCMHZKT-CVRJGYJLSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968797 553547370 /nfs/dbraw/zinc/54/73/70/553547370.db2.gz LIAUUERUCMHZKT-PXMCIRSJSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968799 553547302 /nfs/dbraw/zinc/54/73/02/553547302.db2.gz LIAUUERUCMHZKT-XOSJJEKJSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015968801 553547349 /nfs/dbraw/zinc/54/73/49/553547349.db2.gz LIAUUERUCMHZKT-KMGQHQDOSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969363 553547338 /nfs/dbraw/zinc/54/73/38/553547338.db2.gz UBEYPJWMLZAJLZ-ZUWWUPDZSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969365 553547267 /nfs/dbraw/zinc/54/72/67/553547267.db2.gz UBEYPJWMLZAJLZ-WENIATCFSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969366 553547308 /nfs/dbraw/zinc/54/73/08/553547308.db2.gz UBEYPJWMLZAJLZ-ZFASCNIYSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN Cc1cccc2c1NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969368 553547406 /nfs/dbraw/zinc/54/74/06/553547406.db2.gz UBEYPJWMLZAJLZ-VXVLLVOOSA-N 0 1 511.534 2.593 50 0 biogenic KFAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971531 553547590 /nfs/dbraw/zinc/54/75/90/553547590.db2.gz DRZILLRKJDQDCB-UQBRPQJYSA-N 0 1 504.974 2.963 50 0 KFAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971534 553547600 /nfs/dbraw/zinc/54/76/00/553547600.db2.gz DRZILLRKJDQDCB-SARUBHRKSA-N 0 1 504.974 2.963 50 0 KFAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971644 553547544 /nfs/dbraw/zinc/54/75/44/553547544.db2.gz QKLUCXMJAOUBOR-OORKQQFGSA-N 0 1 504.974 2.963 50 0 KFAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015971648 553547566 /nfs/dbraw/zinc/54/75/66/553547566.db2.gz QKLUCXMJAOUBOR-OKHYVKGCSA-N 0 1 504.974 2.963 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009806 553550462 /nfs/dbraw/zinc/55/04/62/553550462.db2.gz OKVIFIZETMQGRF-FFUSMKSVSA-N 0 1 502.958 2.992 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009807 553550531 /nfs/dbraw/zinc/55/05/31/553550531.db2.gz OKVIFIZETMQGRF-JZBASNBKSA-N 0 1 502.958 2.992 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009808 553550513 /nfs/dbraw/zinc/55/05/13/553550513.db2.gz OKVIFIZETMQGRF-YUGFUXRRSA-N 0 1 502.958 2.992 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]31)C(=O)N2 ZINC000016009809 553550480 /nfs/dbraw/zinc/55/04/80/553550480.db2.gz OKVIFIZETMQGRF-JXPGZLFOSA-N 0 1 502.958 2.992 50 0 KFAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000016010288 553550721 /nfs/dbraw/zinc/55/07/21/553550721.db2.gz RCYUEQQSQCSCIV-XCLQVSSVSA-N 0 1 506.868 2.549 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010392 553550697 /nfs/dbraw/zinc/55/06/97/553550697.db2.gz OPQHQZAYMBZLGC-XQNUDUSMSA-N 0 1 505.333 2.631 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010393 553550701 /nfs/dbraw/zinc/55/07/01/553550701.db2.gz OPQHQZAYMBZLGC-XITLKHQFSA-N 0 1 505.333 2.631 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010394 553550617 /nfs/dbraw/zinc/55/06/17/553550617.db2.gz OPQHQZAYMBZLGC-SAQZZPNQSA-N 0 1 505.333 2.631 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016010395 553550690 /nfs/dbraw/zinc/55/06/90/553550690.db2.gz OPQHQZAYMBZLGC-VGHKVXAASA-N 0 1 505.333 2.631 50 0 KFAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)N[C@@]32c3ccccc3NC2=O)cc1OC ZINC000016032891 553551629 /nfs/dbraw/zinc/55/16/29/553551629.db2.gz FJQUVEKSRKZKKH-QXQHHZKDSA-N 0 1 511.578 2.910 50 0 biogenic KFAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016033886 553551732 /nfs/dbraw/zinc/55/17/32/553551732.db2.gz HBPDCJCYTCWGJM-DFIMXKNXSA-N 0 1 515.497 2.624 50 0 KFAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016033887 553551739 /nfs/dbraw/zinc/55/17/39/553551739.db2.gz HBPDCJCYTCWGJM-IMBSWCNGSA-N 0 1 515.497 2.624 50 0 KFAAMN O=C1NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl ZINC000016975324 553585851 /nfs/dbraw/zinc/58/58/51/553585851.db2.gz ZQLAGGCXZCOZRF-NIYFSFCBSA-N 0 1 505.962 2.918 50 0 KFAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1 ZINC000017012752 553586233 /nfs/dbraw/zinc/58/62/33/553586233.db2.gz JJUADLSRXFURKM-UHFFFAOYSA-N 0 1 513.405 2.501 50 0 KFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccn(OCc2cccc(Cl)c2)c1=O ZINC000017149961 553589329 /nfs/dbraw/zinc/58/93/29/553589329.db2.gz FWHPPZVLVKTXAJ-UHFFFAOYSA-N 0 1 511.947 2.974 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC000017413757 553595458 /nfs/dbraw/zinc/59/54/58/553595458.db2.gz KWZCBRQTRBKUHH-KDURUIRLSA-N 0 1 559.670 2.944 50 0 KFAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC000018120002 553604975 /nfs/dbraw/zinc/60/49/75/553604975.db2.gz ZMBOWTQMSVCZKU-HDICACEKSA-N 0 1 545.643 2.636 50 0 KFAAMN COc1ccc(CCNC(=O)c2c(N)n(CCCN3CCOCC3)c3nc4ccccc4nc32)cc1OC ZINC000019892025 553630369 /nfs/dbraw/zinc/63/03/69/553630369.db2.gz DFLNBVINZFRYEA-UHFFFAOYSA-N 0 1 518.618 2.879 50 0 KFAAMN COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923652 553633822 /nfs/dbraw/zinc/63/38/22/553633822.db2.gz LPTCPUXFVDNFRI-DFHRPNOPSA-N 0 1 505.523 2.527 50 0 KFAAMN COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923654 553633652 /nfs/dbraw/zinc/63/36/52/553633652.db2.gz LPTCPUXFVDNFRI-SKCUWOTOSA-N 0 1 505.523 2.527 50 0 KFAAMN COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923655 553633729 /nfs/dbraw/zinc/63/37/29/553633729.db2.gz LPTCPUXFVDNFRI-DWACAAAGSA-N 0 1 505.523 2.527 50 0 KFAAMN COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC ZINC000019923657 553633707 /nfs/dbraw/zinc/63/37/07/553633707.db2.gz LPTCPUXFVDNFRI-RBISFHTESA-N 0 1 505.523 2.527 50 0 KFAAMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000020101049 553686786 /nfs/dbraw/zinc/68/67/86/553686786.db2.gz ZINAETCSVXPFAU-MHZLTWQESA-N 0 1 525.653 2.749 50 0 KFAAMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000020101051 553686723 /nfs/dbraw/zinc/68/67/23/553686723.db2.gz ZINAETCSVXPFAU-HHHXNRCGSA-N 0 1 525.653 2.749 50 0 KFAAMN CCOC(=O)N1CCC(NC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)CC1 ZINC000020104986 553689429 /nfs/dbraw/zinc/68/94/29/553689429.db2.gz PFIGJTLVYACKQU-UHFFFAOYSA-N 0 1 510.639 2.751 50 0 KFAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000020107932 553690883 /nfs/dbraw/zinc/69/08/83/553690883.db2.gz NGVJDAVWBXVOHG-HSZRJFAPSA-N 0 1 513.639 2.803 50 0 KFAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000020107934 553690950 /nfs/dbraw/zinc/69/09/50/553690950.db2.gz NGVJDAVWBXVOHG-QHCPKHFHSA-N 0 1 513.639 2.803 50 0 KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3cccs3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000020111288 553693772 /nfs/dbraw/zinc/69/37/72/553693772.db2.gz RQCUDQDTJPDZIU-GGJMMHKRSA-N 0 1 516.623 2.837 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3cccs3)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000020111290 553693797 /nfs/dbraw/zinc/69/37/97/553693797.db2.gz RQCUDQDTJPDZIU-PHVLTXCSSA-N 0 1 516.623 2.837 50 0 biogenic KFAAMN COc1ccc(CC2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1 ZINC000020112863 553694781 /nfs/dbraw/zinc/69/47/81/553694781.db2.gz LEIMFVQXZBMINP-KRWDZBQOSA-N 0 1 525.602 2.920 50 0 biogenic KFAAMN COc1ccc(CC2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000020112939 553694867 /nfs/dbraw/zinc/69/48/67/553694867.db2.gz CAKBSYKCLKGCOG-KRWDZBQOSA-N 0 1 525.602 2.920 50 0 biogenic KFAAMN CN1C(=O)N(C)C(=O)C(Cc2c(Cl)cccc2Cl)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000020112949 553694793 /nfs/dbraw/zinc/69/47/93/553694793.db2.gz HSWLJIAFHIOTFA-JKSUJKDBSA-N 0 1 517.413 2.854 50 0 biogenic KFAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000020114964 553696013 /nfs/dbraw/zinc/69/60/13/553696013.db2.gz KISWCPWSLSHRLK-DEOSSOPVSA-N 0 1 525.675 2.672 50 0 KFAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000020114966 553696033 /nfs/dbraw/zinc/69/60/33/553696033.db2.gz KISWCPWSLSHRLK-XMMPIXPASA-N 0 1 525.675 2.672 50 0 KFAAMN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020114968 553696322 /nfs/dbraw/zinc/69/63/22/553696322.db2.gz AVVJSQWPUVGZRA-XMMPIXPASA-N 0 1 525.675 2.672 50 0 KFAAMN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020114970 553696335 /nfs/dbraw/zinc/69/63/35/553696335.db2.gz AVVJSQWPUVGZRA-DEOSSOPVSA-N 0 1 525.675 2.672 50 0 KFAAMN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020114980 553696359 /nfs/dbraw/zinc/69/63/59/553696359.db2.gz SGNCCBUXLISCRV-HSZRJFAPSA-N 0 1 513.639 2.803 50 0 KFAAMN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020114982 553696400 /nfs/dbraw/zinc/69/64/00/553696400.db2.gz SGNCCBUXLISCRV-QHCPKHFHSA-N 0 1 513.639 2.803 50 0 KFAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000020115000 553696308 /nfs/dbraw/zinc/69/63/08/553696308.db2.gz PMTJZBUIEGECBA-DEOSSOPVSA-N 0 1 509.676 2.972 50 0 KFAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000020115002 553696314 /nfs/dbraw/zinc/69/63/14/553696314.db2.gz PMTJZBUIEGECBA-XMMPIXPASA-N 0 1 509.676 2.972 50 0 KFAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCN3CCN(C)CC3)C2=S)cc1Cl ZINC000020115008 553696390 /nfs/dbraw/zinc/69/63/90/553696390.db2.gz YMJKRMSBQSECRR-OAQYLSRUSA-N 0 1 516.067 2.927 50 0 KFAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCN3CCN(C)CC3)C2=S)cc1Cl