smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-] ZINC000003794149 562938005 /nfs/dbraw/zinc/93/80/05/562938005.db2.gz CDPROXZBMHOBTQ-SJORKVTESA-N 0 1 438.573 0.370 20 0 in-man ICADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C)n[nH]3)CC2)cc1OC ZINC000011706159 1072964558 /nfs/dbraw/zinc/96/45/58/1072964558.db2.gz GBUWUJPKHBYEJL-UHFFFAOYSA-N 0 1 441.535 0.756 20 0 ICADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)[nH]3)CC2)cc1OC ZINC000011706159 1072964557 /nfs/dbraw/zinc/96/45/57/1072964557.db2.gz GBUWUJPKHBYEJL-UHFFFAOYSA-N 0 1 441.535 0.756 20 0 ICADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(C)n[nH]1 ZINC000021586201 1072358477 /nfs/dbraw/zinc/35/84/77/1072358477.db2.gz OMEDCLKEZJIJQJ-UHFFFAOYSA-N 0 1 427.508 0.873 20 0 ICADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(C)[nH]1 ZINC000021586201 1072358456 /nfs/dbraw/zinc/35/84/56/1072358456.db2.gz OMEDCLKEZJIJQJ-UHFFFAOYSA-N 0 1 427.508 0.873 20 0 ICADMN Cc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1N1CCN(C)CC1 ZINC000021865579 1072360533 /nfs/dbraw/zinc/36/05/33/1072360533.db2.gz GDVBGJOEBMRJDZ-QGZVFWFLSA-N 0 1 447.561 0.851 20 0 ICADMN Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1N1CCN(C)CC1 ZINC000021865583 1072360452 /nfs/dbraw/zinc/36/04/52/1072360452.db2.gz GDVBGJOEBMRJDZ-KRWDZBQOSA-N 0 1 447.561 0.851 20 0 ICADMN CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000028256005 1072720774 /nfs/dbraw/zinc/72/07/74/1072720774.db2.gz OJBXJTHIIVCUSN-UHFFFAOYSA-N 0 1 425.488 0.962 20 0 ICADMN CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000028256009 1072720926 /nfs/dbraw/zinc/72/09/26/1072720926.db2.gz RIUSANDTIPXDEV-UHFFFAOYSA-N 0 1 427.460 0.774 20 0 ICADMN CN(C)S(=O)(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000040430175 563103354 /nfs/dbraw/zinc/10/33/54/563103354.db2.gz YEFIJEXZAWLRFG-UHFFFAOYSA-N 0 1 441.485 0.186 20 0 ICADMN Cn1cc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268450 939817475 /nfs/dbraw/zinc/81/74/75/939817475.db2.gz QMNJIZLCJMBLAE-CZQLGGELSA-N 0 1 426.473 0.333 20 0 ICADMN Cn1cc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268452 939817952 /nfs/dbraw/zinc/81/79/52/939817952.db2.gz QMNJIZLCJMBLAE-DGSRBQDKSA-N 0 1 426.473 0.333 20 0 ICADMN Cn1cc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268454 939817493 /nfs/dbraw/zinc/81/74/93/939817493.db2.gz QMNJIZLCJMBLAE-DYYZXQNHSA-N 0 1 426.473 0.333 20 0 ICADMN Cn1cc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC001123268456 939817846 /nfs/dbraw/zinc/81/78/46/939817846.db2.gz QMNJIZLCJMBLAE-MZMPXXGTSA-N 0 1 426.473 0.333 20 0 ICADMN O=C1NCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)C12CNC2 ZINC001164410890 718878892 /nfs/dbraw/zinc/87/88/92/718878892.db2.gz IWJFKAAAGVYDMT-UHFFFAOYSA-N 0 1 428.562 0.681 20 0 ICADMN COC(=O)[C@H]1CNCCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632073 719135083 /nfs/dbraw/zinc/13/50/83/719135083.db2.gz ONJVNFGPLXLZHS-AUUYWEPGSA-N 0 1 440.907 0.968 20 0 ICADMN COC(=O)[C@@H]1CNCCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632074 719135148 /nfs/dbraw/zinc/13/51/48/719135148.db2.gz ONJVNFGPLXLZHS-IFXJQAMLSA-N 0 1 440.907 0.968 20 0 ICADMN COC(=O)[C@H]1CNCCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632075 719135481 /nfs/dbraw/zinc/13/54/81/719135481.db2.gz ONJVNFGPLXLZHS-KUHUBIRLSA-N 0 1 440.907 0.968 20 0 ICADMN COC(=O)[C@@H]1CNCCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164632076 719135705 /nfs/dbraw/zinc/13/57/05/719135705.db2.gz ONJVNFGPLXLZHS-LIRRHRJNSA-N 0 1 440.907 0.968 20 0 ICADMN COC(=O)[C@H]1CNCCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633778 719135026 /nfs/dbraw/zinc/13/50/26/719135026.db2.gz SSTLFYBAENVDFN-ACJLOTCBSA-N 0 1 426.880 0.944 20 0 ICADMN COC(=O)[C@H]1CNCCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633785 719135073 /nfs/dbraw/zinc/13/50/73/719135073.db2.gz SSTLFYBAENVDFN-FZKQIMNGSA-N 0 1 426.880 0.944 20 0 ICADMN COC(=O)[C@@H]1CNCCN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633788 719135132 /nfs/dbraw/zinc/13/51/32/719135132.db2.gz SSTLFYBAENVDFN-SCLBCKFNSA-N 0 1 426.880 0.944 20 0 ICADMN COC(=O)[C@@H]1CNCCN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164633792 719135381 /nfs/dbraw/zinc/13/53/81/719135381.db2.gz SSTLFYBAENVDFN-UGSOOPFHSA-N 0 1 426.880 0.944 20 0 ICADMN COCCN1CCN(C)C2(CCN(c3ncnc4[nH]cc(S(C)(=O)=O)c43)CC2)C1=O ZINC001164636611 719271532 /nfs/dbraw/zinc/27/15/32/719271532.db2.gz VRPLNQBGSDXRIE-UHFFFAOYSA-N 0 1 436.538 0.121 20 0 ICADMN CCc1cc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc(N2CCOCC2)n1 ZINC001164638209 719277651 /nfs/dbraw/zinc/27/76/51/719277651.db2.gz DPZBKDYRRYSVGL-UHFFFAOYSA-N 0 1 432.569 0.635 20 0 ICADMN Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CCN(C)CC3)nn2)C[C@H]2CCCO[C@@H]21 ZINC001164650280 719318630 /nfs/dbraw/zinc/31/86/30/719318630.db2.gz CXTIIOZTSIJELV-BLIXFSHQSA-N 0 1 441.536 0.939 20 0 ICADMN Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CCN(C)CC3)nn2)C[C@@H]2CCCO[C@H]12 ZINC001164650312 719318737 /nfs/dbraw/zinc/31/87/37/719318737.db2.gz CXTIIOZTSIJELV-CDXJDZJCSA-N 0 1 441.536 0.939 20 0 ICADMN Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CCN(C)CC3)nn2)C[C@H]2CCCO[C@H]21 ZINC001164650315 719318710 /nfs/dbraw/zinc/31/87/10/719318710.db2.gz CXTIIOZTSIJELV-HGHGUNKESA-N 0 1 441.536 0.939 20 0 ICADMN Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(N3CCN(C)CC3)nn2)C[C@@H]2CCCO[C@@H]12 ZINC001164650318 719318730 /nfs/dbraw/zinc/31/87/30/719318730.db2.gz CXTIIOZTSIJELV-YRISNDGFSA-N 0 1 441.536 0.939 20 0 ICADMN COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3[C@H](C2)OCCN3C)CN1 ZINC001164666114 719394048 /nfs/dbraw/zinc/39/40/48/719394048.db2.gz JGDXMSKWRDQSOH-FZDIXFNVSA-N 0 1 443.504 0.440 20 0 ICADMN COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3OCCN(C)[C@H]3C2)CN1 ZINC001164666117 719393916 /nfs/dbraw/zinc/39/39/16/719393916.db2.gz JGDXMSKWRDQSOH-QZHFEQFPSA-N 0 1 443.504 0.440 20 0 ICADMN COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCCN(C)[C@H]3C2)CN1 ZINC001164666119 719394018 /nfs/dbraw/zinc/39/40/18/719394018.db2.gz JGDXMSKWRDQSOH-UDTPNQRGSA-N 0 1 443.504 0.440 20 0 ICADMN COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3OCCN(C)[C@@H]3C2)CN1 ZINC001164666120 719394371 /nfs/dbraw/zinc/39/43/71/719394371.db2.gz JGDXMSKWRDQSOH-WQANXHIZSA-N 0 1 443.504 0.440 20 0 ICADMN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164686482 719688024 /nfs/dbraw/zinc/68/80/24/719688024.db2.gz NPHYFXFPCLNYTJ-KRWDZBQOSA-N 0 1 440.552 0.753 20 0 ICADMN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164686483 719688484 /nfs/dbraw/zinc/68/84/84/719688484.db2.gz NPHYFXFPCLNYTJ-QGZVFWFLSA-N 0 1 440.552 0.753 20 0 ICADMN COC(=O)c1cc2c(ncnc2N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH]1 ZINC001164701826 719935379 /nfs/dbraw/zinc/93/53/79/719935379.db2.gz CPGONHCCHPRMMR-UHFFFAOYSA-N 0 1 438.492 0.380 20 0 ICADMN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)nc3c1CCNC3)CC2 ZINC001164702264 719939350 /nfs/dbraw/zinc/93/93/50/719939350.db2.gz DLEMJUXVYFMFOR-UHFFFAOYSA-N 0 1 430.944 0.460 20 0 ICADMN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CCOCC3)n1)CC2 ZINC001164708785 719916962 /nfs/dbraw/zinc/91/69/62/719916962.db2.gz QGXXYFFSMODTSG-UHFFFAOYSA-N 0 1 425.537 0.602 20 0 ICADMN CN1CCN(c2ccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)nn2)CC1 ZINC001164712858 720080638 /nfs/dbraw/zinc/08/06/38/720080638.db2.gz RRPSDVFLRCYNMN-FGSXEWAUSA-N 0 1 430.553 0.604 20 0 ICADMN CN1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)nn2)CC1 ZINC001164712859 720080164 /nfs/dbraw/zinc/08/01/64/720080164.db2.gz RRPSDVFLRCYNMN-HMFYCAOWSA-N 0 1 430.553 0.604 20 0 ICADMN CN1CCN(c2ccc(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)nn2)CC1 ZINC001164712860 720080676 /nfs/dbraw/zinc/08/06/76/720080676.db2.gz RRPSDVFLRCYNMN-SPEDKVCISA-N 0 1 430.553 0.604 20 0 ICADMN CN1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)nn2)CC1 ZINC001164712861 720080196 /nfs/dbraw/zinc/08/01/96/720080196.db2.gz RRPSDVFLRCYNMN-SVMVAKDDSA-N 0 1 430.553 0.604 20 0 ICADMN CN1CCN(c2ccc(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164713158 720050486 /nfs/dbraw/zinc/05/04/86/720050486.db2.gz MWKYBQZQHCMSJR-CDXJDZJCSA-N 0 1 438.536 0.432 20 0 ICADMN CN1CCN(c2ccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)nn2)CC1 ZINC001164713159 720050216 /nfs/dbraw/zinc/05/02/16/720050216.db2.gz MWKYBQZQHCMSJR-DJPFJPOOSA-N 0 1 438.536 0.432 20 0 ICADMN CN1CCN(c2ccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)nn2)CC1 ZINC001164713160 720050446 /nfs/dbraw/zinc/05/04/46/720050446.db2.gz MWKYBQZQHCMSJR-MDKPJZGXSA-N 0 1 438.536 0.432 20 0 ICADMN CN1CCN(c2ccc(N3C[C@@H](NC(=O)c4cnccn4)[C@@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164713161 720051193 /nfs/dbraw/zinc/05/11/93/720051193.db2.gz MWKYBQZQHCMSJR-YRISNDGFSA-N 0 1 438.536 0.432 20 0 ICADMN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4[nH]cc(S(C)(=O)=O)c43)C2)C1 ZINC001164720184 720235229 /nfs/dbraw/zinc/23/52/29/720235229.db2.gz RZXAZFXQYFWDHZ-IBGZPJMESA-N 0 1 436.538 0.026 20 0 ICADMN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4[nH]cc(S(C)(=O)=O)c43)C2)C1 ZINC001164720185 720233662 /nfs/dbraw/zinc/23/36/62/720233662.db2.gz RZXAZFXQYFWDHZ-LJQANCHMSA-N 0 1 436.538 0.026 20 0 ICADMN O=S(=O)(c1cccnc1N1CCc2ncc(CN3CCCC3)n2CC1)N1CCOCC1 ZINC001164729672 720574083 /nfs/dbraw/zinc/57/40/83/720574083.db2.gz SNHXUOBICHCLIK-UHFFFAOYSA-N 0 1 446.577 0.958 20 0 ICADMN COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736605 720586261 /nfs/dbraw/zinc/58/62/61/720586261.db2.gz OQNVFOCIPWTDDU-UHFFFAOYSA-N 0 1 434.522 0.371 20 0 ICADMN O=S(=O)(c1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1)N1CCOCC1 ZINC001164736639 720580416 /nfs/dbraw/zinc/58/04/16/720580416.db2.gz PUIMSAURTSYKAN-UHFFFAOYSA-N 0 1 446.577 0.958 20 0 ICADMN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164737758 720732608 /nfs/dbraw/zinc/73/26/08/720732608.db2.gz CNKPUKCOYJXOPX-MSOLQXFVSA-N 0 1 439.520 0.998 20 0 ICADMN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164737759 720732015 /nfs/dbraw/zinc/73/20/15/720732015.db2.gz CNKPUKCOYJXOPX-QZTJIDSGSA-N 0 1 439.520 0.998 20 0 ICADMN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164737760 720732591 /nfs/dbraw/zinc/73/25/91/720732591.db2.gz CNKPUKCOYJXOPX-ROUUACIJSA-N 0 1 439.520 0.998 20 0 ICADMN COC(=O)C1CCN(c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164737761 720731938 /nfs/dbraw/zinc/73/19/38/720731938.db2.gz CNKPUKCOYJXOPX-ZWKOTPCHSA-N 0 1 439.520 0.998 20 0 ICADMN COC(=O)C1CCN(c2nccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001164740954 720728942 /nfs/dbraw/zinc/72/89/42/720728942.db2.gz LRUCCLHPZXEYNE-MSOLQXFVSA-N 0 1 439.520 0.998 20 0 ICADMN COC(=O)C1CCN(c2nccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001164740955 720729580 /nfs/dbraw/zinc/72/95/80/720729580.db2.gz 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ZINC001479177137 1070062792 /nfs/dbraw/zinc/06/27/92/1070062792.db2.gz BAPVFISUMSTWCP-NHCUHLMSSA-N 0 1 431.581 0.782 20 0 ICADMN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001479177138 1070062473 /nfs/dbraw/zinc/06/24/73/1070062473.db2.gz BAPVFISUMSTWCP-RTWAWAEBSA-N 0 1 431.581 0.782 20 0 ICADMN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001479177140 1070062751 /nfs/dbraw/zinc/06/27/51/1070062751.db2.gz BAPVFISUMSTWCP-SFTDATJTSA-N 0 1 431.581 0.782 20 0 ICADMN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001479177356 1070062203 /nfs/dbraw/zinc/06/22/03/1070062203.db2.gz FRXAMUPUJMPSJC-GHTZIAJQSA-N 0 1 436.553 0.833 20 0 ICADMN COc1cc(OC)cc([C@@H](O)CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001479177358 1070062419 /nfs/dbraw/zinc/06/24/19/1070062419.db2.gz FRXAMUPUJMPSJC-NQIIRXRSSA-N 0 1 436.553 0.833 20 0 ICADMN