ZINC000020115010 553696268 /nfs/dbraw/zinc/69/62/68/553696268.db2.gz YMJKRMSBQSECRR-NRFANRHFSA-N 0 1 516.067 2.927 50 0 KFAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115144 553696585 /nfs/dbraw/zinc/69/65/85/553696585.db2.gz JNFLCFVHDNCNFG-DEOSSOPVSA-N 0 1 525.675 2.672 50 0 KFAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115146 553696660 /nfs/dbraw/zinc/69/66/60/553696660.db2.gz JNFLCFVHDNCNFG-XMMPIXPASA-N 0 1 525.675 2.672 50 0 KFAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115149 553696640 /nfs/dbraw/zinc/69/66/40/553696640.db2.gz BURCQCXDQAIDTI-DEOSSOPVSA-N 0 1 509.676 2.972 50 0 KFAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115151 553696592 /nfs/dbraw/zinc/69/65/92/553696592.db2.gz BURCQCXDQAIDTI-XMMPIXPASA-N 0 1 509.676 2.972 50 0 KFAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115153 553696545 /nfs/dbraw/zinc/69/65/45/553696545.db2.gz OWYZHZVPZBXBSP-QHCPKHFHSA-N 0 1 513.639 2.803 50 0 KFAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115155 553696688 /nfs/dbraw/zinc/69/66/88/553696688.db2.gz OWYZHZVPZBXBSP-HSZRJFAPSA-N 0 1 513.639 2.803 50 0 KFAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115180 553696850 /nfs/dbraw/zinc/69/68/50/553696850.db2.gz RSHBBLWDKPHVEE-DEOSSOPVSA-N 0 1 525.675 2.672 50 0 KFAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(C)CC2)cc1 ZINC000020115182 553696830 /nfs/dbraw/zinc/69/68/30/553696830.db2.gz RSHBBLWDKPHVEE-XMMPIXPASA-N 0 1 525.675 2.672 50 0 KFAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020115187 553696909 /nfs/dbraw/zinc/69/69/09/553696909.db2.gz XUWSBUCHXYQOLB-JOCHJYFZSA-N 0 1 516.067 2.927 50 0 KFAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000020115189 553696923 /nfs/dbraw/zinc/69/69/23/553696923.db2.gz XUWSBUCHXYQOLB-QFIPXVFZSA-N 0 1 516.067 2.927 50 0 KFAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NC[C@@H]3COc4ccccc4O3)cc12 ZINC000020136234 553593795 /nfs/dbraw/zinc/59/37/95/553593795.db2.gz AAAFXWRDTBPZSH-OAQYLSRUSA-N 0 1 503.603 2.970 50 0 KFAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NC[C@H]3COc4ccccc4O3)cc12 ZINC000020136240 553593959 /nfs/dbraw/zinc/59/39/59/553593959.db2.gz AAAFXWRDTBPZSH-NRFANRHFSA-N 0 1 503.603 2.970 50 0 KFAAMN COc1cc(Cc2nnc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)o2)cc(OC)c1OC ZINC000020177306 553602646 /nfs/dbraw/zinc/60/26/46/553602646.db2.gz ALTHZMYJTBKZQF-UHFFFAOYSA-N 0 1 509.607 2.624 50 0 KFAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020211547 553610879 /nfs/dbraw/zinc/61/08/79/553610879.db2.gz LGZORRVCPCSQCO-UHFFFAOYSA-N 0 1 521.687 2.570 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)nn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214716 553613232 /nfs/dbraw/zinc/61/32/32/553613232.db2.gz MCHTXRJAHSNWNB-HSZRJFAPSA-N 0 1 515.014 2.911 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3ccc(Cl)nn3)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214719 553613298 /nfs/dbraw/zinc/61/32/98/553613298.db2.gz MCHTXRJAHSNWNB-QHCPKHFHSA-N 0 1 515.014 2.911 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3cccc(OC)c3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283614 553631630 /nfs/dbraw/zinc/63/16/30/553631630.db2.gz HCHRXPYVJBAWHD-XMMPIXPASA-N 0 1 510.591 2.706 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3cccc(OC)c3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283616 553631682 /nfs/dbraw/zinc/63/16/82/553631682.db2.gz HCHRXPYVJBAWHD-DEOSSOPVSA-N 0 1 510.591 2.706 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3OC)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283845 553631866 /nfs/dbraw/zinc/63/18/66/553631866.db2.gz GKFRCIMSDUQHEC-XMMPIXPASA-N 0 1 510.591 2.706 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(c3ccccc3OC)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283848 553631904 /nfs/dbraw/zinc/63/19/04/553631904.db2.gz GKFRCIMSDUQHEC-DEOSSOPVSA-N 0 1 510.591 2.706 50 0 KFAAMN Cc1nc2c(c(C)c1CCC(=O)NCC1CCN(Cc3cccc(Cl)c3)CC1)c(=O)n(C)c(=O)n2C ZINC000020284109 553631947 /nfs/dbraw/zinc/63/19/47/553631947.db2.gz NEBIMWRPBRSVRY-UHFFFAOYSA-N 0 1 512.054 2.863 50 0 KFAAMN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(C2CCCC2)CC1 ZINC000020286514 553632413 /nfs/dbraw/zinc/63/24/13/553632413.db2.gz LJAVOBJVMINSLC-VWLOTQADSA-N 0 1 510.660 2.548 50 0 KFAAMN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(C2CCCC2)CC1 ZINC000020286519 553632438 /nfs/dbraw/zinc/63/24/38/553632438.db2.gz LJAVOBJVMINSLC-RUZDIDTESA-N 0 1 510.660 2.548 50 0 KFAAMN 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CCOCCOc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[n-]2)cc1OC ZINC000034766920 554002913 /nfs/dbraw/zinc/00/29/13/554002913.db2.gz JRMQBGAXKQHGFY-UHFFFAOYSA-N 0 1 521.618 2.945 50 0 KFAAMN COc1ccc(OC)c(CC(=O)N2CCc3n[nH]c(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3C2)c1 ZINC000034797397 554008826 /nfs/dbraw/zinc/00/88/26/554008826.db2.gz DTGUHVNOCMJDBA-UHFFFAOYSA-N 0 1 507.566 2.656 50 0 KFAAMN CC[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C[C@H](O)CN(CCc1ccccc1)S(=O)(=O)[O-] ZINC000034805107 554009187 /nfs/dbraw/zinc/00/91/87/554009187.db2.gz HJVDSESDCWSWKY-ZEQRLZLVSA-N 0 1 508.681 2.754 50 0 KFAAMN COc1ccc(OC)c(CC(=O)N2CCc3n[nH]c(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)c1 ZINC000034809697 554009349 /nfs/dbraw/zinc/00/93/49/554009349.db2.gz HIPPMRJNDMCMGO-UHFFFAOYSA-N 0 1 503.603 2.825 50 0 KFAAMN CCOC(=O)CCC(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034834592 554018796 /nfs/dbraw/zinc/01/87/96/554018796.db2.gz YCZAADOGDBODAG-UHFFFAOYSA-N 0 1 503.619 2.780 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@H](c3ccccc3)NC(=O)N4C)cc2)n1 ZINC000035326611 554043387 /nfs/dbraw/zinc/04/33/87/554043387.db2.gz OMVFTFUNQLVSMM-QFIPXVFZSA-N 0 1 504.572 2.891 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@@H](c3ccccc3)NC(=O)N4C)cc2)n1 ZINC000035326615 554043379 /nfs/dbraw/zinc/04/33/79/554043379.db2.gz OMVFTFUNQLVSMM-JOCHJYFZSA-N 0 1 504.572 2.891 50 0 KFAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000035511110 554057639 /nfs/dbraw/zinc/05/76/39/554057639.db2.gz MHEJYYAMHNTBMM-SFHVURJKSA-N 0 1 515.636 2.720 50 0 KFAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000035511111 554057568 /nfs/dbraw/zinc/05/75/68/554057568.db2.gz MHEJYYAMHNTBMM-GOSISDBHSA-N 0 1 515.636 2.720 50 0 KFAAMN CC[C@H](C(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926332 554099029 /nfs/dbraw/zinc/09/90/29/554099029.db2.gz GILKYJSVLSJEEB-MHZLTWQESA-N 0 1 514.674 2.930 50 0 KFAAMN CC[C@@H](C(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926333 554099093 /nfs/dbraw/zinc/09/90/93/554099093.db2.gz GILKYJSVLSJEEB-HHHXNRCGSA-N 0 1 514.674 2.930 50 0 KFAAMN O=C(c1cccc(Cl)c1)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926343 554099125 /nfs/dbraw/zinc/09/91/25/554099125.db2.gz ZZKZPCCAGKMTCD-UHFFFAOYSA-N 0 1 507.038 2.704 50 0 KFAAMN CC[NH+]1CCN(C2=C(c3c(COC)[n-]n(-c4ccc(Cl)cc4)c3=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000035960923 554108782 /nfs/dbraw/zinc/10/87/82/554108782.db2.gz TUGAUTLHJPNYLK-UHFFFAOYSA-N 0 1 502.015 2.751 50 0 KFAAMN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CCOCC3)c(O)c2c1 ZINC000035973841 554114862 /nfs/dbraw/zinc/11/48/62/554114862.db2.gz DHKRJYDTIROBHL-UHFFFAOYSA-N 0 1 563.474 2.568 50 0 KFAAMN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000036016265 554135786 /nfs/dbraw/zinc/13/57/86/554135786.db2.gz CCCSDRFVNAQYBV-UHFFFAOYSA-N 0 1 521.961 2.800 50 0 KFAAMN O[C@@H](Cc1ccccc1)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249776 554210124 /nfs/dbraw/zinc/21/01/24/554210124.db2.gz XHFYKLOZENYMII-SANMLTNESA-N 0 1 506.647 2.916 50 0 KFAAMN O[C@H](Cc1ccccc1)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249777 554210098 /nfs/dbraw/zinc/21/00/98/554210098.db2.gz XHFYKLOZENYMII-AREMUKBSSA-N 0 1 506.647 2.916 50 0 KFAAMN COCCN1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000037357639 554234771 /nfs/dbraw/zinc/23/47/71/554234771.db2.gz XFKUSZQXDPXVFH-UHFFFAOYSA-N 0 1 507.570 2.989 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000038139413 554260343 /nfs/dbraw/zinc/26/03/43/554260343.db2.gz FHLPOAYUGKCAEE-LJQANCHMSA-N 0 1 537.082 2.909 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000038139414 554260473 /nfs/dbraw/zinc/26/04/73/554260473.db2.gz FHLPOAYUGKCAEE-IBGZPJMESA-N 0 1 537.082 2.909 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000038139737 554261198 /nfs/dbraw/zinc/26/11/98/554261198.db2.gz NOCXDAXQPPVTAZ-LJQANCHMSA-N 0 1 537.082 2.909 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000038139739 554261182 /nfs/dbraw/zinc/26/11/82/554261182.db2.gz NOCXDAXQPPVTAZ-IBGZPJMESA-N 0 1 537.082 2.909 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2cccc(OC)c2OC)CC1 ZINC000038140300 554262908 /nfs/dbraw/zinc/26/29/08/554262908.db2.gz OONQZXYQXLCQFH-DHZHZOJOSA-N 0 1 544.674 2.519 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)cc2OC)CC1 ZINC000038140434 554263670 /nfs/dbraw/zinc/26/36/70/554263670.db2.gz ANVSBTBGCLEXLC-UXBLZVDNSA-N 0 1 544.674 2.519 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000038140767 554264150 /nfs/dbraw/zinc/26/41/50/554264150.db2.gz