COc1cc(OC)cc([C@@H](O)CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001479177360 1070062328 /nfs/dbraw/zinc/06/23/28/1070062328.db2.gz FRXAMUPUJMPSJC-RXVVDRJESA-N 0 1 436.553 0.833 20 0 ICADMN COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001479177362 1070062593 /nfs/dbraw/zinc/06/25/93/1070062593.db2.gz FRXAMUPUJMPSJC-WIYYLYMNSA-N 0 1 436.553 0.833 20 0 ICADMN CC(C)CN1C[C@@H]2CN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CCN2C1=O ZINC001479177801 1070062546 /nfs/dbraw/zinc/06/25/46/1070062546.db2.gz CMQFEMJGMDBXES-PMACEKPBSA-N 0 1 436.601 0.570 20 0 ICADMN CC(C)CN1C[C@@H]2CN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CCN2C1=O ZINC001479177803 1070062374 /nfs/dbraw/zinc/06/23/74/1070062374.db2.gz CMQFEMJGMDBXES-UXHICEINSA-N 0 1 436.601 0.570 20 0 ICADMN CC(C)CN1C[C@H]2CN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CCN2C1=O ZINC001479177806 1070062682 /nfs/dbraw/zinc/06/26/82/1070062682.db2.gz CMQFEMJGMDBXES-VQTJNVASSA-N 0 1 436.601 0.570 20 0 ICADMN CC(C)CN1C[C@H]2CN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CCN2C1=O ZINC001479177807 1070062249 /nfs/dbraw/zinc/06/22/49/1070062249.db2.gz CMQFEMJGMDBXES-WOJBJXKFSA-N 0 1 436.601 0.570 20 0 ICADMN O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001479177828 1070063456 /nfs/dbraw/zinc/06/34/56/1070063456.db2.gz CWCKZVVOWBZLHP-HRVKUGKESA-N 0 1 428.599 0.438 20 0 ICADMN O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001479177829 1070063797 /nfs/dbraw/zinc/06/37/97/1070063797.db2.gz CWCKZVVOWBZLHP-MSRNWOCLSA-N 0 1 428.599 0.438 20 0 ICADMN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001479178073 1070063625 /nfs/dbraw/zinc/06/36/25/1070063625.db2.gz GHJHRULBBGXCPM-CRAIPNDOSA-N 0 1 436.475 0.920 20 0 ICADMN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001479178075 1070063274 /nfs/dbraw/zinc/06/32/74/1070063274.db2.gz GHJHRULBBGXCPM-MAUKXSAKSA-N 0 1 436.475 0.920 20 0 ICADMN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001479178077 1070063862 /nfs/dbraw/zinc/06/38/62/1070063862.db2.gz GHJHRULBBGXCPM-QAPCUYQASA-N 0 1 436.475 0.920 20 0 ICADMN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001479178079 1070063569 /nfs/dbraw/zinc/06/35/69/1070063569.db2.gz GHJHRULBBGXCPM-YJBOKZPZSA-N 0 1 436.475 0.920 20 0 ICADMN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001479178316 1070063519 /nfs/dbraw/zinc/06/35/19/1070063519.db2.gz RBNPXBVKLATFGC-IBGZPJMESA-N 0 1 430.553 0.346 20 0 ICADMN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001479178318 1070063189 /nfs/dbraw/zinc/06/31/89/1070063189.db2.gz RBNPXBVKLATFGC-LJQANCHMSA-N 0 1 430.553 0.346 20 0 ICADMN COc1ccc(CNC(=O)CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC001479178541 1070063411 /nfs/dbraw/zinc/06/34/11/1070063411.db2.gz XQWVBELQGWBTHM-IBGZPJMESA-N 0 1 433.553 0.407 20 0 ICADMN COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC001479178542 1070063314 /nfs/dbraw/zinc/06/33/14/1070063314.db2.gz XQWVBELQGWBTHM-LJQANCHMSA-N 0 1 433.553 0.407 20 0 ICADMN O=C(Cc1ccccc1)N1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001479178684 1070063140 /nfs/dbraw/zinc/06/31/40/1070063140.db2.gz OBHRUYJNQYOFOM-JOCHJYFZSA-N 0 1 443.592 0.880 20 0 ICADMN O=C(Cc1ccccc1)N1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001479178685 1070063760 /nfs/dbraw/zinc/06/37/60/1070063760.db2.gz OBHRUYJNQYOFOM-QFIPXVFZSA-N 0 1 443.592 0.880 20 0 ICADMN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCCN(CCN3CCOCC3)C1)CCO2 ZINC001479179122 1070063673 /nfs/dbraw/zinc/06/36/73/1070063673.db2.gz SRPLLMWPZWCAMB-DBAFAGGRSA-N 0 1 438.569 0.583 20 0 ICADMN COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCCN(CCN3CCOCC3)C1)CCO2 ZINC001479179123 1070063357 /nfs/dbraw/zinc/06/33/57/1070063357.db2.gz SRPLLMWPZWCAMB-IDPGXWOASA-N 0 1 438.569 0.583 20 0 ICADMN COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCCN(CCN3CCOCC3)C1)CCO2 ZINC001479179124 1070063235 /nfs/dbraw/zinc/06/32/35/1070063235.db2.gz SRPLLMWPZWCAMB-KLOMGHIOSA-N 0 1 438.569 0.583 20 0 ICADMN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1CCCN(CCN3CCOCC3)C1)CCO2 ZINC001479179125 1070063723 /nfs/dbraw/zinc/06/37/23/1070063723.db2.gz SRPLLMWPZWCAMB-LECRGTDLSA-N 0 1 438.569 0.583 20 0 ICADMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)NCc3nnc4n3CCNC4=O)cc2)C[C@H](C)O1 ZINC001479191400 1070065412 /nfs/dbraw/zinc/06/54/12/1070065412.db2.gz QAYLWAQLGGTJKI-IYBDPMFKSA-N 0 1 441.536 0.972 20 0 ICADMN CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)NCC2(S(N)(=O)=O)CC2)CC1 ZINC001479246953 1070068152 /nfs/dbraw/zinc/06/81/52/1070068152.db2.gz NHMVMPDBASMSMQ-UHFFFAOYSA-N 0 1 447.602 0.830 20 0 ICADMN C[C@@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)CN1CCO ZINC001479248502 1070068224 /nfs/dbraw/zinc/06/82/24/1070068224.db2.gz HZBQBQKEMJLKKO-CABCVRRESA-N 0 1 437.545 0.666 20 0 ICADMN C[C@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)CN1CCO ZINC001479248510 1070067838 /nfs/dbraw/zinc/06/78/38/1070067838.db2.gz HZBQBQKEMJLKKO-GJZGRUSLSA-N 0 1 437.545 0.666 20 0 ICADMN C[C@@H]1CN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@H](C)CN1CCO ZINC001479248518 1070068320 /nfs/dbraw/zinc/06/83/20/1070068320.db2.gz HZBQBQKEMJLKKO-HUUCEWRRSA-N 0 1 437.545 0.666 20 0 ICADMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479248521 1070068009 /nfs/dbraw/zinc/06/80/09/1070068009.db2.gz HZBQBQKEMJLKKO-LSDHHAIUSA-N 0 1 437.545 0.666 20 0 ICADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279304 1070069799 /nfs/dbraw/zinc/06/97/99/1070069799.db2.gz NUVOIFDZOAZKLR-KRWDZBQOSA-N 0 1 433.553 0.248 20 0 ICADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001479279305 1070069480 /nfs/dbraw/zinc/06/94/80/1070069480.db2.gz NUVOIFDZOAZKLR-QGZVFWFLSA-N 0 1 433.553 0.248 20 0 ICADMN CCN1CCN(CC(C)(C)NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC001479279634 1070069744 /nfs/dbraw/zinc/06/97/44/1070069744.db2.gz SIJIKFALIDQSEP-UHFFFAOYSA-N 0 1 446.596 0.477 20 0 ICADMN CN(CCN1CC2(C1)CCOCC2)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001479281234 1070070126 /nfs/dbraw/zinc/07/01/26/1070070126.db2.gz CHCJTDSIFJTHPU-UHFFFAOYSA-N 0 1 431.537 0.173 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001479292233 1070073666 /nfs/dbraw/zinc/07/36/66/1070073666.db2.gz AJEGFSYSFDJCED-UHFFFAOYSA-N 0 1 447.602 0.652 20 0 ICADMN CNC(=O)NC[C@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001479292245 1070073337 /nfs/dbraw/zinc/07/33/37/1070073337.db2.gz APFHEYGFCMLIKT-INIZCTEOSA-N 0 1 442.561 0.315 20 0 ICADMN CNC(=O)NC[C@@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC001479292252 1070073452 /nfs/dbraw/zinc/07/34/52/1070073452.db2.gz APFHEYGFCMLIKT-MRXNPFEDSA-N 0 1 442.561 0.315 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001479293398 1070073598 /nfs/dbraw/zinc/07/35/98/1070073598.db2.gz JISOIQNPDRWEIW-HZPDHXFCSA-N 0 1 425.530 0.274 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCC2(OCCO)CCOCC2)CC1 ZINC001479295116 1070073799 /nfs/dbraw/zinc/07/37/99/1070073799.db2.gz XRMOHGIMRXTOGI-UHFFFAOYSA-N 0 1 444.573 0.833 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCN([S@@](C)(=N)=O)CC2)CC1 ZINC001479295391 1070073557 /nfs/dbraw/zinc/07/35/57/1070073557.db2.gz YFIZWOUANACYQH-GDLZYMKVSA-N 0 1 432.591 0.894 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCN([S@](C)(=N)=O)CC2)CC1 ZINC001479295398 1070073913 /nfs/dbraw/zinc/07/39/13/1070073913.db2.gz YFIZWOUANACYQH-LJAQVGFWSA-N 0 1 432.591 0.894 20 0 ICADMN CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001479296607 1070073738 /nfs/dbraw/zinc/07/37/38/1070073738.db2.gz GHQCSCVOORBSQG-UHFFFAOYSA-N 0 1 438.529 0.627 20 0 ICADMN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC001479315217 1070074887 /nfs/dbraw/zinc/07/48/87/1070074887.db2.gz AYFHBAONYSJOQX-BZSNNMDCSA-N 0 1 427.615 0.435 20 0 ICADMN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC001479315223 1070075318 /nfs/dbraw/zinc/07/53/18/1070075318.db2.gz AYFHBAONYSJOQX-KSZLIROESA-N 0 1 427.615 0.435 20 0 ICADMN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCCN3CCSC[C@H]23)CC1 ZINC001479315227 1070075139 /nfs/dbraw/zinc/07/51/39/1070075139.db2.gz 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/nfs/dbraw/zinc/81/57/18/1071815718.db2.gz PGTNLMQNLFTIGU-KZNAEPCWSA-N 0 1 441.598 0.905 20 0 ICADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001541607479 1071816001 /nfs/dbraw/zinc/81/60/01/1071816001.db2.gz PGTNLMQNLFTIGU-SQNIBIBYSA-N 0 1 441.598 0.905 20 0 ICADMN CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607560 1071815943 /nfs/dbraw/zinc/81/59/43/1071815943.db2.gz SCSDRBJQPKCILD-HNNXBMFYSA-N 0 1 428.603 0.871 20 0 ICADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001541607561 1071815740 /nfs/dbraw/zinc/81/57/40/1071815740.db2.gz SCSDRBJQPKCILD-OAHLLOKOSA-N 0 1 428.603 0.871 20 0 ICADMN CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607651 1071815963 /nfs/dbraw/zinc/81/59/63/1071815963.db2.gz VKQMMOFBSDEALQ-KRWDZBQOSA-N 0 1 448.597 0.637 20 0 ICADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001541607652 1071815771 /nfs/dbraw/zinc/81/57/71/1071815771.db2.gz VKQMMOFBSDEALQ-QGZVFWFLSA-N 0 1 448.597 0.637 20 0 ICADMN CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001541608336 1071815984 /nfs/dbraw/zinc/81/59/84/1071815984.db2.gz RVUUVLVLKRQBIO-CVEARBPZSA-N 0 1 428.603 0.999 20 0 ICADMN CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001541608337 1071815694 /nfs/dbraw/zinc/81/56/94/1071815694.db2.gz RVUUVLVLKRQBIO-HOTGVXAUSA-N 0 1 428.603 0.999 20 0 ICADMN CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608338 1071815884 /nfs/dbraw/zinc/81/58/84/1071815884.db2.gz RVUUVLVLKRQBIO-HZPDHXFCSA-N 0 1 428.603 0.999 20 0 ICADMN CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001541608339 1071815654 /nfs/dbraw/zinc/81/56/54/1071815654.db2.gz RVUUVLVLKRQBIO-JKSUJKDBSA-N 0 1 428.603 0.999 20 0 ICADMN CC(C)N1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001541619360 1071817347 /nfs/dbraw/zinc/81/73/47/1071817347.db2.gz GKBIVHRYOKKULU-INIZCTEOSA-N 0 1 427.571 0.252 20 0 ICADMN CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)CC1 ZINC001541619363 1071817302 /nfs/dbraw/zinc/81/73/02/1071817302.db2.gz GKBIVHRYOKKULU-MRXNPFEDSA-N 0 1 427.571 0.252 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624727 1071817969 /nfs/dbraw/zinc/81/79/69/1071817969.db2.gz NKHDNXFHNGCDFU-FXAWDEMLSA-N 0 1 441.598 0.906 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624730 1071817741 /nfs/dbraw/zinc/81/77/41/1071817741.db2.gz NKHDNXFHNGCDFU-PXNSSMCTSA-N 0 1 441.598 0.906 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001541624733 1071817919 /nfs/dbraw/zinc/81/79/19/1071817919.db2.gz NKHDNXFHNGCDFU-XLIONFOSSA-N 0 1 441.598 0.906 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001541624737 1071817773 /nfs/dbraw/zinc/81/77/73/1071817773.db2.gz NKHDNXFHNGCDFU-YLJYHZDGSA-N 0 1 441.598 0.906 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624884 1071817944 /nfs/dbraw/zinc/81/79/44/1071817944.db2.gz PQWRXSMKLYTZEK-KRWDZBQOSA-N 0 1 438.598 0.627 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 ZINC001541624885 1071818238 /nfs/dbraw/zinc/81/82/38/1071818238.db2.gz PQWRXSMKLYTZEK-QGZVFWFLSA-N 0 1 438.598 0.627 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625386 1071818056 /nfs/dbraw/zinc/81/80/56/1071818056.db2.gz WRIJEDDWRCCIQZ-DLBZAZTESA-N 0 1 427.571 0.516 20 0 ICADMN CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541625389 1071817889 /nfs/dbraw/zinc/81/78/89/1071817889.db2.gz WRIJEDDWRCCIQZ-IAGOWNOFSA-N 0 1 427.571 0.516 20 0 ICADMN CC(C)N1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)CC1 ZINC001541625570 1071818084 /nfs/dbraw/zinc/81/80/84/1071818084.db2.gz QVVCZQAIMIOAGU-UHFFFAOYSA-N 0 1 426.587 0.756 20 0 ICADMN CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001541627302 1071818130 /nfs/dbraw/zinc/81/81/30/1071818130.db2.gz KTYQBPNCOUMFCT-HRAATJIYSA-N 0 1 429.525 0.996 20 0 ICADMN CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001541627303 1071817996 /nfs/dbraw/zinc/81/79/96/1071817996.db2.gz KTYQBPNCOUMFCT-IERDGZPVSA-N 0 1 429.525 0.996 20 0 ICADMN CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001541627304 1071817829 /nfs/dbraw/zinc/81/78/29/1071817829.db2.gz KTYQBPNCOUMFCT-IIBYNOLFSA-N 0 1 429.525 0.996 20 0 ICADMN CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001541627305 1071818266 /nfs/dbraw/zinc/81/82/66/1071818266.db2.gz KTYQBPNCOUMFCT-KKSFZXQISA-N 0 1 429.525 0.996 20 0 ICADMN CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)CC1 ZINC001541627666 1071818866 /nfs/dbraw/zinc/81/88/66/1071818866.db2.gz ZPJQHHLVGLPSSV-UHFFFAOYSA-N 0 1 426.525 0.982 20 0 ICADMN CC(C)N1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(C)(=O)=O)CC1 ZINC001541628789 1071818841 /nfs/dbraw/zinc/81/88/41/1071818841.db2.gz OTHUIKHNPUTOEW-UHFFFAOYSA-N 0 1 439.542 0.085 20 0 ICADMN CC(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001541629182 1071819538 /nfs/dbraw/zinc/81/95/38/1071819538.db2.gz YJZNOGUKHMWEFH-INIZCTEOSA-N 0 1 442.586 0.056 20 0 ICADMN CC(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001541629185 1071819550 /nfs/dbraw/zinc/81/95/50/1071819550.db2.gz YJZNOGUKHMWEFH-MRXNPFEDSA-N 0 1 442.586 0.056 20 0 ICADMN CC(C)N1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001541629708 1071819736 /nfs/dbraw/zinc/81/97/36/1071819736.db2.gz WHMAQCYBHOUDLZ-KRWDZBQOSA-N 0 1 426.525 0.783 20 0 ICADMN CC(C)N1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 ZINC001541629719 1071819683 /nfs/dbraw/zinc/81/96/83/1071819683.db2.gz WTACATAOYLEUAH-UHFFFAOYSA-N 0 1 433.582 0.830 20 0 ICADMN CC(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)CC1 ZINC001541630114 1071819703 /nfs/dbraw/zinc/81/97/03/1071819703.db2.gz LREHYGRFUINYQU-UHFFFAOYSA-N 0 1 429.554 0.977 20 0 ICADMN CC(C)N1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630511 1071819665 /nfs/dbraw/zinc/81/96/65/1071819665.db2.gz FZIKNIVANNIRDR-IBGZPJMESA-N 0 1 445.616 0.984 20 0 ICADMN CC(C)N1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630517 1071819807 /nfs/dbraw/zinc/81/98/07/1071819807.db2.gz FZIKNIVANNIRDR-LJQANCHMSA-N 0 1 445.616 0.984 20 0 ICADMN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 ZINC001541634372 1071824301 /nfs/dbraw/zinc/82/43/01/1071824301.db2.gz GNFKZXCSTKBOCX-CABCVRRESA-N 0 1 426.587 0.770 20 0 ICADMN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 ZINC001541634373 1071824030 /nfs/dbraw/zinc/82/40/30/1071824030.db2.gz GNFKZXCSTKBOCX-GJZGRUSLSA-N 0 1 426.587 0.770 20 0 ICADMN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 ZINC001541634374 1071824164 /nfs/dbraw/zinc/82/41/64/1071824164.db2.gz GNFKZXCSTKBOCX-HUUCEWRRSA-N 0 1 426.587 0.770 20 0 ICADMN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 ZINC001541634375 1071824242 /nfs/dbraw/zinc/82/42/42/1071824242.db2.gz GNFKZXCSTKBOCX-LSDHHAIUSA-N 0 1 426.587 0.770 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN1CCc2ccccc2C1 ZINC001541651944 1071831583 /nfs/dbraw/zinc/83/15/83/1071831583.db2.gz VLLOGNCGRNAZLG-GOSISDBHSA-N 0 1 425.537 0.786 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCN1CCc2ccccc2C1 ZINC001541651945 1071831673 /nfs/dbraw/zinc/83/16/73/1071831673.db2.gz VLLOGNCGRNAZLG-SFHVURJKSA-N 0 1 425.537 0.786 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001541652498 1071831705 /nfs/dbraw/zinc/83/17/05/1071831705.db2.gz IVELDHMMZJNWPH-HOTGVXAUSA-N 0 1 435.573 0.617 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001541652499 1071831468 /nfs/dbraw/zinc/83/14/68/1071831468.db2.gz IVELDHMMZJNWPH-HZPDHXFCSA-N 0 1 435.573 0.617 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001541652500 1071831615 /nfs/dbraw/zinc/83/16/15/1071831615.db2.gz IVELDHMMZJNWPH-IYBDPMFKSA-N 0 1 435.573 0.617 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC1(N(C)C)CCCC1 ZINC001541660142 1071837098 /nfs/dbraw/zinc/83/70/98/1071837098.db2.gz QUJPLSAFUZJEPQ-HNNXBMFYSA-N 0 1 426.587 0.914 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC1(N(C)C)CCCC1 ZINC001541660143 1071836968 /nfs/dbraw/zinc/83/69/68/1071836968.db2.gz QUJPLSAFUZJEPQ-OAHLLOKOSA-N 0 1 426.587 0.914 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@@H](C1CC1)N(C)C ZINC001541661508 1071838412 /nfs/dbraw/zinc/83/84/12/1071838412.db2.gz HLFSJJKSYDYROV-JXFKEZNVSA-N 0 1 438.598 0.772 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@@H](C1CC1)N(C)C ZINC001541661509 1071838985 /nfs/dbraw/zinc/83/89/85/1071838985.db2.gz HLFSJJKSYDYROV-OXJNMPFZSA-N 0 1 438.598 0.772 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@H](C1CC1)N(C)C ZINC001541661510 1071839016 /nfs/dbraw/zinc/83/90/16/1071839016.db2.gz HLFSJJKSYDYROV-OXQOHEQNSA-N 0 1 438.598 0.772 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@H](C1CC1)N(C)C ZINC001541661511 1071838903 /nfs/dbraw/zinc/83/89/03/1071838903.db2.gz HLFSJJKSYDYROV-UZLBHIALSA-N 0 1 438.598 0.772 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCCN(C3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001541671283 1071844750 /nfs/dbraw/zinc/84/47/50/1071844750.db2.gz XCIFPTZPMZRXIO-UHFFFAOYSA-N 0 1 426.587 0.916 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1Cc1ccc(-n2cncn2)nc1 ZINC001541673503 1071847017 /nfs/dbraw/zinc/84/70/17/1071847017.db2.gz TXIQUNGFDTXBJK-UHFFFAOYSA-N 0 1 438.540 0.971 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001541675407 1071849706 /nfs/dbraw/zinc/84/97/06/1071849706.db2.gz KITZNEQEOHSLEK-UHFFFAOYSA-N 0 1 429.529 0.244 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001541675792 1071849916 /nfs/dbraw/zinc/84/99/16/1071849916.db2.gz XUKAARJSPIRTNT-UHFFFAOYSA-N 0 1 433.557 0.373 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541676780 1071851268 /nfs/dbraw/zinc/85/12/68/1071851268.db2.gz GFBYDLQGMAAJIU-BEIWTESXSA-N 0 1 438.598 0.486 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541676781 1071851119 /nfs/dbraw/zinc/85/11/19/1071851119.db2.gz GFBYDLQGMAAJIU-DFYVNMARSA-N 0 1 438.598 0.486 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541676782 1071851061 /nfs/dbraw/zinc/85/10/61/1071851061.db2.gz GFBYDLQGMAAJIU-JTBPQFFMSA-N 0 1 438.598 0.486 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541676783 1071851201 /nfs/dbraw/zinc/85/12/01/1071851201.db2.gz GFBYDLQGMAAJIU-XHDOVSQSSA-N 0 1 438.598 0.486 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1Cc1nncn1C ZINC001541677264 1071852011 /nfs/dbraw/zinc/85/20/11/1071852011.db2.gz UTLIYBPGZAFZJQ-UHFFFAOYSA-N 0 1 437.552 0.958 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001541677902 1071853279 /nfs/dbraw/zinc/85/32/79/1071853279.db2.gz MLGAGCQXMHLVIN-BBWFWOEESA-N 0 1 449.556 0.556 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001541677903 1071853156 /nfs/dbraw/zinc/85/31/56/1071853156.db2.gz MLGAGCQXMHLVIN-IXDOHACOSA-N 0 1 449.556 0.556 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001541677904 1071853050 /nfs/dbraw/zinc/85/30/50/1071853050.db2.gz MLGAGCQXMHLVIN-ULQDDVLXSA-N 0 1 449.556 0.556 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001541677905 1071853311 /nfs/dbraw/zinc/85/33/11/1071853311.db2.gz MLGAGCQXMHLVIN-ZACQAIPSSA-N 0 1 449.556 0.556 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679225 1071855369 /nfs/dbraw/zinc/85/53/69/1071855369.db2.gz UONVXORNUMQGPY-KRWDZBQOSA-N 0 1 438.598 0.916 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CC1CCS(=O)(=O)CC1 ZINC001541679226 1071855247 /nfs/dbraw/zinc/85/52/47/1071855247.db2.gz UONVXORNUMQGPY-QGZVFWFLSA-N 0 1 438.598 0.916 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CCN1CC=CCC1 ZINC001541681564 1071856461 /nfs/dbraw/zinc/85/64/61/1071856461.db2.gz TXVDFSDHBHEISI-GOSISDBHSA-N 0 1 428.541 0.780 20 0 ICADMN CC(C)NC(=O)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CCN1CC=CCC1 ZINC001541681565 1071856268 /nfs/dbraw/zinc/85/62/68/1071856268.db2.gz TXVDFSDHBHEISI-SFHVURJKSA-N 0 1 428.541 0.780 20 0 ICADMN CC(C)NC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001541699273 1071866101 /nfs/dbraw/zinc/86/61/01/1071866101.db2.gz OSOKLXOOMOAMEL-UHFFFAOYSA-N 0 1 438.540 0.976 20 0 ICADMN CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001541699628 1071866668 /nfs/dbraw/zinc/86/66/68/1071866668.db2.gz AQBFDIXZALRORC-UHFFFAOYSA-N 0 1 438.540 0.706 20 0 ICADMN CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)CC1 ZINC001541712042 1071875097 /nfs/dbraw/zinc/87/50/97/1071875097.db2.gz MROOKTOZIQUQNV-INIZCTEOSA-N 0 1 426.587 0.784 20 0 ICADMN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)CC1 ZINC001541712043 1071874981 /nfs/dbraw/zinc/87/49/81/1071874981.db2.gz MROOKTOZIQUQNV-MRXNPFEDSA-N 0 1 426.587 0.784 20 0 ICADMN C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001541812899 1071894073 /nfs/dbraw/zinc/89/40/73/1071894073.db2.gz LWOHWBMMZZDKBX-GLJUWKHASA-N 0 1 444.627 0.318 20 0 ICADMN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001541812900 1071894041 /nfs/dbraw/zinc/89/40/41/1071894041.db2.gz LWOHWBMMZZDKBX-HBUWYVDXSA-N 0 1 444.627 0.318 20 0 ICADMN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001541812901 1071893909 /nfs/dbraw/zinc/89/39/09/1071893909.db2.gz LWOHWBMMZZDKBX-LBTNJELSSA-N 0 1 444.627 0.318 20 0 ICADMN C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001541812902 1071893778 /nfs/dbraw/zinc/89/37/78/1071893778.db2.gz LWOHWBMMZZDKBX-QWQRMKEZSA-N 0 1 444.627 0.318 20 0 ICADMN C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)N(C)C ZINC001541837253 1071896197 /nfs/dbraw/zinc/89/61/97/1071896197.db2.gz WUAVXARQXKLQOX-CABCVRRESA-N 0 1 434.566 0.966 20 0 ICADMN C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)N(C)C ZINC001541837254 1071896223 /nfs/dbraw/zinc/89/62/23/1071896223.db2.gz WUAVXARQXKLQOX-GJZGRUSLSA-N 0 1 434.566 0.966 20 0 ICADMN C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C)N(C)C ZINC001541837255 1071896275 /nfs/dbraw/zinc/89/62/75/1071896275.db2.gz WUAVXARQXKLQOX-HUUCEWRRSA-N 0 1 434.566 0.966 20 0 ICADMN C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C)N(C)C ZINC001541837256 1071896355 /nfs/dbraw/zinc/89/63/55/1071896355.db2.gz WUAVXARQXKLQOX-LSDHHAIUSA-N 0 1 434.566 0.966 20 0 ICADMN C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C ZINC001541846551 1071896908 /nfs/dbraw/zinc/89/69/08/1071896908.db2.gz ATFCIRADKDVXBI-CYBMUJFWSA-N 0 1 438.554 0.969 20 0 ICADMN C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C ZINC001541846552 1071897069 /nfs/dbraw/zinc/89/70/69/1071897069.db2.gz ATFCIRADKDVXBI-ZDUSSCGKSA-N 0 1 438.554 0.969 20 0 ICADMN C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O)N(C)C ZINC001541847303 1071897119 /nfs/dbraw/zinc/89/71/19/1071897119.db2.gz RBLBDGKJMHQZCE-CYBMUJFWSA-N 0 1 426.543 0.827 20 0 ICADMN C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O)N(C)C ZINC001541847304 1071897260 /nfs/dbraw/zinc/89/72/60/1071897260.db2.gz RBLBDGKJMHQZCE-ZDUSSCGKSA-N 0 1 426.543 0.827 20 0 ICADMN C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001541853555 1071898379 /nfs/dbraw/zinc/89/83/79/1071898379.db2.gz JHNMFRLYZPFNCR-INIZCTEOSA-N 0 1 448.597 0.637 20 0 ICADMN C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001541853556 1071898430 /nfs/dbraw/zinc/89/84/30/1071898430.db2.gz JHNMFRLYZPFNCR-MRXNPFEDSA-N 0 1 448.597 0.637 20 0 ICADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)N(C)C ZINC001541855343 1071899674 /nfs/dbraw/zinc/89/96/74/1071899674.db2.gz HQDKTZBSPLGDIJ-CVEARBPZSA-N 0 1 434.570 0.247 20 0 ICADMN C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)N(C)C ZINC001541855344 1071899604 /nfs/dbraw/zinc/89/96/04/1071899604.db2.gz HQDKTZBSPLGDIJ-HOTGVXAUSA-N 0 1 434.570 0.247 20 0 ICADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)N(C)C ZINC001541855345 1071899945 /nfs/dbraw/zinc/89/99/45/1071899945.db2.gz HQDKTZBSPLGDIJ-HZPDHXFCSA-N 