YSXIVJQZZJLGBE-UHFFFAOYSA-N 0 1 541.045 2.659 50 0 KFAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1 ZINC000038145209 554267425 /nfs/dbraw/zinc/26/74/25/554267425.db2.gz REVTWROJVJWDRF-UHFFFAOYSA-N 0 1 574.681 2.835 50 0 KFAAMN COc1ccc(-c2n[nH]c(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2)cc1 ZINC000038152218 554272353 /nfs/dbraw/zinc/27/23/53/554272353.db2.gz HHODFOMHWDNAPW-UHFFFAOYSA-N 0 1 535.630 2.742 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 ZINC000038152219 554272276 /nfs/dbraw/zinc/27/22/76/554272276.db2.gz MTMHATJGRQTGGE-UXBLZVDNSA-N 0 1 544.674 2.519 50 0 KFAAMN COC(=O)c1cc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc(C(=O)OC)c1 ZINC000040450135 554284945 /nfs/dbraw/zinc/28/49/45/554284945.db2.gz XTKQJVIGBXJYTK-UHFFFAOYSA-N 0 1 511.350 2.732 50 0 KFAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CCCCCC3)cc21 ZINC000040450833 554285962 /nfs/dbraw/zinc/28/59/62/554285962.db2.gz BYEMRRRYROQYMK-UHFFFAOYSA-N 0 1 514.486 2.904 50 0 KFAAMN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[nH]2)cc1 ZINC000045922064 554314504 /nfs/dbraw/zinc/31/45/04/554314504.db2.gz QJVYZAGCBWYABV-UHFFFAOYSA-N 0 1 500.602 2.942 50 0 KFAAMN COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)cc(OC)c1OC ZINC000045987622 554317289 /nfs/dbraw/zinc/31/72/89/554317289.db2.gz XXIRLLIKXLKPEQ-UHFFFAOYSA-N 0 1 519.601 2.976 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(=O)[nH]2)cc1 ZINC000046016407 554318774 /nfs/dbraw/zinc/31/87/74/554318774.db2.gz HYLQQQLBVQWOCG-UHFFFAOYSA-N 0 1 503.558 2.519 50 0 KFAAMN CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1 ZINC000046016412 554318693 /nfs/dbraw/zinc/31/86/93/554318693.db2.gz DGBQULARAUCLRG-UHFFFAOYSA-N 0 1 505.574 2.749 50 0 KFAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c2=O)cc1OC ZINC000046016418 554318666 /nfs/dbraw/zinc/31/86/66/554318666.db2.gz JTDKQMKLWZPYIC-UHFFFAOYSA-N 0 1 509.993 2.682 50 0 KFAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)cc1 ZINC000046016431 554319060 /nfs/dbraw/zinc/31/90/60/554319060.db2.gz YHLPSRRCBHCDDV-UHFFFAOYSA-N 0 1 516.620 2.745 50 0 KFAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1 ZINC000046016433 554319025 /nfs/dbraw/zinc/31/90/25/554319025.db2.gz CTTZQQYPOYLCJS-UHFFFAOYSA-N 0 1 516.620 2.745 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c2=O)cc1 ZINC000046016438 554319189 /nfs/dbraw/zinc/31/91/89/554319189.db2.gz UJVKEWMDMPVPMA-UHFFFAOYSA-N 0 1 505.574 2.749 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OCC)cc3)c(=O)[nH]2)cc1 ZINC000046016440 554319094 /nfs/dbraw/zinc/31/90/94/554319094.db2.gz SPVDLBPPAVDBPI-UHFFFAOYSA-N 0 1 517.585 2.909 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c2=O)cc1 ZINC000046016442 554319166 /nfs/dbraw/zinc/31/91/66/554319166.db2.gz VZPJOACUPMOAFU-UHFFFAOYSA-N 0 1 505.574 2.749 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OC)[nH]c2=O)cc1 ZINC000046016444 554319084 /nfs/dbraw/zinc/31/90/84/554319084.db2.gz HOGIYVUUDOWZCV-UHFFFAOYSA-N 0 1 503.558 2.519 50 0 KFAAMN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)[nH]1 ZINC000046016448 554319131 /nfs/dbraw/zinc/31/91/31/554319131.db2.gz KHTXTFZXVUOELA-UHFFFAOYSA-N 0 1 517.585 2.909 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]c2=O)cc1 ZINC000046016452 554319196 /nfs/dbraw/zinc/31/91/96/554319196.db2.gz DHEYVGYGAJOARZ-UHFFFAOYSA-N 0 1 505.574 2.749 50 0 KFAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3ccccc3Br)c2c(=O)n(C)c1=O ZINC000055556867 554350982 /nfs/dbraw/zinc/35/09/82/554350982.db2.gz IWAYNVOEECVYJJ-UHFFFAOYSA-N 0 1 523.435 2.567 50 0 biogenic KFAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000056992068 554351624 /nfs/dbraw/zinc/35/16/24/554351624.db2.gz UJXWTFSMNLPURO-UHFFFAOYSA-N 0 1 517.615 2.679 50 0 KFAAMN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000059514501 554401531 /nfs/dbraw/zinc/40/15/31/554401531.db2.gz IFUKHBRVKQXRLU-JOCHJYFZSA-N 0 1 551.713 2.639 50 0 KFAAMN C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000059514504 554401550 /nfs/dbraw/zinc/40/15/50/554401550.db2.gz IFUKHBRVKQXRLU-QFIPXVFZSA-N 0 1 551.713 2.639 50 0 KFAAMN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)CC1 ZINC000059522849 554404061 /nfs/dbraw/zinc/40/40/61/554404061.db2.gz PXBSREJTFTVGAT-UHFFFAOYSA-N 0 1 602.695 2.609 50 0 KFAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c1 ZINC000059617236 554413599 /nfs/dbraw/zinc/41/35/99/554413599.db2.gz WETALZMWQLFTAM-UHFFFAOYSA-N 0 1 548.643 2.756 50 0 KFAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000059620836 554414192 /nfs/dbraw/zinc/41/41/92/554414192.db2.gz OWFWOPWUEGJVFY-UHFFFAOYSA-N 0 1 548.643 2.756 50 0 KFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=S)N=NC3Cn3ncc4ccccc4c3=O)cc2)n1 ZINC000059627214 554415530 /nfs/dbraw/zinc/41/55/30/554415530.db2.gz DCEMCJRRJCGKGF-UHFFFAOYSA-N 0 1 520.600 2.522 50 0 KFAAMN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000060209257 554502986 /nfs/dbraw/zinc/50/29/86/554502986.db2.gz KEWMKMXMMUKSSX-UHFFFAOYSA-N 0 1 575.713 2.976 50 0 KFAAMN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(cccc4OC)s3)cc2)CC1 ZINC000060209375 554503028 /nfs/dbraw/zinc/50/30/28/554503028.db2.gz MBAVBESATASISS-UHFFFAOYSA-N 0 1 575.713 2.976 50 0 KFAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000063411291 554508590 /nfs/dbraw/zinc/50/85/90/554508590.db2.gz VWOSALSJRAXNAJ-UHFFFAOYSA-N 0 1 523.435 2.567 50 0 biogenic KFAAMN O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063708009 554510386 /nfs/dbraw/zinc/51/03/86/554510386.db2.gz CNQAWZOFBWETCU-OAQYLSRUSA-N 0 1 511.051 2.726 50 0 KFAAMN O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063708010 554510330 /nfs/dbraw/zinc/51/03/30/554510330.db2.gz CNQAWZOFBWETCU-NRFANRHFSA-N 0 1 511.051 2.726 50 0 KFAAMN CN1CCN(c2ccccc2NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000066259722 554529903 /nfs/dbraw/zinc/52/99/03/554529903.db2.gz XQIPAKMVWWONAW-JOCHJYFZSA-N 0 1 536.683 2.971 50 0 KFAAMN CN1CCN(c2ccccc2NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000066259723 554529880 /nfs/dbraw/zinc/52/98/80/554529880.db2.gz XQIPAKMVWWONAW-QFIPXVFZSA-N 0 1 536.683 2.971 50 0 KFAAMN Cn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337195 554530998 /nfs/dbraw/zinc/53/09/98/554530998.db2.gz SPHPPMABLXUWDY-UHFFFAOYSA-N 0 1 535.114 2.675 50 0 KFAAMN CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337399 554531332 /nfs/dbraw/zinc/53/13/32/554531332.db2.gz AUFATZISLOHWNM-UHFFFAOYSA-N 0 1 537.130 2.871 50 0 KFAAMN CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337656 554531626 /nfs/dbraw/zinc/53/16/26/554531626.db2.gz RPFUXLOYRYRJRL-UHFFFAOYSA-N 0 1 537.130 2.871 50 0 KFAAMN Cn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337739 554531619 /nfs/dbraw/zinc/53/16/19/554531619.db2.gz QJNOANURQPKKRQ-UHFFFAOYSA-N 0 1 535.114 2.675 50 0 KFAAMN CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337866 554531899 /nfs/dbraw/zinc/53/18/99/554531899.db2.gz YHNDKXQJFCXIKZ-UHFFFAOYSA-N 0 1 537.130 2.871 50 0 KFAAMN CCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067338060 554532221 /nfs/dbraw/zinc/53/22/21/554532221.db2.gz WTLLXEXBYBHYQE-UHFFFAOYSA-N 0 1 537.130 2.790 50 0 KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669782 553598597 /nfs/dbraw/zinc/59/85/97/553598597.db2.gz NTWGEIYDHYAVDJ-ICYRDHFCSA-N 0 1 570.602 2.517 50 0 biogenic KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669790 553598835 /nfs/dbraw/zinc/59/88/35/553598835.db2.gz HKHWVPSZKLHYNK-MVCRGFCOSA-N 0 1 616.671 2.814 50 0 biogenic KFAAMN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669791 553598826 /nfs/dbraw/zinc/59/88/26/553598826.db2.gz HKHWVPSZKLHYNK-JBRBIWQXSA-N 0 1 616.671 2.814 50 0 biogenic KFAAMN COc1ccccc1C[C@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000070669802 553598993 /nfs/dbraw/zinc/59/89/93/553598993.db2.gz HYQPARXNRKQMOW-WJFIMHFKSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000070669802 553598990 /nfs/dbraw/zinc/59/89/90/553598990.db2.gz HYQPARXNRKQMOW-WJFIMHFKSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccccc1C[C@@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000070669803 553598926 /nfs/dbraw/zinc/59/89/26/553598926.db2.gz HYQPARXNRKQMOW-VGNCIJBISA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000070669803 553598923 /nfs/dbraw/zinc/59/89/23/553598923.db2.gz HYQPARXNRKQMOW-VGNCIJBISA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000070669809 553598959 /nfs/dbraw/zinc/59/89/59/553598959.db2.gz VTWNVXCBJKJFPN-AFTQUYEPSA-N 0 1 556.619 2.797 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669815 553598848 /nfs/dbraw/zinc/59/88/48/553598848.db2.gz RZPXMDBIENOALU-GQMZVLBDSA-N 0 1 570.646 2.792 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669815 553598846 /nfs/dbraw/zinc/59/88/46/553598846.db2.gz RZPXMDBIENOALU-GQMZVLBDSA-N 0 1 570.646 2.792 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669816 553598822 /nfs/dbraw/zinc/59/88/22/553598822.db2.gz RZPXMDBIENOALU-QVVQTHAHSA-N 0 1 570.646 2.792 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000070669816 553598821 /nfs/dbraw/zinc/59/88/21/553598821.db2.gz RZPXMDBIENOALU-QVVQTHAHSA-N 0 1 570.646 2.792 