0 1 434.570 0.247 20 0 ICADMN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1)N(C)C ZINC001541855346 1071899836 /nfs/dbraw/zinc/89/98/36/1071899836.db2.gz HQDKTZBSPLGDIJ-JKSUJKDBSA-N 0 1 434.570 0.247 20 0 ICADMN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C ZINC001541855351 1071899895 /nfs/dbraw/zinc/89/98/95/1071899895.db2.gz HSGITRMMKNTRGK-DLBZAZTESA-N 0 1 442.630 0.677 20 0 ICADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C ZINC001541855352 1071899789 /nfs/dbraw/zinc/89/97/89/1071899789.db2.gz HSGITRMMKNTRGK-IAGOWNOFSA-N 0 1 442.630 0.677 20 0 ICADMN C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C ZINC001541855353 1071899462 /nfs/dbraw/zinc/89/94/62/1071899462.db2.gz HSGITRMMKNTRGK-IRXDYDNUSA-N 0 1 442.630 0.677 20 0 ICADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1)N(C)C ZINC001541855354 1071899438 /nfs/dbraw/zinc/89/94/38/1071899438.db2.gz HSGITRMMKNTRGK-SJORKVTESA-N 0 1 442.630 0.677 20 0 ICADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)N(C)C ZINC001541855723 1071900370 /nfs/dbraw/zinc/90/03/70/1071900370.db2.gz LZWNPXNXJJFNOD-BRWVUGGUSA-N 0 1 438.598 0.722 20 0 ICADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1)N(C)C ZINC001541855724 1071900415 /nfs/dbraw/zinc/90/04/15/1071900415.db2.gz LZWNPXNXJJFNOD-IKGGRYGDSA-N 0 1 438.598 0.722 20 0 ICADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)N(C)C ZINC001541855725 1071900282 /nfs/dbraw/zinc/90/02/82/1071900282.db2.gz LZWNPXNXJJFNOD-IXDOHACOSA-N 0 1 438.598 0.722 20 0 ICADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1)N(C)C ZINC001541855726 1071900226 /nfs/dbraw/zinc/90/02/26/1071900226.db2.gz LZWNPXNXJJFNOD-ZACQAIPSSA-N 0 1 438.598 0.722 20 0 ICADMN C[C@H](Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O)CN1CCOCC1 ZINC001541879327 1071903587 /nfs/dbraw/zinc/90/35/87/1071903587.db2.gz SDYCEBHYPCHITD-KRWDZBQOSA-N 0 1 436.582 0.899 20 0 ICADMN C[C@@H](Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O)CN1CCOCC1 ZINC001541879328 1071903743 /nfs/dbraw/zinc/90/37/43/1071903743.db2.gz SDYCEBHYPCHITD-QGZVFWFLSA-N 0 1 436.582 0.899 20 0 ICADMN CC(C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)CN1CCOCC1 ZINC001541879387 1071903634 /nfs/dbraw/zinc/90/36/34/1071903634.db2.gz SSPZAAOHWQXGNC-INIZCTEOSA-N 0 1 433.557 0.890 20 0 ICADMN CC(C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C)CN1CCOCC1 ZINC001541879388 1071903600 /nfs/dbraw/zinc/90/36/00/1071903600.db2.gz SSPZAAOHWQXGNC-MRXNPFEDSA-N 0 1 433.557 0.890 20 0 ICADMN C[C@H](Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541879907 1071903646 /nfs/dbraw/zinc/90/36/46/1071903646.db2.gz CFKRBIOTLKOZAR-INIZCTEOSA-N 0 1 440.614 0.889 20 0 ICADMN C[C@@H](Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541879908 1071904206 /nfs/dbraw/zinc/90/42/06/1071904206.db2.gz CFKRBIOTLKOZAR-MRXNPFEDSA-N 0 1 440.614 0.889 20 0 ICADMN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1)CN1CCOCC1 ZINC001541880271 1071904167 /nfs/dbraw/zinc/90/41/67/1071904167.db2.gz JVIPGPPBJIGZNF-INIZCTEOSA-N 0 1 431.541 0.712 20 0 ICADMN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1)CN1CCOCC1 ZINC001541880272 1071904121 /nfs/dbraw/zinc/90/41/21/1071904121.db2.gz JVIPGPPBJIGZNF-MRXNPFEDSA-N 0 1 431.541 0.712 20 0 ICADMN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O)CN1CCOCC1 ZINC001541880277 1071904256 /nfs/dbraw/zinc/90/42/56/1071904256.db2.gz JYLADMJUTIJPFU-HNNXBMFYSA-N 0 1 425.559 0.227 20 0 ICADMN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O)CN1CCOCC1 ZINC001541880278 1071904129 /nfs/dbraw/zinc/90/41/29/1071904129.db2.gz JYLADMJUTIJPFU-OAHLLOKOSA-N 0 1 425.559 0.227 20 0 ICADMN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541880697 1071904159 /nfs/dbraw/zinc/90/41/59/1071904159.db2.gz QHBZZTTZCFIRGT-INIZCTEOSA-N 0 1 437.570 0.323 20 0 ICADMN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541880698 1071904231 /nfs/dbraw/zinc/90/42/31/1071904231.db2.gz QHBZZTTZCFIRGT-MRXNPFEDSA-N 0 1 437.570 0.323 20 0 ICADMN C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)CN1CCOCC1 ZINC001541881001 1071904734 /nfs/dbraw/zinc/90/47/34/1071904734.db2.gz WIRKKLIMYVFODA-INIZCTEOSA-N 0 1 446.556 0.118 20 0 ICADMN C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)CN1CCOCC1 ZINC001541881002 1071904713 /nfs/dbraw/zinc/90/47/13/1071904713.db2.gz WIRKKLIMYVFODA-MRXNPFEDSA-N 0 1 446.556 0.118 20 0 ICADMN C[C@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541881039 1071904752 /nfs/dbraw/zinc/90/47/52/1071904752.db2.gz WWYRMXINCXCNMX-HNNXBMFYSA-N 0 1 426.587 0.642 20 0 ICADMN C[C@@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541881040 1071904673 /nfs/dbraw/zinc/90/46/73/1071904673.db2.gz WWYRMXINCXCNMX-OAHLLOKOSA-N 0 1 426.587 0.642 20 0 ICADMN C[C@H](Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541882191 1071904704 /nfs/dbraw/zinc/90/47/04/1071904704.db2.gz SJJXKJVSTPJQSL-KRWDZBQOSA-N 0 1 440.614 0.671 20 0 ICADMN C[C@@H](Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001541882192 1071905178 /nfs/dbraw/zinc/90/51/78/1071905178.db2.gz SJJXKJVSTPJQSL-QGZVFWFLSA-N 0 1 440.614 0.671 20 0 ICADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1CCCO ZINC001541891781 1071907181 /nfs/dbraw/zinc/90/71/81/1071907181.db2.gz 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0 ICADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 ZINC001541892053 1071907044 /nfs/dbraw/zinc/90/70/44/1071907044.db2.gz UCCDYHLTFVKLCB-HZPDHXFCSA-N 0 1 442.586 0.211 20 0 ICADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 ZINC001541892054 1071907091 /nfs/dbraw/zinc/90/70/91/1071907091.db2.gz UCCDYHLTFVKLCB-JKSUJKDBSA-N 0 1 442.586 0.211 20 0 ICADMN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN1CCSCC1 ZINC001541915975 1071915841 /nfs/dbraw/zinc/91/58/41/1071915841.db2.gz ZGAUIARPRXAGOK-CABCVRRESA-N 0 1 432.616 0.410 20 0 ICADMN C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN1CCSCC1 ZINC001541915976 1071915880 /nfs/dbraw/zinc/91/58/80/1071915880.db2.gz ZGAUIARPRXAGOK-GJZGRUSLSA-N 0 1 432.616 0.410 20 0 ICADMN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1CCN1CCSCC1 ZINC001541915977 1071915924 /nfs/dbraw/zinc/91/59/24/1071915924.db2.gz ZGAUIARPRXAGOK-HUUCEWRRSA-N 0 1 432.616 0.410 20 0 ICADMN C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCOC2)n1CCN1CCSCC1 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CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001547708455 1072334607 /nfs/dbraw/zinc/33/46/07/1072334607.db2.gz NOGZBRLCWYNOGJ-OAHLLOKOSA-N 0 1 426.525 0.982 20 0 ICADMN CCN1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001547711402 1072334584 /nfs/dbraw/zinc/33/45/84/1072334584.db2.gz GDPVBGIMFWSVOF-INIZCTEOSA-N 0 1 434.566 0.810 20 0 ICADMN CCN1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001547711403 1072335181 /nfs/dbraw/zinc/33/51/81/1072335181.db2.gz GDPVBGIMFWSVOF-MRXNPFEDSA-N 0 1 434.566 0.810 20 0 ICADMN CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547711488 1072334970 /nfs/dbraw/zinc/33/49/70/1072334970.db2.gz HTINGFMBFNNGIK-INIZCTEOSA-N 0 1 438.540 0.977 20 0 ICADMN CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C[C@H]1C ZINC001547711491 1072335027 /nfs/dbraw/zinc/33/50/27/1072335027.db2.gz HTINGFMBFNNGIK-MRXNPFEDSA-N 0 1 438.540 0.977 20 0 ICADMN CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@@H]1C ZINC001547713040 1072335235 /nfs/dbraw/zinc/33/52/35/1072335235.db2.gz ALPLASQCQKFYBL-HNNXBMFYSA-N 0 1 448.597 0.905 20 0 ICADMN CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C[C@H]1C ZINC001547713041 1072335168 /nfs/dbraw/zinc/33/51/68/1072335168.db2.gz ALPLASQCQKFYBL-OAHLLOKOSA-N 0 1 448.597 0.905 20 0 ICADMN CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@@H]1C ZINC001547713758 1072335288 /nfs/dbraw/zinc/33/52/88/1072335288.db2.gz GOLGQKAUMSOFIE-HNNXBMFYSA-N 0 1 438.536 0.811 20 0 ICADMN CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(=O)N(C)C)C[C@H]1C ZINC001547713759 1072335147 /nfs/dbraw/zinc/33/51/47/1072335147.db2.gz GOLGQKAUMSOFIE-OAHLLOKOSA-N 0 1 438.536 0.811 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716152 1072334997 /nfs/dbraw/zinc/33/49/97/1072334997.db2.gz RRBLTWANWIVSQC-CABCVRRESA-N 0 1 427.575 0.087 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716155 1072335947 /nfs/dbraw/zinc/33/59/47/1072335947.db2.gz RRBLTWANWIVSQC-GJZGRUSLSA-N 0 1 427.575 0.087 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001547716157 1072335840 /nfs/dbraw/zinc/33/58/40/1072335840.db2.gz RRBLTWANWIVSQC-HUUCEWRRSA-N 0 1 427.575 0.087 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001547716159 1072335670 /nfs/dbraw/zinc/33/56/70/1072335670.db2.gz RRBLTWANWIVSQC-LSDHHAIUSA-N 0 1 427.575 0.087 20 0 ICADMN CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547717103 1072335924 /nfs/dbraw/zinc/33/59/24/1072335924.db2.gz GMOUYORFAOEECI-KRWDZBQOSA-N 0 1 438.602 0.609 20 0 ICADMN CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547717115 1072335731 /nfs/dbraw/zinc/33/57/31/1072335731.db2.gz GMOUYORFAOEECI-QGZVFWFLSA-N 0 1 438.602 0.609 20 0 ICADMN CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001547718196 1072335979 /nfs/dbraw/zinc/33/59/79/1072335979.db2.gz MJSCKXSHHUROMB-INIZCTEOSA-N 0 1 446.581 0.596 20 0 ICADMN CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001547718197 1072335690 /nfs/dbraw/zinc/33/56/90/1072335690.db2.gz MJSCKXSHHUROMB-MRXNPFEDSA-N 0 1 446.581 0.596 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719202 1072336035 /nfs/dbraw/zinc/33/60/35/1072336035.db2.gz PMKHLTZFXUDDHR-DOTOQJQBSA-N 0 1 426.587 0.942 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719203 1072335878 /nfs/dbraw/zinc/33/58/78/1072335878.db2.gz PMKHLTZFXUDDHR-NVXWUHKLSA-N 0 1 426.587 0.942 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@@H]1C ZINC001547719204 1072335754 /nfs/dbraw/zinc/33/57/54/1072335754.db2.gz PMKHLTZFXUDDHR-RDJZCZTQSA-N 0 1 426.587 0.942 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C[C@H]1C ZINC001547719205 1072336140 /nfs/dbraw/zinc/33/61/40/1072336140.db2.gz PMKHLTZFXUDDHR-WBVHZDCISA-N 0 1 426.587 0.942 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719986 1072335901 /nfs/dbraw/zinc/33/59/01/1072335901.db2.gz UASYLCBDMJBRPO-DOTOQJQBSA-N 0 1 438.554 0.783 20 0 ICADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719987 1072336739 /nfs/dbraw/zinc/33/67/39/1072336739.db2.gz UASYLCBDMJBRPO-NVXWUHKLSA-N 0 1 438.554 0.783 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@@H]1C ZINC001547719988 1072336609 /nfs/dbraw/zinc/33/66/09/1072336609.db2.gz UASYLCBDMJBRPO-RDJZCZTQSA-N 0 1 438.554 0.783 20 0 ICADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C[C@H]1C ZINC001547719989 1072336821 /nfs/dbraw/zinc/33/68/21/1072336821.db2.gz UASYLCBDMJBRPO-WBVHZDCISA-N 0 1 438.554 0.783 20 0 ICADMN CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001547721762 1072336901 /nfs/dbraw/zinc/33/69/01/1072336901.db2.gz BEZFMCRJYIAFOY-GOSISDBHSA-N 0 1 446.600 0.209 20 0 ICADMN CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001547721763 1072336506 /nfs/dbraw/zinc/33/65/06/1072336506.db2.gz BEZFMCRJYIAFOY-SFHVURJKSA-N 0 1 446.600 0.209 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722046 1072336755 /nfs/dbraw/zinc/33/67/55/1072336755.db2.gz IQNBDRGZJPCLHV-HTAPYJJXSA-N 0 1 446.600 0.111 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722047 1072336467 /nfs/dbraw/zinc/33/64/67/1072336467.db2.gz IQNBDRGZJPCLHV-JTSKRJEESA-N 0 1 446.600 0.111 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722048 1072336784 /nfs/dbraw/zinc/33/67/84/1072336784.db2.gz IQNBDRGZJPCLHV-VGOFRKELSA-N 0 1 446.600 0.111 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722049 1072336631 /nfs/dbraw/zinc/33/66/31/1072336631.db2.gz IQNBDRGZJPCLHV-VGSWGCGISA-N 0 1 446.600 0.111 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722204 1072336870 /nfs/dbraw/zinc/33/68/70/1072336870.db2.gz LYJWWZRUXQTJJH-GOSISDBHSA-N 0 1 433.601 0.938 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722205 1072336532 /nfs/dbraw/zinc/33/65/32/1072336532.db2.gz LYJWWZRUXQTJJH-SFHVURJKSA-N 0 1 433.601 0.938 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722759 1072336660 /nfs/dbraw/zinc/33/66/60/1072336660.db2.gz XSDKKKNCVAKCDW-GOSISDBHSA-N 0 1 448.616 0.547 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722761 1072336704 /nfs/dbraw/zinc/33/67/04/1072336704.db2.gz XSDKKKNCVAKCDW-SFHVURJKSA-N 0 1 448.616 0.547 20 0 ICADMN CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547722795 1072337717 /nfs/dbraw/zinc/33/77/17/1072337717.db2.gz YERUMVNUJHKFKT-AOIWGVFYSA-N 0 1 436.557 0.391 20 0 ICADMN CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547722797 1072337178 /nfs/dbraw/zinc/33/71/78/1072337178.db2.gz YERUMVNUJHKFKT-LNLFQRSKSA-N 0 1 436.557 0.391 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724342 1072337768 /nfs/dbraw/zinc/33/77/68/1072337768.db2.gz QAEXNHLBJBEWDN-CVEARBPZSA-N 0 1 441.527 0.727 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724348 1072337794 /nfs/dbraw/zinc/33/77/94/1072337794.db2.gz QAEXNHLBJBEWDN-HOTGVXAUSA-N 0 1 441.527 0.727 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724350 1072337282 /nfs/dbraw/zinc/33/72/82/1072337282.db2.gz QAEXNHLBJBEWDN-HZPDHXFCSA-N 0 1 441.527 0.727 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)C2)CC1 ZINC001547724351 1072337654 /nfs/dbraw/zinc/33/76/54/1072337654.db2.gz QAEXNHLBJBEWDN-JKSUJKDBSA-N 0 1 441.527 0.727 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@@](=O)CC)C2)CC1 ZINC001547724602 1072338070 /nfs/dbraw/zinc/33/80/70/1072338070.db2.gz RTHDHZMYWNVPQW-GAEBUCLRSA-N 0 1 437.614 0.214 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@](=O)CC)C2)CC1 ZINC001547724603 1072338261 /nfs/dbraw/zinc/33/82/61/1072338261.db2.gz RTHDHZMYWNVPQW-OTLZBWLZSA-N 0 1 437.614 0.214 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@@](=O)CC)C2)CC1 ZINC001547724604 1072338244 /nfs/dbraw/zinc/33/82/44/1072338244.db2.gz RTHDHZMYWNVPQW-QRYFSLSHSA-N 0 1 437.614 0.214 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@](=O)CC)C2)CC1 ZINC001547724605 1072338096 /nfs/dbraw/zinc/33/80/96/1072338096.db2.gz RTHDHZMYWNVPQW-ZJFXZWFHSA-N 0 1 437.614 0.214 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724622 1072338279 /nfs/dbraw/zinc/33/82/79/1072338279.db2.gz SDTAUHKUZVXEJI-MSOLQXFVSA-N 0 1 440.614 0.781 20 0 ICADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724623 1072338058 /nfs/dbraw/zinc/33/80/58/1072338058.db2.gz SDTAUHKUZVXEJI-QZTJIDSGSA-N 0 1 440.614 0.781 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724624 1072338116 /nfs/dbraw/zinc/33/81/16/1072338116.db2.gz SDTAUHKUZVXEJI-ROUUACIJSA-N 0 1 440.614 0.781 20 0 ICADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001547724625 1072338224 /nfs/dbraw/zinc/33/82/24/1072338224.db2.gz SDTAUHKUZVXEJI-ZWKOTPCHSA-N 0 1 440.614 0.781 20 0 ICADMN CCN1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547728229 1072339003 /nfs/dbraw/zinc/33/90/03/1072339003.db2.gz NKLUFFOSZQDFIH-GOSISDBHSA-N 0 1 449.625 0.792 20 0 ICADMN CCN1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547728231 1072339417 /nfs/dbraw/zinc/33/94/17/1072339417.db2.gz NKLUFFOSZQDFIH-SFHVURJKSA-N 0 1 449.625 0.792 20 0 ICADMN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731823 1072341084 /nfs/dbraw/zinc/34/10/84/1072341084.db2.gz TUOJAHVSYCRPMA-MSOLQXFVSA-N 0 1 440.614 0.290 20 0 ICADMN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731825 1072340968 /nfs/dbraw/zinc/34/09/68/1072340968.db2.gz TUOJAHVSYCRPMA-QZTJIDSGSA-N 0 1 440.614 0.290 20 0 ICADMN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731827 1072341024 /nfs/dbraw/zinc/34/10/24/1072341024.db2.gz TUOJAHVSYCRPMA-ROUUACIJSA-N 0 1 440.614 0.290 20 0 ICADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547731828 1072340952 /nfs/dbraw/zinc/34/09/52/1072340952.db2.gz TUOJAHVSYCRPMA-ZWKOTPCHSA-N 0 1 440.614 0.290 20 0 ICADMN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547732639 1072340998 /nfs/dbraw/zinc/34/09/98/1072340998.db2.gz UESGPCDOURRNLI-QZTJIDSGSA-N 0 1 440.614 0.638 20 0 ICADMN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547732640 1072340824 /nfs/dbraw/zinc/34/08/24/1072340824.db2.gz UESGPCDOURRNLI-ZWKOTPCHSA-N 0 1 440.614 0.638 20 0 ICADMN CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 ZINC001547741342 1072344035 /nfs/dbraw/zinc/34/40/35/1072344035.db2.gz BWPOFEBVXKFOAS-HNNXBMFYSA-N 0 1 443.618 0.581 20 0 ICADMN CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 ZINC001547741343 1072344124 /nfs/dbraw/zinc/34/41/24/1072344124.db2.gz BWPOFEBVXKFOAS-OAHLLOKOSA-N 0 1 443.618 0.581 20 0 ICADMN CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001547765133 1072349504 /nfs/dbraw/zinc/34/95/04/1072349504.db2.gz JPWJRZVLSJSWRR-GOSISDBHSA-N 0 1 444.584 0.500 20 0 ICADMN CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001547765134 1072349529 /nfs/dbraw/zinc/34/95/29/1072349529.db2.gz JPWJRZVLSJSWRR-SFHVURJKSA-N 0 1 444.584 0.500 20 0 ICADMN CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)CC1 ZINC001547767530 1072352500 /nfs/dbraw/zinc/35/25/00/1072352500.db2.gz PXGXEXKABSJPLT-IBGZPJMESA-N 0 1 449.600 0.153 20 0 ICADMN CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCOCC2)CC1 ZINC001547767534 1072352304 /nfs/dbraw/zinc/35/23/04/1072352304.db2.gz PXGXEXKABSJPLT-LJQANCHMSA-N 0 1 449.600 0.153 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 ZINC001547774635 1072356879 /nfs/dbraw/zinc/35/68/79/1072356879.db2.gz ZVKGVYADVRKKLS-HNNXBMFYSA-N 0 1 436.586 0.130 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 ZINC001547774640 1072356969 /nfs/dbraw/zinc/35/69/69/1072356969.db2.gz ZVKGVYADVRKKLS-OAHLLOKOSA-N 0 1 436.586 0.130 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)CC1 ZINC001547774828 1072357022 /nfs/dbraw/zinc/35/70/22/1072357022.db2.gz KRACQSSIRFWVKM-INIZCTEOSA-N 0 1 441.602 0.372 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)CC1 ZINC001547774829 1072357450 /nfs/dbraw/zinc/35/74/50/1072357450.db2.gz KRACQSSIRFWVKM-MRXNPFEDSA-N 0 1 441.602 0.372 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001547775033 1072357331 /nfs/dbraw/zinc/35/73/31/1072357331.db2.gz PCHOMEDRYMTAJV-MOPGFXCFSA-N 0 1 449.600 0.990 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001547775034 1072357379 /nfs/dbraw/zinc/35/73/79/1072357379.db2.gz PCHOMEDRYMTAJV-OALUTQOASA-N 0 1 449.600 0.990 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001547775035 1072357568 /nfs/dbraw/zinc/35/75/68/1072357568.db2.gz PCHOMEDRYMTAJV-RBUKOAKNSA-N 0 1 449.600 0.990 20 0 ICADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001547775036 1072357601 /nfs/dbraw/zinc/35/76/01/1072357601.db2.gz PCHOMEDRYMTAJV-RTBURBONSA-N 0 1 449.600 0.990 20 0 ICADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001547783413 1072361851 /nfs/dbraw/zinc/36/18/51/1072361851.db2.gz ABRJTIJHKOODPR-CABCVRRESA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001547783413 1072361847 /nfs/dbraw/zinc/36/18/47/1072361847.db2.gz ABRJTIJHKOODPR-CABCVRRESA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001547783416 1072361788 /nfs/dbraw/zinc/36/17/88/1072361788.db2.gz ABRJTIJHKOODPR-GJZGRUSLSA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001547783416 1072361777 /nfs/dbraw/zinc/36/17/77/1072361777.db2.gz ABRJTIJHKOODPR-GJZGRUSLSA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001547783418 1072361730 /nfs/dbraw/zinc/36/17/30/1072361730.db2.gz ABRJTIJHKOODPR-HUUCEWRRSA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001547783418 1072361718 /nfs/dbraw/zinc/36/17/18/1072361718.db2.gz ABRJTIJHKOODPR-HUUCEWRRSA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001547783420 1072361694 /nfs/dbraw/zinc/36/16/94/1072361694.db2.gz ABRJTIJHKOODPR-LSDHHAIUSA-N 0 1 438.558 0.359 20 0 ICADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001547783420 1072361683 /nfs/dbraw/zinc/36/16/83/1072361683.db2.gz ABRJTIJHKOODPR-LSDHHAIUSA-N 0 1 438.558 0.359 20 0 ICADMN CCOC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001547797065 1072366887 /nfs/dbraw/zinc/36/68/87/1072366887.db2.gz JRVPMEFVMNDODM-KRWDZBQOSA-N 0 1 446.556 0.925 20 0 ICADMN CCOC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001547797066 1072366841 /nfs/dbraw/zinc/36/68/41/1072366841.db2.gz JRVPMEFVMNDODM-QGZVFWFLSA-N 0 1 446.556 0.925 20 0 ICADMN CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 ZINC001547798169 1072367291 /nfs/dbraw/zinc/36/72/91/1072367291.db2.gz LOYYHZJRUNUYOR-HNNXBMFYSA-N 0 1 437.570 0.557 20 0 ICADMN CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCSCC2)CC1 ZINC001547798171 1072367405 /nfs/dbraw/zinc/36/74/05/1072367405.db2.gz LOYYHZJRUNUYOR-OAHLLOKOSA-N 0 1 437.570 0.557 20 0 ICADMN CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nnc(C)[nH]2)C1 ZINC001547815860 1072368799 /nfs/dbraw/zinc/36/87/99/1072368799.db2.gz BBCFDLVOEDOOSV-HNNXBMFYSA-N 0 1 445.528 0.785 20 0 ICADMN CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C)n[nH]2)C1 ZINC001547815860 1072368791 /nfs/dbraw/zinc/36/87/91/1072368791.db2.gz BBCFDLVOEDOOSV-HNNXBMFYSA-N 0 1 445.528 0.785 20 0 ICADMN CCOC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nnc(C)[nH]2)C1 ZINC001547815861 1072368947 /nfs/dbraw/zinc/36/89/47/1072368947.db2.gz BBCFDLVOEDOOSV-OAHLLOKOSA-N 0 1 445.528 0.785 20 0 ICADMN CCOC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C)n[nH]2)C1 ZINC001547815861 1072368940 /nfs/dbraw/zinc/36/89/40/1072368940.db2.gz BBCFDLVOEDOOSV-OAHLLOKOSA-N 0 1 445.528 0.785 20 0 ICADMN CCO[C@@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547855020 1072369816 /nfs/dbraw/zinc/36/98/16/1072369816.db2.gz GQDWRHAIUQBRSB-ACJLOTCBSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547855020 1072369814 /nfs/dbraw/zinc/36/98/14/1072369814.db2.gz GQDWRHAIUQBRSB-ACJLOTCBSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547855021 1072369979 /nfs/dbraw/zinc/36/99/79/1072369979.db2.gz GQDWRHAIUQBRSB-FZKQIMNGSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547855021 1072369971 /nfs/dbraw/zinc/36/99/71/1072369971.db2.gz GQDWRHAIUQBRSB-FZKQIMNGSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547855022 1072370042 /nfs/dbraw/zinc/37/00/42/1072370042.db2.gz GQDWRHAIUQBRSB-SCLBCKFNSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547855022 1072370035 /nfs/dbraw/zinc/37/00/35/1072370035.db2.gz GQDWRHAIUQBRSB-SCLBCKFNSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547855023 1072369909 /nfs/dbraw/zinc/36/99/09/1072369909.db2.gz GQDWRHAIUQBRSB-UGSOOPFHSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547855023 1072369891 /nfs/dbraw/zinc/36/98/91/1072369891.db2.gz GQDWRHAIUQBRSB-UGSOOPFHSA-N 0 1 441.558 0.469 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547886997 1072376399 /nfs/dbraw/zinc/37/63/99/1072376399.db2.gz XLNUDRSSJMIEHU-FQEVSTJZSA-N 0 1 433.513 0.989 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547886997 1072376388 /nfs/dbraw/zinc/37/63/88/1072376388.db2.gz XLNUDRSSJMIEHU-FQEVSTJZSA-N 0 1 433.513 0.989 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547886999 1072376318 /nfs/dbraw/zinc/37/63/18/1072376318.db2.gz XLNUDRSSJMIEHU-HXUWFJFHSA-N 0 1 433.513 0.989 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547886999 1072376307 /nfs/dbraw/zinc/37/63/07/1072376307.db2.gz XLNUDRSSJMIEHU-HXUWFJFHSA-N 0 1 433.513 0.989 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547905521 1072382541 /nfs/dbraw/zinc/38/25/41/1072382541.db2.gz WYXSYBPODGTTEK-JXFKEZNVSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547905521 1072382536 /nfs/dbraw/zinc/38/25/36/1072382536.db2.gz WYXSYBPODGTTEK-JXFKEZNVSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547905522 1072382482 /nfs/dbraw/zinc/38/24/82/1072382482.db2.gz WYXSYBPODGTTEK-OXJNMPFZSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547905522 1072382479 /nfs/dbraw/zinc/38/24/79/1072382479.db2.gz WYXSYBPODGTTEK-OXJNMPFZSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547905523 1072382432 /nfs/dbraw/zinc/38/24/32/1072382432.db2.gz WYXSYBPODGTTEK-OXQOHEQNSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547905523 1072382423 /nfs/dbraw/zinc/38/24/23/1072382423.db2.gz WYXSYBPODGTTEK-OXQOHEQNSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547905524 1072382395 /nfs/dbraw/zinc/38/23/95/1072382395.db2.gz WYXSYBPODGTTEK-UZLBHIALSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547905524 1072382391 /nfs/dbraw/zinc/38/23/91/1072382391.db2.gz WYXSYBPODGTTEK-UZLBHIALSA-N 0 1 432.529 0.704 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547911705 1072384779 /nfs/dbraw/zinc/38/47/79/1072384779.db2.gz HDMBFZBMGZEGTG-IBGZPJMESA-N 0 1 434.501 0.488 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547911705 1072384771 /nfs/dbraw/zinc/38/47/71/1072384771.db2.gz HDMBFZBMGZEGTG-IBGZPJMESA-N 0 1 434.501 0.488 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001547911706 1072384827 /nfs/dbraw/zinc/38/48/27/1072384827.db2.gz HDMBFZBMGZEGTG-LJQANCHMSA-N 0 1 434.501 0.488 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001547911706 1072384815 /nfs/dbraw/zinc/38/48/15/1072384815.db2.gz HDMBFZBMGZEGTG-LJQANCHMSA-N 0 1 434.501 0.488 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547913287 1072385835 /nfs/dbraw/zinc/38/58/35/1072385835.db2.gz MBIQOTJBMXAZNS-IBGZPJMESA-N 0 1 430.500 0.842 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547913288 1072385691 /nfs/dbraw/zinc/38/56/91/1072385691.db2.gz MBIQOTJBMXAZNS-LJQANCHMSA-N 0 1 430.500 0.842 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2CCN2CCSCC2)CCOC1 ZINC001547913951 1072386104 /nfs/dbraw/zinc/38/61/04/1072386104.db2.gz XOMOQFXPMJOZLC-FQEVSTJZSA-N 0 1 438.598 0.648 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2CCN2CCSCC2)CCOC1 ZINC001547913953 1072386225 /nfs/dbraw/zinc/38/62/25/1072386225.db2.gz XOMOQFXPMJOZLC-HXUWFJFHSA-N 0 1 438.598 0.648 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916431 1072388043 /nfs/dbraw/zinc/38/80/43/1072388043.db2.gz ISTQMDYUVLROGV-DYESRHJHSA-N 0 1 438.573 0.565 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916432 1072387985 /nfs/dbraw/zinc/38/79/85/1072387985.db2.gz ISTQMDYUVLROGV-LAUBAEHRSA-N 0 1 438.573 0.565 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916433 1072388134 /nfs/dbraw/zinc/38/81/34/1072388134.db2.gz ISTQMDYUVLROGV-UTKZUKDTSA-N 0 1 438.573 0.565 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCC(=O)N(C)C)CCOC1 ZINC001547916434 1072388119 /nfs/dbraw/zinc/38/81/19/1072388119.db2.gz ISTQMDYUVLROGV-UWJYYQICSA-N 0 1 438.573 0.565 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CC4CC4)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547916989 1072388169 /nfs/dbraw/zinc/38/81/69/1072388169.db2.gz LXTZIHYFJOCQHG-FQEVSTJZSA-N 0 1 442.511 0.844 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CC4CC4)CC3)n2CC(=O)NCC(F)F)CCOC1 ZINC001547916990 1072388178 /nfs/dbraw/zinc/38/81/78/1072388178.db2.gz LXTZIHYFJOCQHG-HXUWFJFHSA-N 0 1 442.511 0.844 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917171 1072388490 /nfs/dbraw/zinc/38/84/90/1072388490.db2.gz NRNMTLFKIAWHHO-DYESRHJHSA-N 0 1 433.557 0.869 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917172 1072388560 /nfs/dbraw/zinc/38/85/60/1072388560.db2.gz NRNMTLFKIAWHHO-LAUBAEHRSA-N 0 1 433.557 0.869 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917173 1072388623 /nfs/dbraw/zinc/38/86/23/1072388623.db2.gz NRNMTLFKIAWHHO-UTKZUKDTSA-N 0 1 433.557 0.869 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2Cc2ccn(C)n2)CCOC1 ZINC001547917174 1072388658 /nfs/dbraw/zinc/38/86/58/1072388658.db2.gz NRNMTLFKIAWHHO-UWJYYQICSA-N 0 1 433.557 0.869 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918349 1072389912 /nfs/dbraw/zinc/38/99/12/1072389912.db2.gz UUMBERAWQCOVRO-DUXKGJEZSA-N 0 1 439.557 0.239 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918350 1072389968 /nfs/dbraw/zinc/38/99/68/1072389968.db2.gz UUMBERAWQCOVRO-DZFGPLHGSA-N 0 1 439.557 0.239 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2C[C@]2(O)CCOC2)CCOC1 ZINC001547918351 1072390156 /nfs/dbraw/zinc/39/01/56/1072390156.db2.gz UUMBERAWQCOVRO-IOMROCGXSA-N 0 1 439.557 0.239 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2C[C@@]2(O)CCOC2)CCOC1 ZINC001547918352 1072390043 /nfs/dbraw/zinc/39/00/43/1072390043.db2.gz UUMBERAWQCOVRO-JRGCBEDISA-N 0 1 439.557 0.239 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCC2)CCOC1 ZINC001547921731 1072391623 /nfs/dbraw/zinc/39/16/23/1072391623.db2.gz GBFCVFAYFJVQPQ-IBGZPJMESA-N 0 1 427.571 0.651 20 0 ICADMN CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCC2)CCOC1 ZINC001547921732 1072391611 /nfs/dbraw/zinc/39/16/11/1072391611.db2.gz GBFCVFAYFJVQPQ-LJQANCHMSA-N 0 1 427.571 0.651 20 0 ICADMN CCO[C@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCN2CCSCC2)CCOC1 ZINC001547927790 1072395560 /nfs/dbraw/zinc/39/55/60/1072395560.db2.gz XNLQUJQIROUEEL-FUHIMQAGSA-N 0 1 441.598 0.829 20 0 ICADMN CCO[C@@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CCN2CCSCC2)CCOC1 ZINC001547927791 1072395673 /nfs/dbraw/zinc/39/56/73/1072395673.db2.gz XNLQUJQIROUEEL-QKLQHJQFSA-N 0 1 441.598 0.829 20 0 ICADMN CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001548036100 1072398429 /nfs/dbraw/zinc/39/84/29/1072398429.db2.gz GOTBFSNHAZGFQT-BQJIDLTASA-N 0 1 438.573 0.503 20 0 ICADMN CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001548036101 1072398552 /nfs/dbraw/zinc/39/85/52/1072398552.db2.gz GOTBFSNHAZGFQT-ZGGTZUKQSA-N 0 1 438.573 0.503 20 0 ICADMN CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 ZINC001548079167 1072402900 /nfs/dbraw/zinc/40/29/00/1072402900.db2.gz KNYHLXQCWASTKL-DLBZAZTESA-N 0 1 429.587 0.939 20 0 ICADMN CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 ZINC001548079169 1072402852 /nfs/dbraw/zinc/40/28/52/1072402852.db2.gz KNYHLXQCWASTKL-IAGOWNOFSA-N 0 1 429.587 0.939 20 0 ICADMN CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 ZINC001548079171 1072402974 /nfs/dbraw/zinc/40/29/74/1072402974.db2.gz KNYHLXQCWASTKL-IRXDYDNUSA-N 0 1 429.587 0.939 20 0 ICADMN CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 ZINC001548079173 1072402881 /nfs/dbraw/zinc/40/28/81/1072402881.db2.gz KNYHLXQCWASTKL-SJORKVTESA-N 0 1 429.587 0.939 20 0 ICADMN CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCN1CC=CCC1 ZINC001548127032 1072408757 /nfs/dbraw/zinc/40/87/57/1072408757.db2.gz SSHVAEJFJBJRCJ-UHFFFAOYSA-N 0 1 426.587 0.842 20 0 ICADMN CCOCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCc1nnc(C)[nH]1 ZINC001548127550 1072408633 /nfs/dbraw/zinc/40/86/33/1072408633.db2.gz LKZHXTDCVJBJSJ-UHFFFAOYSA-N 0 1 440.574 0.734 20 0 ICADMN CCOCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCc1nc(C)n[nH]1 ZINC001548127550 1072408626 /nfs/dbraw/zinc/40/86/26/1072408626.db2.gz LKZHXTDCVJBJSJ-UHFFFAOYSA-N 0 1 440.574 0.734 20 0 ICADMN CCOCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCN1CCSCC1 ZINC001548127791 1072409263 /nfs/dbraw/zinc/40/92/63/1072409263.db2.gz QZQPLBGDXVUDPO-UHFFFAOYSA-N 0 1 446.643 0.724 20 0 ICADMN CCOCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131709 1072410358 /nfs/dbraw/zinc/41/03/58/1072410358.db2.gz UUMLBYZYSJGGOD-HNNXBMFYSA-N 0 1 429.516 0.412 20 0 ICADMN CCOCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC(=O)NCC(F)F ZINC001548131710 1072410392 /nfs/dbraw/zinc/41/03/92/1072410392.db2.gz UUMLBYZYSJGGOD-OAHLLOKOSA-N 0 1 429.516 0.412 20 0 ICADMN CCOCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001548136509 1072411648 /nfs/dbraw/zinc/41/16/48/1072411648.db2.gz ZMQLCWHDRWAYIW-DLBZAZTESA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001548136510 1072411664 /nfs/dbraw/zinc/41/16/64/1072411664.db2.gz ZMQLCWHDRWAYIW-IAGOWNOFSA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001548136511 1072411586 /nfs/dbraw/zinc/41/15/86/1072411586.db2.gz ZMQLCWHDRWAYIW-IRXDYDNUSA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001548136512 1072411501 /nfs/dbraw/zinc/41/15/01/1072411501.db2.gz ZMQLCWHDRWAYIW-SJORKVTESA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC(=O)N1CCOCC1 ZINC001548162917 1072415014 /nfs/dbraw/zinc/41/50/14/1072415014.db2.gz ATDGYLHWPDAROR-UHFFFAOYSA-N 0 1 446.556 0.119 20 0 ICADMN CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001548163774 1072415062 /nfs/dbraw/zinc/41/50/62/1072415062.db2.gz FLHWDIZJOBMGDN-KRWDZBQOSA-N 0 1 429.587 0.798 20 0 ICADMN CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001548163915 1072415041 /nfs/dbraw/zinc/41/50/41/1072415041.db2.gz QJMLGRFWBIMLAK-IBGZPJMESA-N 0 1 446.600 0.981 20 0 ICADMN CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001548163917 1072415025 /nfs/dbraw/zinc/41/50/25/1072415025.db2.gz QJMLGRFWBIMLAK-LJQANCHMSA-N 0 1 446.600 0.981 20 0 ICADMN CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001548164323 1072415069 /nfs/dbraw/zinc/41/50/69/1072415069.db2.gz WHSCNHNRUKVQSB-SFHVURJKSA-N 0 1 436.557 0.222 20 0 ICADMN CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CCNC(=O)C1CC1 ZINC001548164400 1072415077 /nfs/dbraw/zinc/41/50/77/1072415077.db2.gz XOZHWZDDRCBGKN-UHFFFAOYSA-N 0 1 430.557 0.787 20 0 ICADMN CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCN1CC=CCC1 ZINC001548166901 1072417378 /nfs/dbraw/zinc/41/73/78/1072417378.db2.gz IOPNTCWRHWZAIA-UHFFFAOYSA-N 0 1 447.584 0.057 20 0 ICADMN CCOCc1nnc(N2CCN(CC)[C@@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179400 1072421990 /nfs/dbraw/zinc/42/19/90/1072421990.db2.gz WECGECZHKBBSEG-INIZCTEOSA-N 0 1 446.643 0.724 20 0 ICADMN CCOCc1nnc(N2CCN(CC)[C@H](C)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001548179401 1072422073 /nfs/dbraw/zinc/42/20/73/1072422073.db2.gz WECGECZHKBBSEG-MRXNPFEDSA-N 0 1 446.643 0.724 20 0 ICADMN CCOCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181606 1072423088 /nfs/dbraw/zinc/42/30/88/1072423088.db2.gz PUFOXYIEHULGGT-MOPGFXCFSA-N 0 1 449.600 0.324 20 0 ICADMN CCOCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181608 1072423063 /nfs/dbraw/zinc/42/30/63/1072423063.db2.gz PUFOXYIEHULGGT-RTBURBONSA-N 0 1 449.600 0.324 20 0 ICADMN CCOCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182152 1072423518 /nfs/dbraw/zinc/42/35/18/1072423518.db2.gz VMWXYCUAHHWBKU-GOSISDBHSA-N 0 1 437.589 0.134 20 0 ICADMN CCOCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CC(=O)N(C)C ZINC001548182155 1072423503 /nfs/dbraw/zinc/42/35/03/1072423503.db2.gz VMWXYCUAHHWBKU-SFHVURJKSA-N 0 1 437.589 0.134 20 0 ICADMN CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001548182390 1072424054 /nfs/dbraw/zinc/42/40/54/1072424054.db2.gz IQXUIMFVKMYARF-BBWFWOEESA-N 0 1 435.573 0.916 20 0 ICADMN CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001548182395 1072423929 /nfs/dbraw/zinc/42/39/29/1072423929.db2.gz IQXUIMFVKMYARF-BRWVUGGUSA-N 0 1 435.573 0.916 20 0 ICADMN CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001548182397 1072424074 /nfs/dbraw/zinc/42/40/74/1072424074.db2.gz IQXUIMFVKMYARF-IXDOHACOSA-N 0 1 435.573 0.916 20 0 ICADMN CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001548182399 1072424023 /nfs/dbraw/zinc/42/40/23/1072424023.db2.gz IQXUIMFVKMYARF-YESZJQIVSA-N 0 1 435.573 0.916 20 0 ICADMN CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN1CCc2ccccc2C1 ZINC001548184754 1072426273 /nfs/dbraw/zinc/42/62/73/1072426273.db2.gz CCHMRRYCNYYNLK-IBGZPJMESA-N 0 1 428.537 0.824 20 0 ICADMN CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN1CCc2ccccc2C1 ZINC001548184755 1072426310 /nfs/dbraw/zinc/42/63/10/1072426310.db2.gz CCHMRRYCNYYNLK-LJQANCHMSA-N 0 1 428.537 0.824 20 0 ICADMN CCOCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 ZINC001548255201 