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000070669817 553598798 /nfs/dbraw/zinc/59/87/98/553598798.db2.gz MJVOGIXNGXYBQI-QPPRZBLKSA-N 0 1 540.576 2.508 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000070669818 553598944 /nfs/dbraw/zinc/59/89/44/553598944.db2.gz MJVOGIXNGXYBQI-PHKGMDLESA-N 0 1 540.576 2.508 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669824 553598980 /nfs/dbraw/zinc/59/89/80/553598980.db2.gz GKDPYYRXPNPYPJ-UDKTZTBJSA-N 0 1 554.603 2.504 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669824 553598976 /nfs/dbraw/zinc/59/89/76/553598976.db2.gz GKDPYYRXPNPYPJ-UDKTZTBJSA-N 0 1 554.603 2.504 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669825 553598881 /nfs/dbraw/zinc/59/88/81/553598881.db2.gz GKDPYYRXPNPYPJ-IKBQMQIHSA-N 0 1 554.603 2.504 50 0 biogenic KFAAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070669825 553598879 /nfs/dbraw/zinc/59/88/79/553598879.db2.gz GKDPYYRXPNPYPJ-IKBQMQIHSA-N 0 1 554.603 2.504 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669826 553598860 /nfs/dbraw/zinc/59/88/60/553598860.db2.gz IXAGSFIVMXXDHV-XASJVRKQSA-N 0 1 556.619 2.797 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669827 553598886 /nfs/dbraw/zinc/59/88/86/553598886.db2.gz IXAGSFIVMXXDHV-ITOWZWGRSA-N 0 1 556.619 2.797 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669831 553598873 /nfs/dbraw/zinc/59/88/73/553598873.db2.gz HUTKOILPIRFWEJ-OXYPMYLPSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669831 553598872 /nfs/dbraw/zinc/59/88/72/553598872.db2.gz HUTKOILPIRFWEJ-OXYPMYLPSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669832 553598817 /nfs/dbraw/zinc/59/88/17/553598817.db2.gz HUTKOILPIRFWEJ-ULPIOCOXSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000070669832 553598816 /nfs/dbraw/zinc/59/88/16/553598816.db2.gz HUTKOILPIRFWEJ-ULPIOCOXSA-N 0 1 540.620 2.784 50 0 biogenic KFAAMN COc1cccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000070671658 553601086 /nfs/dbraw/zinc/60/10/86/553601086.db2.gz OBMKSNSXQAEZGH-OYKDXHIPSA-N 0 1 586.645 2.805 50 0 biogenic KFAAMN C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1F)c2=O ZINC000070686922 553605922 /nfs/dbraw/zinc/60/59/22/553605922.db2.gz KAJXKVSHZGIIGG-KSFYIVLOSA-N 0 1 563.538 2.526 50 0 biogenic KFAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699145 553615571 /nfs/dbraw/zinc/61/55/71/553615571.db2.gz KEAWQTGGKQATSK-PKVHRPSESA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699148 553615545 /nfs/dbraw/zinc/61/55/45/553615545.db2.gz KEAWQTGGKQATSK-BMEWAZJXSA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699149 553615563 /nfs/dbraw/zinc/61/55/63/553615563.db2.gz KEAWQTGGKQATSK-IGGVYQGESA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070699152 553615558 /nfs/dbraw/zinc/61/55/58/553615558.db2.gz KEAWQTGGKQATSK-GXCDUKDASA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701456 553622119 /nfs/dbraw/zinc/62/21/19/553622119.db2.gz USLUCCCHZMUGNA-NLPMMIMISA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701458 553622121 /nfs/dbraw/zinc/62/21/21/553622121.db2.gz USLUCCCHZMUGNA-ZIIYKKPRSA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701459 553622115 /nfs/dbraw/zinc/62/21/15/553622115.db2.gz USLUCCCHZMUGNA-LBLLCNBYSA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN O=C1Nc2c(cccc2Cl)[C@]12N[C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070701461 553622058 /nfs/dbraw/zinc/62/20/58/553622058.db2.gz USLUCCCHZMUGNA-OHRDTETDSA-N 0 1 531.952 2.938 50 0 biogenic KFAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704879 553624035 /nfs/dbraw/zinc/62/40/35/553624035.db2.gz IYZRVZXYQAVOMV-AKKJASCUSA-N 0 1 545.567 2.754 50 0 biogenic KFAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704882 553623966 /nfs/dbraw/zinc/62/39/66/553623966.db2.gz IYZRVZXYQAVOMV-SHJMPOBASA-N 0 1 545.567 2.754 50 0 biogenic KFAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704884 553624002 /nfs/dbraw/zinc/62/40/02/553624002.db2.gz IYZRVZXYQAVOMV-ZCTJEENXSA-N 0 1 545.567 2.754 50 0 biogenic KFAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000070704885 553624077 /nfs/dbraw/zinc/62/40/77/553624077.db2.gz IYZRVZXYQAVOMV-QXQHHZKDSA-N 0 1 545.567 2.754 50 0 biogenic KFAAMN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CCC(N)=O)N[C@@]23c2cc(Br)ccc2NC3=O)cc1 ZINC000070712267 553633779 /nfs/dbraw/zinc/63/37/79/553633779.db2.gz CNSWEPNDOGXXBU-GXYVPTEVSA-N 0 1 529.391 2.656 50 0 biogenic KFAAMN CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)cc1OC ZINC000072139782 553644972 /nfs/dbraw/zinc/64/49/72/553644972.db2.gz CXYVZNZGJNHKQE-UHFFFAOYSA-N 0 1 546.690 2.899 50 0 KFAAMN NC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)(=O)NCC(F)(F)F ZINC000085392534 553678811 /nfs/dbraw/zinc/67/88/11/553678811.db2.gz UPCTWTDJZPAJFM-UHFFFAOYSA-N 0 1 500.208 2.720 50 0 KFAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000085720794 553686577 /nfs/dbraw/zinc/68/65/77/553686577.db2.gz GBQBFZTUWNQDGC-UHFFFAOYSA-N 0 1 515.636 2.720 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000095476327 553701698 /nfs/dbraw/zinc/70/16/98/553701698.db2.gz HDPFNKCYMHNYOD-HHHXNRCGSA-N 0 1 525.573 2.920 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000095476328 553701867 /nfs/dbraw/zinc/70/18/67/553701867.db2.gz HDPFNKCYMHNYOD-MHZLTWQESA-N 0 1 525.573 2.920 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1 ZINC000095570240 553705084 /nfs/dbraw/zinc/70/50/84/553705084.db2.gz BQXWUEAAXQOADL-UHFFFAOYSA-N 0 1 530.544 2.658 50 0 KFAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000096019763 553716569 /nfs/dbraw/zinc/71/65/69/553716569.db2.gz ZEFJUBZIZAUNJP-UHFFFAOYSA-N 0 1 531.642 2.689 50 0 KFAAMN Cn1c2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000096019863 553716874 /nfs/dbraw/zinc/71/68/74/553716874.db2.gz JZINXHDNTFQTHE-UHFFFAOYSA-N 0 1 554.680 2.917 50 0 KFAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324120 553752053 /nfs/dbraw/zinc/75/20/53/553752053.db2.gz XLEJOBBRCIGEDD-UHFFFAOYSA-N 0 1 512.009 2.775 50 0 KFAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000097955827 553834339 /nfs/dbraw/zinc/83/43/39/553834339.db2.gz RBGHWCNEXVXEIV-WBBHLRKXSA-N 0 1 533.588 2.970 50 0 KFAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000097955828 553834146 /nfs/dbraw/zinc/83/41/46/553834146.db2.gz RBGHWCNEXVXEIV-QXNWPYRLSA-N 0 1 533.588 2.970 50 0 KFAAMN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000097955829 553834120 /nfs/dbraw/zinc/83/41/20/553834120.db2.gz RBGHWCNEXVXEIV-DLLPINGYSA-N 0 1 533.588 2.970 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1 ZINC000097958202 553852071 /nfs/dbraw/zinc/85/20/71/553852071.db2.gz JXBYVKZANIFXGR-UHFFFAOYSA-N 0 1 527.559 2.529 50 0 KFAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982894 554006188 /nfs/dbraw/zinc/00/61/88/554006188.db2.gz WHKHXNRMFOHPJF-UHFFFAOYSA-N 0 1 604.682 2.736 50 0 KFAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000098008910 554067948 /nfs/dbraw/zinc/06/79/48/554067948.db2.gz SHULEPLHCFCQOO-RUZDIDTESA-N 0 1 545.552 2.728 50 0 KFAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000098008911 554067882 /nfs/dbraw/zinc/06/78/82/554067882.db2.gz SHULEPLHCFCQOO-VWLOTQADSA-N 0 1 545.552 2.728 50 0 KFAAMN CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)n2)CC1 ZINC000098015190 554096879 /nfs/dbraw/zinc/09/68/79/554096879.db2.gz LPCVSWXLGQUVIT-UHFFFAOYSA-N 0 1 538.640 2.992 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccccc3F)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000098045777 554133880 /nfs/dbraw/zinc/13/38/80/554133880.db2.gz ZSZTXDFJCDOEBE-RUZDIDTESA-N 0 1 540.592 2.610 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccccc3F)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000098045778 554133765 /nfs/dbraw/zinc/13/37/65/554133765.db2.gz ZSZTXDFJCDOEBE-VWLOTQADSA-N 0 1 540.592 2.610 50 0 KFAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100632739 554435504 /nfs/dbraw/zinc/43/55/04/554435504.db2.gz LJSOYWRKLBQFFM-MUUNZHRXSA-N 0 1 574.703 2.747 50 0 KFAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100632742 554435528 /nfs/dbraw/zinc/43/55/28/554435528.db2.gz LJSOYWRKLBQFFM-NDEPHWFRSA-N 0 1 574.703 2.747 50 0 KFAAMN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100873004 554501937 /nfs/dbraw/zinc/50/19/37/554501937.db2.gz MEIUGDPOSZKEQO-LCUIJRPUSA-N 0 1 560.679 2.847 50 0 KFAAMN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100877639 554505599 /nfs/dbraw/zinc/50/55/99/554505599.db2.gz TXWYVOSBTNCODW-RFBIWTDZSA-N 0 1 588.689 2.764 50 0 KFAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1 ZINC000100956996 554539891 /nfs/dbraw/zinc/53/98/91/554539891.db2.gz CYLZUTLDGBDGGS-UHFFFAOYSA-N 0 1 527.432 2.891 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000101216316 554683478 /nfs/dbraw/zinc/68/34/78/554683478.db2.gz VDQYGWLGFDIYSQ-DEOSSOPVSA-N 0 1 555.676 2.971 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000101216321 554683376 /nfs/dbraw/zinc/68/33/76/554683376.db2.gz VDQYGWLGFDIYSQ-XMMPIXPASA-N 0 1 555.676 2.971 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000101216434 554683624 /nfs/dbraw/zinc/68/36/24/554683624.db2.gz OLNUPTAWHOXURS-VWLOTQADSA-N 