1072432225 /nfs/dbraw/zinc/43/22/25/1072432225.db2.gz ZFYFFCVVSBTFOH-INIZCTEOSA-N 0 1 429.587 0.764 20 0 ICADMN CCOCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 ZINC001548255202 1072432180 /nfs/dbraw/zinc/43/21/80/1072432180.db2.gz ZFYFFCVVSBTFOH-MRXNPFEDSA-N 0 1 429.587 0.764 20 0 ICADMN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 ZINC001548273154 1072435040 /nfs/dbraw/zinc/43/50/40/1072435040.db2.gz PAQMWKVVIFDLFH-KRWDZBQOSA-N 0 1 442.586 0.180 20 0 ICADMN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 ZINC001548273155 1072434948 /nfs/dbraw/zinc/43/49/48/1072434948.db2.gz PAQMWKVVIFDLFH-QGZVFWFLSA-N 0 1 442.586 0.180 20 0 ICADMN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2COCCO2)C[C@@H]1CC ZINC001548284760 1072436929 /nfs/dbraw/zinc/43/69/29/1072436929.db2.gz PNWYNGFJBALAEB-KSZLIROESA-N 0 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COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C ZINC001555717738 1072851136 /nfs/dbraw/zinc/85/11/36/1072851136.db2.gz QOBXILXETXDVAC-RCCFBDPRSA-N 0 1 441.598 0.906 20 0 ICADMN COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001555723918 1072852883 /nfs/dbraw/zinc/85/28/83/1072852883.db2.gz XJIRLNMXCPEEDI-MSOLQXFVSA-N 0 1 436.557 0.441 20 0 ICADMN COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001555723919 1072853087 /nfs/dbraw/zinc/85/30/87/1072853087.db2.gz XJIRLNMXCPEEDI-QZTJIDSGSA-N 0 1 436.557 0.441 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C ZINC001555728643 1072854632 /nfs/dbraw/zinc/85/46/32/1072854632.db2.gz SNHUEXNGJXTKCM-FJIDUMEYSA-N 0 1 441.598 0.966 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C ZINC001555728646 1072854445 /nfs/dbraw/zinc/85/44/45/1072854445.db2.gz SNHUEXNGJXTKCM-MHORFTMASA-N 0 1 441.598 0.966 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C ZINC001555728647 1072854731 /nfs/dbraw/zinc/85/47/31/1072854731.db2.gz SNHUEXNGJXTKCM-MLHJIOFPSA-N 0 1 441.598 0.966 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C ZINC001555728650 1072854679 /nfs/dbraw/zinc/85/46/79/1072854679.db2.gz SNHUEXNGJXTKCM-XSLAGTTESA-N 0 1 441.598 0.966 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CCSCC1 ZINC001555740150 1072856866 /nfs/dbraw/zinc/85/68/66/1072856866.db2.gz KXPYDWWLHBJCJT-IRXDYDNUSA-N 0 1 438.598 0.753 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1CCc1nnc(C)[nH]1 ZINC001555741809 1072857826 /nfs/dbraw/zinc/85/78/26/1072857826.db2.gz CNKFTOORFJKVRK-YJBOKZPZSA-N 0 1 432.529 0.763 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1CCc1nc(C)n[nH]1 ZINC001555741809 1072857815 /nfs/dbraw/zinc/85/78/15/1072857815.db2.gz CNKFTOORFJKVRK-YJBOKZPZSA-N 0 1 432.529 0.763 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CCSCC1 ZINC001555748545 1072859105 /nfs/dbraw/zinc/85/91/05/1072859105.db2.gz XSGGDHLPKMHCDI-IKGGRYGDSA-N 0 1 438.598 0.753 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CCSCC1 ZINC001555748547 1072859429 /nfs/dbraw/zinc/85/94/29/1072859429.db2.gz XSGGDHLPKMHCDI-ULQDDVLXSA-N 0 1 438.598 0.753 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001555751308 1072859767 /nfs/dbraw/zinc/85/97/67/1072859767.db2.gz GNUSTMYASHRZSP-IRXDYDNUSA-N 0 1 444.602 0.424 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001555752150 1072860243 /nfs/dbraw/zinc/86/02/43/1072860243.db2.gz UPYDZCFUECYFOU-WMZOPIPTSA-N 0 1 446.556 0.686 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC3CC3)CC2)n1CCNS(C)(=O)=O ZINC001555752274 1072860398 /nfs/dbraw/zinc/86/03/98/1072860398.db2.gz BYYXNOZNXUBVRC-IRXDYDNUSA-N 0 1 442.586 0.083 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCNS(C)(=O)=O ZINC001555752535 1072860128 /nfs/dbraw/zinc/86/01/28/1072860128.db2.gz ANZAZTGHGCZLFO-BBWFWOEESA-N 0 1 442.586 0.226 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3CCCC[C@H]3C2)n1CCNS(C)(=O)=O ZINC001555752536 1072860200 /nfs/dbraw/zinc/86/02/00/1072860200.db2.gz ANZAZTGHGCZLFO-ULQDDVLXSA-N 0 1 442.586 0.226 20 0 ICADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1CCCCN1CCOCC1 ZINC001555758232 1072863400 /nfs/dbraw/zinc/86/34/00/1072863400.db2.gz YTJNBKGIIKJMMX-ROUUACIJSA-N 0 1 441.598 0.683 20 0 ICADMN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)C[C@@H]1OC ZINC001555788742 1072868182 /nfs/dbraw/zinc/86/81/82/1072868182.db2.gz FWDITIARLCYPSQ-LUKYLMHMSA-N 0 1 427.571 0.370 20 0 ICADMN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)C[C@@H]1OC ZINC001555788744 1072868295 /nfs/dbraw/zinc/86/82/95/1072868295.db2.gz FWDITIARLCYPSQ-TWMKSMIVSA-N 0 1 427.571 0.370 20 0 ICADMN CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C[C@@H]1OC ZINC001555788746 1072868256 /nfs/dbraw/zinc/86/82/56/1072868256.db2.gz FWDITIARLCYPSQ-VQHPVUNQSA-N 0 1 427.571 0.370 20 0 ICADMN CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C[C@@H]1OC ZINC001555788748 1072868162 /nfs/dbraw/zinc/86/81/62/1072868162.db2.gz FWDITIARLCYPSQ-VVLHAWIVSA-N 0 1 427.571 0.370 20 0 ICADMN CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN2CCCC2)c1 ZINC001555793473 1072870154 /nfs/dbraw/zinc/87/01/54/1072870154.db2.gz QVDCJEMVHBQMLC-INIZCTEOSA-N 0 1 432.550 0.756 20 0 ICADMN CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CCCC2)c1 ZINC001555793475 1072870259 /nfs/dbraw/zinc/87/02/59/1072870259.db2.gz QVDCJEMVHBQMLC-MRXNPFEDSA-N 0 1 432.550 0.756 20 0 ICADMN CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)C1 ZINC001555797272 1072871467 /nfs/dbraw/zinc/87/14/67/1072871467.db2.gz SQZZBSMDAURMCS-KRWDZBQOSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)C1 ZINC001555797275 1072871440 /nfs/dbraw/zinc/87/14/40/1072871440.db2.gz SQZZBSMDAURMCS-QGZVFWFLSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)C1 ZINC001555797436 1072871418 /nfs/dbraw/zinc/87/14/18/1072871418.db2.gz UWPRQRMBKYWJHV-MSOLQXFVSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)C1 ZINC001555797437 1072871621 /nfs/dbraw/zinc/87/16/21/1072871621.db2.gz UWPRQRMBKYWJHV-QZTJIDSGSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001555797438 1072871564 /nfs/dbraw/zinc/87/15/64/1072871564.db2.gz UWPRQRMBKYWJHV-ROUUACIJSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001555797439 1072871738 /nfs/dbraw/zinc/87/17/38/1072871738.db2.gz UWPRQRMBKYWJHV-ZWKOTPCHSA-N 0 1 434.566 0.810 20 0 ICADMN CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001555797550 1072872151 /nfs/dbraw/zinc/87/21/51/1072872151.db2.gz NRGSYXYVFCRKFE-FGTMMUONSA-N 0 1 441.598 0.642 20 0 ICADMN CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CCCO)C1 ZINC001555797551 1072872043 /nfs/dbraw/zinc/87/20/43/1072872043.db2.gz NRGSYXYVFCRKFE-KZNAEPCWSA-N 0 1 441.598 0.642 20 0 ICADMN CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001555797552 1072872123 /nfs/dbraw/zinc/87/21/23/1072872123.db2.gz NRGSYXYVFCRKFE-OKZBNKHCSA-N 0 1 441.598 0.642 20 0 ICADMN CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CCCO)C1 ZINC001555797553 1072872271 /nfs/dbraw/zinc/87/22/71/1072872271.db2.gz NRGSYXYVFCRKFE-RCCFBDPRSA-N 0 1 441.598 0.642 20 0 ICADMN CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001555805573 1072877985 /nfs/dbraw/zinc/87/79/85/1072877985.db2.gz YLPOJQBDXUWGIY-KRWDZBQOSA-N 0 1 438.598 0.900 20 0 ICADMN CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001555805574 1072878015 /nfs/dbraw/zinc/87/80/15/1072878015.db2.gz YLPOJQBDXUWGIY-QGZVFWFLSA-N 0 1 438.598 0.900 20 0 ICADMN CS(=O)(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCOCC2)CC1 ZINC001555810276 1072883469 /nfs/dbraw/zinc/88/34/69/1072883469.db2.gz BTODEOSMTGHBGA-UHFFFAOYSA-N 0 1 449.581 0.534 20 0 ICADMN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCOCC3)n2CCN2CC=CCC2)C1 ZINC001555812555 1072886808 /nfs/dbraw/zinc/88/68/08/1072886808.db2.gz GMVAZWYDBHAENQ-KRWDZBQOSA-N 0 1 440.570 0.100 20 0 ICADMN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCOCC3)n2CCN2CC=CCC2)C1 ZINC001555812556 1072886741 /nfs/dbraw/zinc/88/67/41/1072886741.db2.gz GMVAZWYDBHAENQ-QGZVFWFLSA-N 0 1 440.570 0.100 20 0 ICADMN CS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCSCC2)CC1 ZINC001555812652 1072886676 /nfs/dbraw/zinc/88/66/76/1072886676.db2.gz GIOWTAKGBIDPQX-UHFFFAOYSA-N 0 1 439.611 0.840 20 0 ICADMN CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN2CCSCC2)C1 ZINC001555815634 1072890790 /nfs/dbraw/zinc/89/07/90/1072890790.db2.gz OXBYECWYEOKXQM-HNNXBMFYSA-N 0 1 428.628 0.970 20 0 ICADMN CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCN2CCSCC2)C1 ZINC001555815635 1072890919 /nfs/dbraw/zinc/89/09/19/1072890919.db2.gz OXBYECWYEOKXQM-OAHLLOKOSA-N 0 1 428.628 0.970 20 0 ICADMN CS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2CCCCN2CCOCC2)CC1 ZINC001555815786 1072891407 /nfs/dbraw/zinc/89/14/07/1072891407.db2.gz RXRDBIZEMCUFCM-UHFFFAOYSA-N 0 1 440.614 0.861 20 0 ICADMN CS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2CCN2CCSCC2)CC1 ZINC001555815868 1072891180 /nfs/dbraw/zinc/89/11/80/1072891180.db2.gz UBISCHRVHFHFGO-UHFFFAOYSA-N 0 1 428.628 0.797 20 0 ICADMN CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)CC1 ZINC001555816612 1072891751 /nfs/dbraw/zinc/89/17/51/1072891751.db2.gz BEUJWMAOHGGTBO-UHFFFAOYSA-N 0 1 433.582 0.878 20 0 ICADMN CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001555817025 1072892237 /nfs/dbraw/zinc/89/22/37/1072892237.db2.gz IPMPDTSZCGBZJQ-GOSISDBHSA-N 0 1 433.582 0.878 20 0 ICADMN CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001555817026 1072892322 /nfs/dbraw/zinc/89/23/22/1072892322.db2.gz IPMPDTSZCGBZJQ-SFHVURJKSA-N 0 1 433.582 0.878 20 0 ICADMN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1O ZINC001555942936 1072903504 /nfs/dbraw/zinc/90/35/04/1072903504.db2.gz YDEPIIHJGVLZOO-BDXSIMOUSA-N 0 1 441.598 0.234 20 0 ICADMN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1O ZINC001555942937 1072903451 /nfs/dbraw/zinc/90/34/51/1072903451.db2.gz YDEPIIHJGVLZOO-OWSLCNJRSA-N 0 1 441.598 0.234 20 0 ICADMN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)C[C@@H]1O ZINC001555942938 1072903483 /nfs/dbraw/zinc/90/34/83/1072903483.db2.gz YDEPIIHJGVLZOO-TVFCKZIOSA-N 0 1 441.598 0.234 20 0 ICADMN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)C[C@@H]1O ZINC001555942939 1072903402 /nfs/dbraw/zinc/90/34/02/1072903402.db2.gz YDEPIIHJGVLZOO-XDNAFOTISA-N 0 1 441.598 0.234 20 0 ICADMN NC(=O)C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 ZINC001556004854 1072913219 /nfs/dbraw/zinc/91/32/19/1072913219.db2.gz QRIRTFTUVXEPCU-KRWDZBQOSA-N 0 1 428.541 0.939 20 0 ICADMN NC(=O)C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 ZINC001556004856 1072913226 /nfs/dbraw/zinc/91/32/26/1072913226.db2.gz QRIRTFTUVXEPCU-QGZVFWFLSA-N 0 1 428.541 0.939 20 0 ICADMN NC(=O)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 ZINC001556005717 1072913626 /nfs/dbraw/zinc/91/36/26/1072913626.db2.gz DITKQUSZUVFZMM-KRWDZBQOSA-N 0 1 433.557 0.433 20 0 ICADMN NC(=O)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 ZINC001556005718 1072913722 /nfs/dbraw/zinc/91/37/22/1072913722.db2.gz DITKQUSZUVFZMM-QGZVFWFLSA-N 0 1 433.557 0.433 20 0 ICADMN NC(=O)CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 ZINC001556007367 1072914078 /nfs/dbraw/zinc/91/40/78/1072914078.db2.gz NYFHOVQVHMAWRP-GOSISDBHSA-N 0 1 447.584 0.824 20 0 ICADMN NC(=O)CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 ZINC001556007368 1072914187 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Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@@H]3C2)cnn1C ZINC001611876717 1072861600 /nfs/dbraw/zinc/86/16/00/1072861600.db2.gz TVMVWRZRHCSAOT-WMLDXEAASA-N 0 1 436.586 0.653 20 0 ICADMN Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@H]3C2)cnn1C ZINC001611876718 1072861732 /nfs/dbraw/zinc/86/17/32/1072861732.db2.gz TVMVWRZRHCSAOT-YOEHRIQHSA-N 0 1 436.586 0.653 20 0 ICADMN Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3CCCCN3CCOCC3)CC2)no1 ZINC001611969433 1072864682 /nfs/dbraw/zinc/86/46/82/1072864682.db2.gz