0 1 567.712 2.840 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(C)CC3)C2=S)cc1 ZINC000101216439 554683755 /nfs/dbraw/zinc/68/37/55/554683755.db2.gz OLNUPTAWHOXURS-RUZDIDTESA-N 0 1 567.712 2.840 50 0 KFAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccc(F)cc2)cc1 ZINC000101232478 554689636 /nfs/dbraw/zinc/68/96/36/554689636.db2.gz OWLYSQUAMNPVDM-HXUWFJFHSA-N 0 1 557.507 2.681 50 0 KFAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccc(F)cc2)cc1 ZINC000101232484 554689693 /nfs/dbraw/zinc/68/96/93/554689693.db2.gz OWLYSQUAMNPVDM-FQEVSTJZSA-N 0 1 557.507 2.681 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000101254246 554694609 /nfs/dbraw/zinc/69/46/09/554694609.db2.gz UESXCCINJOEOQC-QHCPKHFHSA-N 0 1 541.649 2.581 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000101254249 554694672 /nfs/dbraw/zinc/69/46/72/554694672.db2.gz UESXCCINJOEOQC-HSZRJFAPSA-N 0 1 541.649 2.581 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000101254254 554694706 /nfs/dbraw/zinc/69/47/06/554694706.db2.gz HYFCJPFMNHPMPN-RUZDIDTESA-N 0 1 567.712 2.840 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCN(C)CC3)C2=S)cc1 ZINC000101254258 554694604 /nfs/dbraw/zinc/69/46/04/554694604.db2.gz HYFCJPFMNHPMPN-VWLOTQADSA-N 0 1 567.712 2.840 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254269 554694721 /nfs/dbraw/zinc/69/47/21/554694721.db2.gz YKNUYHVBBXHUKN-RUZDIDTESA-N 0 1 595.722 2.618 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254271 554694618 /nfs/dbraw/zinc/69/46/18/554694618.db2.gz YKNUYHVBBXHUKN-VWLOTQADSA-N 0 1 595.722 2.618 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254307 554694885 /nfs/dbraw/zinc/69/48/85/554694885.db2.gz ATLGHMHIFSYPPX-VWLOTQADSA-N 0 1 567.712 2.840 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254312 554694940 /nfs/dbraw/zinc/69/49/40/554694940.db2.gz ATLGHMHIFSYPPX-RUZDIDTESA-N 0 1 567.712 2.840 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254349 554694895 /nfs/dbraw/zinc/69/48/95/554694895.db2.gz UJXANAKVRLPNDO-XMMPIXPASA-N 0 1 537.686 2.750 50 0 KFAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254352 554694943 /nfs/dbraw/zinc/69/49/43/554694943.db2.gz UJXANAKVRLPNDO-DEOSSOPVSA-N 0 1 537.686 2.750 50 0 KFAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254376 554694921 /nfs/dbraw/zinc/69/49/21/554694921.db2.gz AGBIGMMGRQFKFQ-JOCHJYFZSA-N 0 1 546.093 2.936 50 0 KFAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCN(C)CC2)cc1 ZINC000101254379 554694882 /nfs/dbraw/zinc/69/48/82/554694882.db2.gz AGBIGMMGRQFKFQ-QFIPXVFZSA-N 0 1 546.093 2.936 50 0 KFAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)NCc1ccc2c(c1)OCO2 ZINC000101272542 554701220 /nfs/dbraw/zinc/70/12/20/554701220.db2.gz VDENYORSSPRHIB-UHFFFAOYSA-N 0 1 538.401 2.502 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276561 554702947 /nfs/dbraw/zinc/70/29/47/554702947.db2.gz UREWEQHDQCCSQR-IDCDSMMUSA-N 0 1 529.524 2.876 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276564 554702840 /nfs/dbraw/zinc/70/28/40/554702840.db2.gz UREWEQHDQCCSQR-CHCBTGSZSA-N 0 1 529.524 2.876 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276566 554702865 /nfs/dbraw/zinc/70/28/65/554702865.db2.gz UREWEQHDQCCSQR-HNFJUSDZSA-N 0 1 529.524 2.876 50 0 KFAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101276567 554702975 /nfs/dbraw/zinc/70/29/75/554702975.db2.gz UREWEQHDQCCSQR-MVPDCNEZSA-N 0 1 529.524 2.876 50 0 KFAAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=O)N[C@H]2c1cccc(Br)c1 ZINC000101284072 554705483 /nfs/dbraw/zinc/70/54/83/554705483.db2.gz LVDFAVXZLSJTDL-OKILXGFUSA-N 0 1 522.153 2.659 50 0 KFAAMN O=C1NC(=O)C2(C(=O)N1)[C@H](c1cccc(Br)c1)NC(=O)N[C@H]2c1cccc(Br)c1 ZINC000101284076 554705454 /nfs/dbraw/zinc/70/54/54/554705454.db2.gz LVDFAVXZLSJTDL-KBPBESRZSA-N 0 1 522.153 2.659 50 0 KFAAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)NC(=O)N[C@@H]2c1cccc(Br)c1 ZINC000101284079 554705534 /nfs/dbraw/zinc/70/55/34/554705534.db2.gz LVDFAVXZLSJTDL-ZIAGYGMSSA-N 0 1 522.153 2.659 50 0 KFAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]31)C(=O)N2 ZINC000101284774 554705704 /nfs/dbraw/zinc/70/57/04/554705704.db2.gz WUSIIDREYASZQL-XITLKHQFSA-N 0 1 520.895 2.858 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2cccs2)C1=O ZINC000101408054 554762796 /nfs/dbraw/zinc/76/27/96/554762796.db2.gz XAPJLQCYJVXXMP-AREMUKBSSA-N 0 1 539.581 2.849 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2cccs2)C1=O ZINC000101408055 554762741 /nfs/dbraw/zinc/76/27/41/554762741.db2.gz XAPJLQCYJVXXMP-SANMLTNESA-N 0 1 539.581 2.849 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21 ZINC000101409655 554763346 /nfs/dbraw/zinc/76/33/46/554763346.db2.gz KIXGDEQFYIADJJ-HHHXNRCGSA-N 0 1 562.529 2.786 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21 ZINC000101409656 554763316 /nfs/dbraw/zinc/76/33/16/554763316.db2.gz KIXGDEQFYIADJJ-MHZLTWQESA-N 0 1 562.529 2.786 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101411155 554763884 /nfs/dbraw/zinc/76/38/84/554763884.db2.gz DDQIKULDRYRRLN-MUUNZHRXSA-N 0 1 551.542 2.927 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101411157 554763878 /nfs/dbraw/zinc/76/38/78/554763878.db2.gz DDQIKULDRYRRLN-NDEPHWFRSA-N 0 1 551.542 2.927 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000101413270 554764407 /nfs/dbraw/zinc/76/44/07/554764407.db2.gz BPHQEOFTBKJCEY-GDLZYMKVSA-N 0 1 547.579 2.830 50 0 KFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000101413272 554764414 /nfs/dbraw/zinc/76/44/14/554764414.db2.gz BPHQEOFTBKJCEY-LJAQVGFWSA-N 0 1 547.579 2.830 50 0 KFAAMN COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)[nH]c3c2cc1OC ZINC000101425535 554768545 /nfs/dbraw/zinc/76/85/45/554768545.db2.gz DVJPHLSSNBNKHL-OAQYLSRUSA-N 0 1 568.675 2.619 50 0 KFAAMN COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)[nH]c3c2cc1OC ZINC000101425538 554768486 /nfs/dbraw/zinc/76/84/86/554768486.db2.gz DVJPHLSSNBNKHL-NRFANRHFSA-N 0 1 568.675 2.619 50 0 KFAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccccc2)cc1 ZINC000101448316 554774927 /nfs/dbraw/zinc/77/49/27/554774927.db2.gz UUDDOHHBHTUMHG-HXUWFJFHSA-N 0 1 539.517 2.542 50 0 KFAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccccc2)cc1 ZINC000101448319 554774885 /nfs/dbraw/zinc/77/48/85/554774885.db2.gz UUDDOHHBHTUMHG-FQEVSTJZSA-N 0 1 539.517 2.542 50 0 KFAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc21 ZINC000101448912 554775182 /nfs/dbraw/zinc/77/51/82/554775182.db2.gz JOTDLDOMRPTXJY-UHFFFAOYSA-N 0 1 535.508 2.844 50 0 KFAAMN COC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(=O)[nH]1 ZINC000101511789 554792896 /nfs/dbraw/zinc/79/28/96/554792896.db2.gz LLPGDACUVRNPDZ-UHFFFAOYSA-N 0 1 523.976 2.782 50 0 KFAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2=O)cc1Cl ZINC000101511796 554792971 /nfs/dbraw/zinc/79/29/71/554792971.db2.gz WTHDJUMHAARKBF-UHFFFAOYSA-N 0 1 523.976 2.767 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000101541729 554795787 /nfs/dbraw/zinc/79/57/87/554795787.db2.gz YZSRQXDACYLFRS-XMMPIXPASA-N 0 1 542.608 2.840 50 0 KFAAMN CCOC(=O)C1C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000101541736 554795777 /nfs/dbraw/zinc/79/57/77/554795777.db2.gz YZSRQXDACYLFRS-DEOSSOPVSA-N 0 1 542.608 2.840 50 0 KFAAMN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCN4CCN(C)CC4)CC3)s2)cc1 ZINC000101575733 554799022 /nfs/dbraw/zinc/79/90/22/554799022.db2.gz ZWPNRRWASZIBRO-UHFFFAOYSA-N 0 1 552.749 2.920 50 0 KFAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000101623599 554810757 /nfs/dbraw/zinc/81/07/57/554810757.db2.gz AWZMUAHAXKCCCI-UHFFFAOYSA-N 0 1 530.050 2.828 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCCCC[C@@H]43)C2=O)cc1OC ZINC000101670312 554823674 /nfs/dbraw/zinc/82/36/74/554823674.db2.gz KRUPUMUBIVHADI-WVXBCFDCSA-N 0 1 559.623 2.633 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCCCC[C@@H]43)C2=O)cc1OC ZINC000101670317 554823779 /nfs/dbraw/zinc/82/37/79/554823779.db2.gz KRUPUMUBIVHADI-DJUQAAIZSA-N 0 1 559.623 2.633 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCCCC[C@H]43)C2=O)cc1OC ZINC000101670320 554823755 /nfs/dbraw/zinc/82/37/55/554823755.db2.gz KRUPUMUBIVHADI-YUDQIZAISA-N 0 1 559.623 2.633 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCCCC[C@H]43)C2=O)cc1OC ZINC000101670326 554823746 /nfs/dbraw/zinc/82/37/46/554823746.db2.gz KRUPUMUBIVHADI-JHOBJCJYSA-N 0 1 559.623 2.633 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1OC ZINC000101670744 554823981 /nfs/dbraw/zinc/82/39/81/554823981.db2.gz ZUOAONDVUWSROA-UTONBFNKSA-N 0 1 593.640 2.988 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1OC ZINC000101670747 554824178 /nfs/dbraw/zinc/82/41/78/554824178.db2.gz ZUOAONDVUWSROA-NYFMKLKXSA-N 0 1 593.640 2.988 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1OC ZINC000101670750 554824159 /nfs/dbraw/zinc/82/41/59/554824159.db2.gz ZUOAONDVUWSROA-OOOSNSGVSA-N 0 1 593.640 2.988 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1OC ZINC000101670755 554824118 /nfs/dbraw/zinc/82/41/18/554824118.db2.gz ZUOAONDVUWSROA-UBOZLPQGSA-N 0 1 593.640 2.988 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1OC ZINC000101671557 554825110 /nfs/dbraw/zinc/82/51/10/554825110.db2.gz KWGCUAKWNZIRQR-HVIPQOSHSA-N 0 1 579.613 2.679 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1OC ZINC000101671560 554825167 /nfs/dbraw/zinc/82/51/67/554825167.db2.gz KWGCUAKWNZIRQR-DICHSLLOSA-N 0 1 579.613 2.679 50 0 KFAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000101681416 554828492 /nfs/dbraw/zinc/82/84/92/554828492.db2.gz ISJLFNMUYPEMKB-UHFFFAOYSA-N 0 1 600.745 2.865 50 0 KFAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)CC(=O)N2 ZINC000101731214 554833473 /nfs/dbraw/zinc/83/34/73/554833473.db2.gz MGNDNBVMMCDDSG-GOSISDBHSA-N 0 1 522.525 2.980 50 0 KFAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)CC(=O)N2 ZINC000101731220 554833516 /nfs/dbraw/zinc/83/35/16/554833516.db2.gz MGNDNBVMMCDDSG-SFHVURJKSA-N 0 1 522.525 2.980 50 0 KFAAMN O=C(c1ccccc1Br)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000101744301 554834296 /nfs/dbraw/zinc/83/42/96/554834296.db2.gz OIBRALFFVLUDNL-UHFFFAOYSA-N 0 1 551.489 2.813 50 0 KFAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000102243312 554903337 /nfs/dbraw/zinc/90/33/37/554903337.db2.gz FFNSDBYCEDFXNI-UHFFFAOYSA-N 0 1 522.523 2.984 50 0 KFAAMN COc1ccc(S(=O)(=O)N(c2ccc(N3CCN(C)CC3)c3nonc32)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102371159 554916151 /nfs/dbraw/zinc/91/61/51/554916151.db2.gz HSOYQJOMARAVKX-UHFFFAOYSA-N 0 1 573.653 2.576 50 0 KFAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)NCc1ccc2c(c1)OCO2 ZINC000102606208 554979083 /nfs/dbraw/zinc/97/90/83/554979083.db2.gz FDHMMXTXQYNWMK-UHFFFAOYSA-N 0 1 527.502 2.759 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)cc1 ZINC000102606802 554979599 /nfs/dbraw/zinc/97/95/99/554979599.db2.gz FXFUUWLRARLGMQ-UHFFFAOYSA-N 0 1 532.619 2.581 50 0 KFAAMN CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1 ZINC000102606805 554979881 /nfs/dbraw/zinc/97/98/81/554979881.db2.gz PRBAJKWXSMMSEU-UHFFFAOYSA-N 0 1 532.619 2.581 50 0 KFAAMN CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000102781938 555066340 /nfs/dbraw/zinc/06/63/40/555066340.db2.gz XFZNYISLTFJNAX-UHFFFAOYSA-N 0 1 553.729 2.886 50 0 KFAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000102785027 555067438 /nfs/dbraw/zinc/06/74/38/555067438.db2.gz FXCICNSZDKUFDH-UHFFFAOYSA-N 0 1 551.713 2.640 50 0 KFAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)cc21 ZINC000102792800 555069617 /nfs/dbraw/zinc/06/96/17/555069617.db2.gz HJJZNHJLVSLDLI-UHFFFAOYSA-N 0 1 591.572 2.846 50 0 KFAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCN(Cc4ccccc4)CC3)cc21 ZINC000102793323 555071017 /nfs/dbraw/zinc/07/10/17/555071017.db2.gz DHIIRAKTVICDDL-UHFFFAOYSA-N 0 1 535.508 2.844 50 0 KFAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000102895696 555134923 /nfs/dbraw/zinc/13/49/23/555134923.db2.gz IPNKXYOZIHTDJC-UHFFFAOYSA-N 0 1 538.051 2.563 50 0 KFAAMN COC(=O)c1ccc([C@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000102908516 555141611 /nfs/dbraw/zinc/14/16/11/555141611.db2.gz OFBRSDUDBKJZHC-HHHXNRCGSA-N 0 1 539.636 2.876 50 0 KFAAMN COC(=O)c1ccc([C@@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000102908519 555141646 /nfs/dbraw/zinc/14/16/46/555141646.db2.gz OFBRSDUDBKJZHC-MHZLTWQESA-N 0 1 539.636 2.876 50 0 KFAAMN CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000102920517 555145711 /nfs/dbraw/zinc/14/57/11/555145711.db2.gz HDHILVAUCSXIBA-UHFFFAOYSA-N 0 1 546.738 2.617 50 0 KFAAMN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000102920717 555145831 /nfs/dbraw/zinc/14/58/31/555145831.db2.gz RTGNFXAKAVXFHZ-UHFFFAOYSA-N 0 1 549.141 2.983 50 0 KFAAMN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1OC ZINC000102931192 1059552260 /nfs/dbraw/zinc/55/22/60/1059552260.db2.gz ZJKQQZCECHOIRD-MOSHPQCFSA-N 0 1 555.594 2.970 50 0 KFAAMN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1OC ZINC000102931194 555158675 /nfs/dbraw/zinc/15/86/75/555158675.db2.gz ZJKQQZCECHOIRD-DEDYPNTBSA-N 0 1 555.594 2.970 50 0 KFAAMN O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000102939556 555168297 /nfs/dbraw/zinc/16/82/97/555168297.db2.gz COWFRFPPBUNWDX-MHZLTWQESA-N 0 1 551.709 2.854 50 0 KFAAMN O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000102939559 555168235 /nfs/dbraw/zinc/16/82/35/555168235.db2.gz COWFRFPPBUNWDX-HHHXNRCGSA-N 0 1 551.709 2.854 50 0 KFAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCN(Cc4ccccc4)CC3)cc21 ZINC000102955897 555173739 /nfs/dbraw/zinc/17/37/39/555173739.db2.gz JMRONOPSXHMHKC-UHFFFAOYSA-N 0 1 547.519 2.844 50 0 KFAAMN COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1 ZINC000102972522 555182440 /nfs/dbraw/zinc/18/24/40/555182440.db2.gz FBPVMSNWZSGVAD-UHFFFAOYSA-N 0 1 581.694 2.626 50 0 KFAAMN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000102975162 555184680 /nfs/dbraw/zinc/18/46/80/555184680.db2.gz UPMOEPQKLVVFGC-AWEZNQCLSA-N 0 1 540.554 2.858 50 0 KFAAMN COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000102975166 555184603 /nfs/dbraw/zinc/18/46/03/555184603.db2.gz UPMOEPQKLVVFGC-CQSZACIVSA-N 0 1 540.554 2.858 50 0 KFAAMN COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993908 555193723 /nfs/dbraw/zinc/19/37/23/555193723.db2.gz WIVDRCMZXTULMJ-UHFFFAOYSA-N 0 1 579.628 2.917 50 0 KFAAMN COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993928 555193716 /nfs/dbraw/zinc/19/37/16/555193716.db2.gz IFHWWEYXARIGQY-KDURUIRLSA-N 0 1 501.536 2.915 50 0 KFAAMN COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993930 555193706 /nfs/dbraw/zinc/19/37/06/555193706.db2.gz IFHWWEYXARIGQY-OALUTQOASA-N 0 1 501.536 2.915 50 0 KFAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)ccc2OC)cc1 ZINC000102994191 555194276 /nfs/dbraw/zinc/19/42/76/555194276.db2.gz UJAPJXHSORGJIR-MHZLTWQESA-N 0 1 550.593 2.837 50 0 KFAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc2OC)cc1 ZINC000102994195 555194204 /nfs/dbraw/zinc/19/42/04/555194204.db2.gz UJAPJXHSORGJIR-HHHXNRCGSA-N 0 1 550.593 2.837 50 0 KFAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2F)ccc1N1CCOCC1 ZINC000102998165 555197467 /nfs/dbraw/zinc/19/74/67/555197467.db2.gz FFHUTLHIRKKAGJ-UHFFFAOYSA-N 0 1 542.589 2.840 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103003768 555202407 /nfs/dbraw/zinc/20/24/07/555202407.db2.gz PJFQYXJEWPMYMV-NFCHJMJDSA-N 0 1 534.682 2.623 50 0 KFAAMN CCN(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103007780 555204801 /nfs/dbraw/zinc/20/48/01/555204801.db2.gz LRIFBOVLOWCHSA-UHFFFAOYSA-N 0 1 552.679 2.927 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2cccc(OC)c2OC)CC1 ZINC000103010361 1059075786 /nfs/dbraw/zinc/07/57/86/1059075786.db2.gz OONQZXYQXLCQFH-FLIBITNWSA-N 0 1 544.674 2.519 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2ccc(OC)cc2OC)CC1 ZINC000103010365 1059076351 /nfs/dbraw/zinc/07/63/51/1059076351.db2.gz ANVSBTBGCLEXLC-POHAHGRESA-N 0 1 544.674 2.519 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2ccc(OC)c(OC)c2)CC1 ZINC000103010368 1059076182 /nfs/dbraw/zinc/07/61/82/1059076182.db2.gz MTMHATJGRQTGGE-POHAHGRESA-N 0 1 544.674 2.519 50 0 KFAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2cc(C)ccc2Cl)CC1 ZINC000103010421 555205767 /nfs/dbraw/zinc/20/57/67/555205767.db2.gz YKAJJOOLWBZQCP-UHFFFAOYSA-N 0 1 537.082 2.829 50 0 KFAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000103011013 555205937 /nfs/dbraw/zinc/20/59/37/555205937.db2.gz JFSACOGEXOVPMC-SMXKYELJSA-N 0 1 528.030 2.976 50 0 KFAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2n[nH]c(=O)c3ccccc32)ccc1N1CCOCC1 ZINC000103011857 555206369 /nfs/dbraw/zinc/20/63/69/555206369.db2.gz SJXIGGHKZRIFLA-UHFFFAOYSA-N 0 1 535.582 2.821 50 0 KFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000103035893 555222929 /nfs/dbraw/zinc/22/29/29/555222929.db2.gz PACARMQSGIYXRG-UHFFFAOYSA-N 0 1 522.008 2.968 50 0 KFAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCCN3C(=O)CSC3=O)nc2c1 ZINC000103088181 555267116 /nfs/dbraw/zinc/26/71/16/555267116.db2.gz DQOWWWQACUSGQG-UHFFFAOYSA-N 0 1 536.613 2.541 50 0 KFAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000103090068 555269154 /nfs/dbraw/zinc/26/91/54/555269154.db2.gz COGOLLZWRSVOQO-LJQANCHMSA-N 0 1 536.672 2.896 50 0 KFAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000103090071 555269093 /nfs/dbraw/zinc/26/90/93/555269093.db2.gz COGOLLZWRSVOQO-IBGZPJMESA-N 0 1 536.672 2.896 50 0 KFAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000103098144 555275302 /nfs/dbraw/zinc/27/53/02/555275302.db2.gz QYKBXRUOMUETAA-UHFFFAOYSA-N 0 1 533.509 2.500 50 0 KFAAMN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103100914 555278495 /nfs/dbraw/zinc/27/84/95/555278495.db2.gz DHFHHROZEMOGCU-UHFFFAOYSA-N 0 1 596.754 2.842 50 0 KFAAMN CC[C@H](C)[N@@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000103869095 571368118 /nfs/dbraw/zinc/36/81/18/571368118.db2.gz ONIDEQMXMMZNJK-HSQYWUDLSA-N 0 1 504.678 2.919 50 0 KFAAMN NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COc1cc(O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000104039546 571371625 /nfs/dbraw/zinc/37/16/25/571371625.db2.gz FCCUWKPTCIBKQH-RPWUZVMVSA-N 0 1 613.623 2.519 50 0 biogenic KFAAMN NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COc1cc(=O)c2c([O-])c(-c3ccc4c(c3)OCCO4)coc-2c1 ZINC000104039546 571371623 /nfs/dbraw/zinc/37/16/23/571371623.db2.gz FCCUWKPTCIBKQH-RPWUZVMVSA-N 0 1 613.623 2.519 50 0 biogenic KFAAMN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COc1cc(O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000105258985 1059076265 /nfs/dbraw/zinc/07/62/65/1059076265.db2.gz IXCARTVRIQMLNJ-OAQYLSRUSA-N 0 1 547.516 2.922 50 0 KFAAMN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000105258985 1059076242 /nfs/dbraw/zinc/07/62/42/1059076242.db2.gz IXCARTVRIQMLNJ-OAQYLSRUSA-N 0 1 547.516 2.922 50 0 KFAAMN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COc1cc(O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000105258991 1059076124 /nfs/dbraw/zinc/07/61/24/1059076124.db2.gz IXCARTVRIQMLNJ-NRFANRHFSA-N 0 1 547.516 2.922 50 0 KFAAMN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000105258991 1059076106 /nfs/dbraw/zinc/07/61/06/1059076106.db2.gz IXCARTVRIQMLNJ-NRFANRHFSA-N 0 1 547.516 2.922 50 0 KFAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC[N@H+]1CCN(c3cccc(C)c3)[C@H](C)C1)c2=O ZINC000105477955 571405086 /nfs/dbraw/zinc/40/50/86/571405086.db2.gz JDLMCKKQKWFIDY-LJQANCHMSA-N 0 1 523.659 2.871 50 0 KFAAMN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000113480856 571438963 /nfs/dbraw/zinc/43/89/63/571438963.db2.gz RAWQLTRWUUNYFT-SJORKVTESA-N 0 1 556.695 2.515 50 0 KFAAMN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(CNC(=O)CN3CCCCC3)c3c(c2OC)OCO3)CCN1C ZINC000114383982 571443360 /nfs/dbraw/zinc/44/33/60/571443360.db2.gz IULJHHOWJRIJBH-RPBOFIJWSA-N 0 1 567.639 2.984 50 0 KFAAMN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(CNC(=O)CN3CCCCC3)c3c(c2OC)OCO3)CCN1C ZINC000146396239 571456766 /nfs/dbraw/zinc/45/67/66/571456766.db2.gz IULJHHOWJRIJBH-DQEYMECFSA-N 0 1 567.639 2.984 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000169712742 571559251 /nfs/dbraw/zinc/55/92/51/571559251.db2.gz PJFQYXJEWPMYMV-CULQRQJQSA-N 0 1 534.682 2.623 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000169712746 571559133 /nfs/dbraw/zinc/55/91/33/571559133.db2.gz HNCICGFNJFYBRP-WTBAIAJFSA-N 0 1 516.642 2.916 50 0 KFAAMN COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427261 571794076 /nfs/dbraw/zinc/79/40/76/571794076.db2.gz JOZLZXDTNSDMEU-LKUPVBHCSA-N 0 1 520.538 2.520 50 0 KFAAMN COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427261 571794073 /nfs/dbraw/zinc/79/40/73/571794073.db2.gz JOZLZXDTNSDMEU-LKUPVBHCSA-N 0 1 520.538 2.520 50 0 KFAAMN COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427299 571794046 /nfs/dbraw/zinc/79/40/46/571794046.db2.gz JOZLZXDTNSDMEU-PBEJRMEISA-N 0 1 520.538 2.520 50 0 KFAAMN COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427299 571794043 /nfs/dbraw/zinc/79/40/43/571794043.db2.gz JOZLZXDTNSDMEU-PBEJRMEISA-N 0 1 520.538 2.520 50 0 KFAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 ZINC000227019416 572147559 /nfs/dbraw/zinc/14/75/59/572147559.db2.gz RCYUEQQSQCSCIV-GQAKTHPZSA-N 0 1 506.868 2.549 50 0 KFAAMN O=C1NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C(=O)N1CCc1ccccc1 ZINC000229974440 572176163 /nfs/dbraw/zinc/17/61/63/572176163.db2.gz ROBDMYVWVHBFNT-NGQVCNFZSA-N 0 1 519.561 2.866 50 0 KFAAMN O=C1NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C(=O)N1CCc1ccccc1 ZINC000229974447 572175834 /nfs/dbraw/zinc/17/58/34/572175834.db2.gz ROBDMYVWVHBFNT-QABMSTFYSA-N 0 1 519.561 2.866 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1OC ZINC000230004124 572177799 /nfs/dbraw/zinc/17/77/99/572177799.db2.gz KWGCUAKWNZIRQR-IEWVHIKDSA-N 0 1 579.613 2.884 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1OC ZINC000230004129 572177584 /nfs/dbraw/zinc/17/75/84/572177584.db2.gz KWGCUAKWNZIRQR-XYFQYJLHSA-N 0 1 579.613 2.884 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5ccccc5nc4N4CCCCC[C@H]43)C2=O)cc1OC ZINC000230005800 572178584 /nfs/dbraw/zinc/17/85/84/572178584.db2.gz YCKBZAOVMBGQBD-ZTOMLWHTSA-N 0 1 545.596 2.529 50 0 KFAAMN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5ccccc5nc4N4CCCCC[C@H]43)C2=O)cc1OC ZINC000230005807 572178314 /nfs/dbraw/zinc/17/83/14/572178314.db2.gz YCKBZAOVMBGQBD-PZGXJGMVSA-N 0 1 545.596 2.529 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235082 572209827 /nfs/dbraw/zinc/20/98/27/572209827.db2.gz HNCICGFNJFYBRP-XPVYSAHSSA-N 0 1 516.642 2.916 50 0 KFAAMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235971 572210155 /nfs/dbraw/zinc/21/01/55/572210155.db2.gz PJFQYXJEWPMYMV-ZCOUOSKHSA-N 0 1 534.682 2.623 50 0 KFAAMN COC(=O)[C@H]1[C@@]23Oc4ccccc4[C@@H]2n2c(=O)/c(=C/c4cc(Cl)cc(Cl)c4O)sc2=N[C@@]13C ZINC000245253624 572221554 /nfs/dbraw/zinc/22/15/54/572221554.db2.gz JSKDYXMZPOACEA-IWFNZKAKSA-N 0 1 503.363 2.666 50 0 KFAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000245256769 572222728 /nfs/dbraw/zinc/22/27/28/572222728.db2.gz SIHWJLLANVMQEL-SHJMPOBASA-N 0 1 509.562 2.812 50 0 KFAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000245256770 572222683 /nfs/dbraw/zinc/22/26/83/572222683.db2.gz SIHWJLLANVMQEL-XPVYSAHSSA-N 0 1 509.562 2.812 50 0 KFAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000245327787 572234411 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ZINC000263586851 572125282 /nfs/dbraw/zinc/12/52/82/572125282.db2.gz YSKRTKWHDJABDN-TUSYCDLHSA-N 0 1 586.645 2.805 50 0 KFAAMN COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263587520 572125973 /nfs/dbraw/zinc/12/59/73/572125973.db2.gz HROZHPKUSWKYAC-INIZCTEOSA-N 0 1 501.561 2.820 50 0 KFAAMN COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263587521 572125837 /nfs/dbraw/zinc/12/58/37/572125837.db2.gz HROZHPKUSWKYAC-MRXNPFEDSA-N 0 1 501.561 2.820 50 0 KFAAMN COc1ccc([C@H](CC(=O)NC2CCN(C(=O)C3CC3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263588095 572126628 /nfs/dbraw/zinc/12/66/28/572126628.db2.gz PABLQRVSBFDXFO-IBGZPJMESA-N 0 1 514.575 2.719 50 0 KFAAMN COc1ccc([C@@H](CC(=O)NC2CCN(C(=O)C3CC3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263588096 572126500 /nfs/dbraw/zinc/12/65/00/572126500.db2.gz PABLQRVSBFDXFO-LJQANCHMSA-N 0 1 514.575 2.719 50 0 KFAAMN COc1ccc([C@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263588771 572126385 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QLDDZUXARJYHIQ-XZOQPEGZSA-N 0 1 533.585 2.570 50 0 KFAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857186 1059502733 /nfs/dbraw/zinc/50/27/33/1059502733.db2.gz QLDDZUXARJYHIQ-XZOQPEGZSA-N 0 1 533.585 2.570 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(C3CCN(C(=O)C4CC4)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857227 1059502674 /nfs/dbraw/zinc/50/26/74/1059502674.db2.gz RPODLGOXCHKVDL-NYDCQLBNSA-N 0 1 634.774 2.995 50 0 KFAAMN O=C(CN1CCCC1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952857337 1059504082 /nfs/dbraw/zinc/50/40/82/1059504082.db2.gz PEPNTIXASVLSTN-YTMVLYRLSA-N 0 1 512.614 2.915 50 0 KFAAMN Cc1n[nH]c(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952857354 1059504012 /nfs/dbraw/zinc/50/40/12/1059504012.db2.gz SFMBMVQHCRLUGS-IZZNHLLZSA-N 0 1 560.655 2.545 50 0 KFAAMN CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857421 1059504190 /nfs/dbraw/zinc/50/41/90/1059504190.db2.gz NAPTZQAOHFBHBG-UIOOFZCWSA-N 0 1 531.613 2.831 50 0 KFAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1ccnc(C(C)C)n1)CCCNC(=O)CC2 ZINC000952857430 1059504800 /nfs/dbraw/zinc/50/48/00/1059504800.db2.gz YNDJTISXAWLNHB-QHCPKHFHSA-N 0 1 582.746 2.685 50 0 KFAAMN CC(=O)N1CCC(N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952857675 1059505870 /nfs/dbraw/zinc/50/58/70/1059505870.db2.gz USTALBZBRBSGOK-BDYUSTAISA-N 0 1 520.630 2.569 50 0 KFAAMN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(CCn3cnnc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857840 1059507140 /nfs/dbraw/zinc/50/71/40/1059507140.db2.gz WFBDPCKHVCXSPP-RRPNLBNLSA-N 0 1 548.644 2.639 50 0 KFAAMN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857982 1059507719 /nfs/dbraw/zinc/50/77/19/1059507719.db2.gz YQOCZJXVBOIPEN-IGKIAQTJSA-N 0 1 559.623 2.674 50 0 KFAAMN COCCCN1CC(=O)N[C@H]2CN(C(=O)CN(C)C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952858084 1059507790 /nfs/dbraw/zinc/50/77/90/1059507790.db2.gz UIKLVPJXHWERKE-IZZNHLLZSA-N 0 1 554.688 2.504 50 0 KFAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1cn3cc(C)ccc3n1)CCCNC(=O)CC2 ZINC000952858973 1059509186 /nfs/dbraw/zinc/50/91/86/1059509186.db2.gz KVGLHGDSLJBVPZ-DEOSSOPVSA-N 0 1 592.741 2.728 50 0 KFAAMN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952859373 1059510173 /nfs/dbraw/zinc/51/01/73/1059510173.db2.gz UCXZWEPGARDTJV-GMAHTHKFSA-N 0 1 511.966 2.612 50 0 KFAAMN O=C([O-])c1ccccc1C[N@@H+]1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952859373 1059510152 /nfs/dbraw/zinc/51/01/52/1059510152.db2.gz UCXZWEPGARDTJV-GMAHTHKFSA-N 0 1 511.966 2.612 50 0 KFAAMN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(Cc2nn(C)c3cccc(Cl)c23)CCCCN(C)C1=O ZINC000952861853 1059512601 /nfs/dbraw/zinc/51/26/01/1059512601.db2.gz IFDQECMRICLCPM-IBGZPJMESA-N 0 1 585.105 2.690 50 0 KFAAMN COc1ccccc1-c1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)n[nH]1 ZINC000952861952 1059513008 /nfs/dbraw/zinc/51/30/08/1059513008.db2.gz GYVYSLMANHXKFP-AREMUKBSSA-N 0 1 632.697 2.854 50 0 KFAAMN COc1ccc(CN2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc3ccc(c(OC)c3)OCC(=O)NCCC2)c(Cl)c1OC ZINC000952862314 1059514771 /nfs/dbraw/zinc/51/47/71/1059514771.db2.gz IFYBNJZARSQTFT-ZDMRONSHSA-N 0 1 762.345 2.992 50 0 KFAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(CC(C)(C)N3CCOCC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862387 1059515510 /nfs/dbraw/zinc/51/55/10/1059515510.db2.gz IXBSMOOKDPSFQA-BDYUSTAISA-N 0 1 536.673 2.669 50 0 KFAAMN O=C(CCc1nc2ccc(F)cc2[nH]1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952862392 1059515410 /nfs/dbraw/zinc/51/54/10/1059515410.db2.gz IXZZSJDXJZMIIB-UPVQGACJSA-N 0 1 568.009 2.888 50 0 KFAAMN CCc1ccc(-c2cc(C(=O)N3CCCCN(C)C(=O)[C@H](C)NC(=O)COc4cc(O)cc(c4)C(=O)NCCC3)n[nH]2)cc1 ZINC000952862395 1059515446 /nfs/dbraw/zinc/51/54/46/1059515446.db2.gz MCZJEUGCLBOUPL-NRFANRHFSA-N 0 1 604.708 2.743 50 0 KFAAMN CNc1nc(C)cc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)n1 ZINC000952862402 1059515357 /nfs/dbraw/zinc/51/53/57/1059515357.db2.gz MLKNIEXKYANNKL-LSYYVWMOSA-N 0 1 604.708 2.939 50 0 KFAAMN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(-c4ccsc4)[nH]n3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862584 1059516726 /nfs/dbraw/zinc/51/67/26/1059516726.db2.gz BVMRDAXVWRNGLA-YOHGMWRPSA-N 0 1 769.925 2.988 50 0 KFAAMN CN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952862920 1059518407 /nfs/dbraw/zinc/51/84/07/1059518407.db2.gz SHNPLQDVGJBFIY-RRPNLBNLSA-N 0 1 534.657 2.582 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(c3cc(C)nc(N4CCCCC4)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863173 1059520190 /nfs/dbraw/zinc/52/01/90/1059520190.db2.gz UIMVRWVVLWWZFG-NSOVKSMOSA-N 0 1 601.708 2.955 50 0 KFAAMN COCCOCCN1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952863274 1059520656 /nfs/dbraw/zinc/52/06/56/1059520656.db2.gz HOSFPVZZIXRZET-LOSJGSFVSA-N 0 1 511.619 2.612 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(C3CSCCSC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863328 1059521439 /nfs/dbraw/zinc/52/14/39/1059521439.db2.gz HZEZZSSMLKODJM-DQEYMECFSA-N 0 1 558.726 2.510 50 0 KFAAMN CCN1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863454 1059521785 /nfs/dbraw/zinc/52/17/85/1059521785.db2.gz AZUXWJBWTHVGRL-DQEYMECFSA-N 0 1 512.607 2.526 50 0 KFAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cccn(C)c3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863498 1059489711 /nfs/dbraw/zinc/48/97/11/1059489711.db2.gz JZTZIIIGNCUIQW-IZZNHLLZSA-N 0 1 530.625 2.848 50 0 KFAAMN Cc1n[nH]c(SCC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n1 ZINC000952863587 1059490724 /nfs/dbraw/zinc/49/07/24/1059490724.db2.gz BAZNZIHSHRPENL-DQEYMECFSA-N 0 1 548.669 2.888 50 0 KFAAMN Cc1nnc(SCC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)[nH]1 ZINC000952863587 1059490715 /nfs/dbraw/zinc/49/07/15/1059490715.db2.gz BAZNZIHSHRPENL-DQEYMECFSA-N 0 1 548.669 2.888 50 0 KFAAMN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3nc(C)n[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863784 1059525719 /nfs/dbraw/zinc/52/57/19/1059525719.db2.gz DASAIYRYABUORC-DQEYMECFSA-N 0 1 578.695 2.705 50 0 KFAAMN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3nnc(C)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863784 1059525702 /nfs/dbraw/zinc/52/57/02/1059525702.db2.gz DASAIYRYABUORC-DQEYMECFSA-N 0 1 578.695 2.705 50 0 KFAAMN CCCCc1nc(CN2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)c[nH]1 ZINC000952864001 1059526508 /nfs/dbraw/zinc/52/65/08/1059526508.db2.gz KLIMWRDDJDQJHK-QHCPKHFHSA-N 0 1 584.762 2.838 50 0 KFAAMN Cc1nn[nH]c1C(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864131 1059527608 /nfs/dbraw/zinc/52/76/08/1059527608.db2.gz IMJLWVPLQARHLP-RPLLCQBOSA-N 0 1 510.558 2.559 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864254 1059528097 /nfs/dbraw/zinc/52/80/97/1059528097.db2.gz JMXYYDVYNPYAOK-UIOOFZCWSA-N 0 1 562.671 2.883 50 0 KFAAMN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C3CCN(C(C)=O)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864454 1059529395 /nfs/dbraw/zinc/52/93/95/1059529395.db2.gz HWRWISOPLMHGBK-LSYYVWMOSA-N 0 1 522.646 2.629 50 0 KFAAMN CCCCc1ncc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)[nH]1 ZINC000952864553 1059530640 /nfs/dbraw/zinc/53/06/40/1059530640.db2.gz KAJKAKCXDGETEV-RUZDIDTESA-N 0 1 568.698 2.881 50 0 KFAAMN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(Cc2ccc(-c3cc[nH]n3)o2)CCNC1=O ZINC000952864584 1059530495 /nfs/dbraw/zinc/53/04/95/1059530495.db2.gz JPIQLQPBYQQJKB-KLYZNTHZSA-N 0 1 710.236 2.568 50 0 KFAAMN CCCCc1ncc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)[nH]1 ZINC000952864760 1059532010 /nfs/dbraw/zinc/53/20/10/1059532010.db2.gz PBGQVZGSIWTNEY-GMAHTHKFSA-N 0 1 514.030 2.979 50 0 KFAAMN Cc1n[nH]c(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952864785 1059531812 /nfs/dbraw/zinc/53/18/12/1059531812.db2.gz QJWPHEXNCXRQIW-BJKOFHAPSA-N 0 1 546.628 2.535 50 0 KFAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(-c3ccsc3)[nH]n1)CCCNC(=O)CC2 ZINC000952864944 1059533217 /nfs/dbraw/zinc/53/32/17/1059533217.db2.gz RRTUTVPEQITFTJ-NRFANRHFSA-N 0 1 624.764 2.864 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865311 1059535423 /nfs/dbraw/zinc/53/54/23/1059535423.db2.gz WEJAAKKETJJEPI-VMPREFPWSA-N 0 1 542.636 2.829 50 0 KFAAMN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](CCC(=O)[O-])CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865395 1059535338 /nfs/dbraw/zinc/53/53/38/1059535338.db2.gz XTCHBZAVOYCIGK-ZEQRLZLVSA-N 0 1 511.575 2.562 50 0 KFAAMN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C3CCN(C(=O)c4cnccn4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865521 1059535992 /nfs/dbraw/zinc/53/59/92/1059535992.db2.gz PWXQZXONBAEZDL-FIBWVYCGSA-N 0 1 586.693 2.713 50 0 KFAAMN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccn[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865525 1059536821 /nfs/dbraw/zinc/53/68/21/1059536821.db2.gz ZNEJVAGAEZKKFU-XZOQPEGZSA-N 0 1 503.559 2.512 50 0 KFAAMN Cc1c[nH]c(C[NH+]2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)n1 ZINC000952865621 1059536560 /nfs/dbraw/zinc/53/65/60/1059536560.db2.gz TUJCKLFOAYMPHF-VWLOTQADSA-N 0 1 545.640 2.967 50 0 KFAAMN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccn[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865694 1059537400 /nfs/dbraw/zinc/53/74/00/1059537400.db2.gz WEEJSCRFZSFVNG-IGKIAQTJSA-N 0 1 559.623 2.674 50 0 KFAAMN CN1CC(=O)N[C@H]2CN(C(=O)c3ccn[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865792 1059537969 /nfs/dbraw/zinc/53/79/69/1059537969.db2.gz SYMWGDXULAFTNP-LOSJGSFVSA-N 0 1 517.586 2.523 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(C3CCN(C(C)=O)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952865818 1059538150 /nfs/dbraw/zinc/53/81/50/1059538150.db2.gz TXSJEPLVAVTUEO-IZEXYCQBSA-N 0 1 608.736 2.605 50 0 KFAAMN CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865917 1059539334 /nfs/dbraw/zinc/53/93/34/1059539334.db2.gz XUGCCXJGHOASBN-DQEYMECFSA-N 0 1 517.586 2.523 50 0 KFAAMN COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952866040 1059539779 /nfs/dbraw/zinc/53/97/79/1059539779.db2.gz XRBWVPSMIJKHAU-URLMMPGGSA-N 0 1 622.763 2.997 50 0 KFAAMN CCSc1ncc(CN2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cn1 ZINC000952866053 1059540339 /nfs/dbraw/zinc/54/03/39/1059540339.db2.gz YHGPUYRXHYHECA-QFIPXVFZSA-N 0 1 600.786 2.674 50 0 KFAAMN COCCN1CC(=O)N[C@H]2CN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952866089 1059540269 /nfs/dbraw/zinc/54/02/69/1059540269.db2.gz ZNZRVXXEGWYICQ-NSOVKSMOSA-N 0 1 562.671 2.784 50 0 KFAAMN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1nc3c(s1)CCCC3)CCCNC2=O ZINC000952868122 1059522601 /nfs/dbraw/zinc/52/26/01/1059522601.db2.gz ZBWBSWSBZSTDHY-FQEVSTJZSA-N 0 1 571.744 2.788 50 0 KFAAMN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccccc1-c1nnc[nH]1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952868861 1059523129 /nfs/dbraw/zinc/52/31/29/1059523129.db2.gz BHTFPJUALRPIMY-LJAQVGFWSA-N 0 1 663.739 2.697 50 0 KFAAMN N[C@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br ZINC000952881049 1059525094 /nfs/dbraw/zinc/52/50/94/1059525094.db2.gz PZIUWYUKYSEEDH-HSZRJFAPSA-N 0 1 502.388 2.781 50 0 KFAAMN N[C@@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br ZINC000952881061 1059524920 /nfs/dbraw/zinc/52/49/20/1059524920.db2.gz PZIUWYUKYSEEDH-QHCPKHFHSA-N 0 1 502.388 2.781 50 0 KFAAMN Cc1n[nH]c(C2CC2)c1C(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952967937 1059543049 /nfs/dbraw/zinc/54/30/49/1059543049.db2.gz DPVFGFQBYQOQLN-UHFFFAOYSA-N 0 1 517.634 2.794 50 0 KFAAMN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2ccc3c(c2)CCO3)CCNC1=O ZINC000952972949 1059541543 /nfs/dbraw/zinc/54/15/43/1059541543.db2.gz QUSLLUHFPTVCCK-AREMUKBSSA-N 0 1 564.662 2.750 50 0 KFAAMN Cc1ccc2cc1OCCCn1cc(nn1)CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952975834 1059542355 /nfs/dbraw/zinc/54/23/55/1059542355.db2.gz PFPUYFFIZDCWRQ-UIQUCHBDSA-N 0 1 564.731 2.502 50 0 KFAAMN