YVQSOPSGCILSIB-UHFFFAOYSA-N 0 1 446.556 0.756 20 0 ICADMN Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044004 1072866922 /nfs/dbraw/zinc/86/69/22/1072866922.db2.gz BASCOQFCJIMRLK-INIZCTEOSA-N 0 1 438.554 0.697 20 0 ICADMN Cc1ccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044005 1072867283 /nfs/dbraw/zinc/86/72/83/1072867283.db2.gz BASCOQFCJIMRLK-MRXNPFEDSA-N 0 1 438.554 0.697 20 0 ICADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CCNS(C)(=O)=O)o1 ZINC001612044259 1072867186 /nfs/dbraw/zinc/86/71/86/1072867186.db2.gz KGIABTBAPYMUPV-UHFFFAOYSA-N 0 1 440.570 0.943 20 0 ICADMN Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(O)CCN(C)C2)n1 ZINC001612207340 1072873389 /nfs/dbraw/zinc/87/33/89/1072873389.db2.gz UHJMBRDKYOWNHL-JXFKEZNVSA-N 0 1 434.566 0.729 20 0 ICADMN Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CCN(C)C2)n1 ZINC001612207341 1072873191 /nfs/dbraw/zinc/87/31/91/1072873191.db2.gz UHJMBRDKYOWNHL-OXJNMPFZSA-N 0 1 434.566 0.729 20 0 ICADMN Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@]2(O)CCN(C)C2)n1 ZINC001612207342 1072873292 /nfs/dbraw/zinc/87/32/92/1072873292.db2.gz UHJMBRDKYOWNHL-OXQOHEQNSA-N 0 1 434.566 0.729 20 0 ICADMN Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@]2(O)CCN(C)C2)n1 ZINC001612207343 1072873524 /nfs/dbraw/zinc/87/35/24/1072873524.db2.gz UHJMBRDKYOWNHL-UZLBHIALSA-N 0 1 434.566 0.729 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N2CCN(CCOC(C)C)CC2)n1 ZINC001612417537 1072885311 /nfs/dbraw/zinc/88/53/11/1072885311.db2.gz HLMDTZKBNZSLIM-UHFFFAOYSA-N 0 1 445.572 0.730 20 0 ICADMN Cc1nnc(CCn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)[nH]1 ZINC001612417619 1072884913 /nfs/dbraw/zinc/88/49/13/1072884913.db2.gz JVSMNJVCFVSENL-UHFFFAOYSA-N 0 1 431.545 0.052 20 0 ICADMN Cc1n[nH]c(CCn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC001612417619 1072884902 /nfs/dbraw/zinc/88/49/02/1072884902.db2.gz JVSMNJVCFVSENL-UHFFFAOYSA-N 0 1 431.545 0.052 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C3CC3)CC2)[nH]1 ZINC001612417634 1072885361 /nfs/dbraw/zinc/88/53/61/1072885361.db2.gz KEOOKNDVDKTCEM-UHFFFAOYSA-N 0 1 429.529 0.534 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C3CC3)CC2)n1 ZINC001612417634 1072885353 /nfs/dbraw/zinc/88/53/53/1072885353.db2.gz KEOOKNDVDKTCEM-UHFFFAOYSA-N 0 1 429.529 0.534 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)[nH]1 ZINC001612417697 1072884843 /nfs/dbraw/zinc/88/48/43/1072884843.db2.gz MCMZQVWXEQCVMY-UHFFFAOYSA-N 0 1 430.435 0.979 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)n1 ZINC001612417697 1072884827 /nfs/dbraw/zinc/88/48/27/1072884827.db2.gz MCMZQVWXEQCVMY-UHFFFAOYSA-N 0 1 430.435 0.979 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnccn3)CC2)[nH]1 ZINC001612417729 1072885091 /nfs/dbraw/zinc/88/50/91/1072885091.db2.gz NBXIWIZFJWHUEN-UHFFFAOYSA-N 0 1 425.501 0.202 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnccn3)CC2)n1 ZINC001612417729 1072885078 /nfs/dbraw/zinc/88/50/78/1072885078.db2.gz NBXIWIZFJWHUEN-UHFFFAOYSA-N 0 1 425.501 0.202 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)[nH]1 ZINC001612417752 1072884795 /nfs/dbraw/zinc/88/47/95/1072884795.db2.gz OHPWBVKBQBQGOT-UHFFFAOYSA-N 0 1 431.545 0.827 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)n1 ZINC001612417752 1072884783 /nfs/dbraw/zinc/88/47/83/1072884783.db2.gz OHPWBVKBQBQGOT-UHFFFAOYSA-N 0 1 431.545 0.827 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[nH]1 ZINC001612417860 1072885287 /nfs/dbraw/zinc/88/52/87/1072885287.db2.gz RGYYAXBXVHMYLG-UHFFFAOYSA-N 0 1 431.545 0.780 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC001612417860 1072885278 /nfs/dbraw/zinc/88/52/78/1072885278.db2.gz RGYYAXBXVHMYLG-UHFFFAOYSA-N 0 1 431.545 0.780 20 0 ICADMN Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)[nH]1 ZINC001612417906 1072884761 /nfs/dbraw/zinc/88/47/61/1072884761.db2.gz SURHHLLIOYYUOL-GFCCVEGCSA-N 0 1 426.547 0.420 20 0 ICADMN Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)n1 ZINC001612417906 1072884746 /nfs/dbraw/zinc/88/47/46/1072884746.db2.gz SURHHLLIOYYUOL-GFCCVEGCSA-N 0 1 426.547 0.420 20 0 ICADMN Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)[nH]1 ZINC001612417907 1072885245 /nfs/dbraw/zinc/88/52/45/1072885245.db2.gz SURHHLLIOYYUOL-LBPRGKRZSA-N 0 1 426.547 0.420 20 0 ICADMN Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)n1 ZINC001612417907 1072885226 /nfs/dbraw/zinc/88/52/26/1072885226.db2.gz SURHHLLIOYYUOL-LBPRGKRZSA-N 0 1 426.547 0.420 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001612417959 1072884969 /nfs/dbraw/zinc/88/49/69/1072884969.db2.gz VIQNWIBPNJEZEE-GASCZTMLSA-N 0 1 433.561 0.631 20 0 ICADMN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)C3CC3)CC2)[nH]1 ZINC001612417991 1072885045 /nfs/dbraw/zinc/88/50/45/1072885045.db2.gz WDQUUYNMZKQUNI-UHFFFAOYSA-N 0 1 429.529 0.581 20 0 ICADMN Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)C3CC3)CC2)n1 ZINC001612417991 1072885035 /nfs/dbraw/zinc/88/50/35/1072885035.db2.gz WDQUUYNMZKQUNI-UHFFFAOYSA-N 0 1 429.529 0.581 20 0 ICADMN Cc1nnc(CCn2c(C)nnc2N2CCN(S(=O)(=O)c3csc(C)n3)CC2)[nH]1 ZINC001612418156 1072884948 /nfs/dbraw/zinc/88/49/48/1072884948.db2.gz AWAGJDNPDNIKTP-UHFFFAOYSA-N 0 1 437.555 0.532 20 0 ICADMN Cc1n[nH]c(CCn2c(C)nnc2N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1 ZINC001612418156 1072884933 /nfs/dbraw/zinc/88/49/33/1072884933.db2.gz AWAGJDNPDNIKTP-UHFFFAOYSA-N 0 1 437.555 0.532 20 0 ICADMN Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCSC3)C2)[nH]1 ZINC001612418286 1072886036 /nfs/dbraw/zinc/88/60/36/1072886036.db2.gz FCTQRDJHOHNPJJ-PXAZEXFGSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCSC3)C2)n1 ZINC001612418286 1072886024 /nfs/dbraw/zinc/88/60/24/1072886024.db2.gz FCTQRDJHOHNPJJ-PXAZEXFGSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCSC3)C2)[nH]1 ZINC001612418287 1072885577 /nfs/dbraw/zinc/88/55/77/1072885577.db2.gz FCTQRDJHOHNPJJ-SJCJKPOMSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCSC3)C2)n1 ZINC001612418287 1072885568 /nfs/dbraw/zinc/88/55/68/1072885568.db2.gz FCTQRDJHOHNPJJ-SJCJKPOMSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)[nH]1 ZINC001612418288 1072886091 /nfs/dbraw/zinc/88/60/91/1072886091.db2.gz FCTQRDJHOHNPJJ-SJKOYZFVSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)n1 ZINC001612418288 1072886080 /nfs/dbraw/zinc/88/60/80/1072886080.db2.gz FCTQRDJHOHNPJJ-SJKOYZFVSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)[nH]1 ZINC001612418289 1072885852 /nfs/dbraw/zinc/88/58/52/1072885852.db2.gz FCTQRDJHOHNPJJ-YVEFUNNKSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)n1 ZINC001612418289 1072885843 /nfs/dbraw/zinc/88/58/43/1072885843.db2.gz FCTQRDJHOHNPJJ-YVEFUNNKSA-N 0 1 440.599 0.891 20 0 ICADMN Cc1nnc(CCn2c(-c3cccn3C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)[nH]1 ZINC001612420364 1072885610 /nfs/dbraw/zinc/88/56/10/1072885610.db2.gz ASSKVOFJUDIRGV-UHFFFAOYSA-N 0 1 447.569 0.813 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3cccn3C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC001612420364 1072885601 /nfs/dbraw/zinc/88/56/01/1072885601.db2.gz ASSKVOFJUDIRGV-UHFFFAOYSA-N 0 1 447.569 0.813 20 0 ICADMN Cc1nnc(CCn2c(-c3cnn(C)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)[nH]1 ZINC001612420592 1072885665 /nfs/dbraw/zinc/88/56/65/1072885665.db2.gz JWMOPNYISDAJKH-UHFFFAOYSA-N 0 1 448.557 0.208 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3cnn(C)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC001612420592 1072885655 /nfs/dbraw/zinc/88/56/55/1072885655.db2.gz JWMOPNYISDAJKH-UHFFFAOYSA-N 0 1 448.557 0.208 20 0 ICADMN Cc1nnc(CCn2c(-c3cccn3C)nnc2N2CCN(CC(=O)NC(C)C)CC2)[nH]1 ZINC001612420674 1072885963 /nfs/dbraw/zinc/88/59/63/1072885963.db2.gz MXOSXABKXKEWKI-UHFFFAOYSA-N 0 1 440.556 0.599 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3cccn3C)nnc2N2CCN(CC(=O)NC(C)C)CC2)n1 ZINC001612420674 1072885954 /nfs/dbraw/zinc/88/59/54/1072885954.db2.gz MXOSXABKXKEWKI-UHFFFAOYSA-N 0 1 440.556 0.599 20 0 ICADMN Cc1nnc(CCn2c(-c3ccc[nH]3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)[nH]1 ZINC001612420747 1072885637 /nfs/dbraw/zinc/88/56/37/1072885637.db2.gz PUHXXJDEPBCXER-UHFFFAOYSA-N 0 1 433.542 0.803 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3ccc[nH]3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)n1 ZINC001612420747 1072885630 /nfs/dbraw/zinc/88/56/30/1072885630.db2.gz PUHXXJDEPBCXER-UHFFFAOYSA-N 0 1 433.542 0.803 20 0 ICADMN Cc1nnc(CCn2c(-c3cccn3C)nnc2N2CCC(CNS(C)(=O)=O)CC2)[nH]1 ZINC001612420758 1072885896 /nfs/dbraw/zinc/88/58/96/1072885896.db2.gz QHHJLLQRBZYKCK-UHFFFAOYSA-N 0 1 447.569 0.718 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3cccn3C)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 ZINC001612420758 1072885882 /nfs/dbraw/zinc/88/58/82/1072885882.db2.gz QHHJLLQRBZYKCK-UHFFFAOYSA-N 0 1 447.569 0.718 20 0 ICADMN Cc1nnc(CCn2c(-c3cccn3C)nnc2N2CCC(NS(C)(=O)=O)CC2)[nH]1 ZINC001612420837 1072886254 /nfs/dbraw/zinc/88/62/54/1072886254.db2.gz SXMHCOXNNRGMDX-UHFFFAOYSA-N 0 1 433.542 0.471 20 0 ICADMN Cc1n[nH]c(CCn2c(-c3cccn3C)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 ZINC001612420837 1072886241 /nfs/dbraw/zinc/88/62/41/1072886241.db2.gz SXMHCOXNNRGMDX-UHFFFAOYSA-N 0 1 433.542 0.471 20 0 ICADMN Cc1nnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)[nH]1 ZINC001612421131 1072885700 /nfs/dbraw/zinc/88/57/00/1072885700.db2.gz CHHOJNXAQIPNMH-AWEZNQCLSA-N 0 1 433.542 0.528 20 0 ICADMN Cc1n[nH]c(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001612421131 1072885691 /nfs/dbraw/zinc/88/56/91/1072885691.db2.gz CHHOJNXAQIPNMH-AWEZNQCLSA-N 0 1 433.542 0.528 20 0 ICADMN Cc1nnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)[nH]1 ZINC001612421132 1072885811 /nfs/dbraw/zinc/88/58/11/1072885811.db2.gz CHHOJNXAQIPNMH-CQSZACIVSA-N 0 1 433.542 0.528 20 0 ICADMN Cc1n[nH]c(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001612421132 1072885795 /nfs/dbraw/zinc/88/57/95/1072885795.db2.gz CHHOJNXAQIPNMH-CQSZACIVSA-N 0 1 433.542 0.528 20 0 ICADMN Cc1nnc(CCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCS(C)(=O)=O)[nH]1 ZINC001612421395 1072885931 /nfs/dbraw/zinc/88/59/31/1072885931.db2.gz IWFJUQTXRPSUGI-INIZCTEOSA-N 0 1 447.521 0.941 20 0 ICADMN Cc1n[nH]c(CCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCS(C)(=O)=O)n1 ZINC001612421395 1072885923 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ICADMN CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615755407 1073116214 /nfs/dbraw/zinc/11/62/14/1073116214.db2.gz ZZJXJSKSAMFZLC-SOUVJXGZSA-N 0 1 429.591 0.286 20 0 ICADMN CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@@H]1C ZINC001615755829 1073116110 /nfs/dbraw/zinc/11/61/10/1073116110.db2.gz RCBNPLRGRVIANO-CKJXQJPGSA-N 0 1 429.525 0.996 20 0 ICADMN CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@@H]1C ZINC001615755835 1073116327 /nfs/dbraw/zinc/11/63/27/1073116327.db2.gz RCBNPLRGRVIANO-QYWGDWMGSA-N 0 1 429.525 0.996 20 0 ICADMN CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766184 1073117000 /nfs/dbraw/zinc/11/70/00/1073117000.db2.gz ZXLQXKLMCYENJY-MSOLQXFVSA-N 0 1 443.600 0.762 20 0 ICADMN CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766185 1073116895 /nfs/dbraw/zinc/11/68/95/1073116895.db2.gz ZXLQXKLMCYENJY-QZTJIDSGSA-N 0 1 443.600 0.762 20 0 ICADMN CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766187 1073116945 /nfs/dbraw/zinc/11/69/45/1073116945.db2.gz ZXLQXKLMCYENJY-ROUUACIJSA-N 0 1 443.600 0.762 20 0 ICADMN CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766189 1073117044 /nfs/dbraw/zinc/11/70/44/1073117044.db2.gz ZXLQXKLMCYENJY-ZWKOTPCHSA-N 0 1 443.600 0.762 20 0 ICADMN CCN1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001615786587 1073119051 /nfs/dbraw/zinc/11/90/51/1073119051.db2.gz UNSHNNAWYOFEAT-HNNXBMFYSA-N 0 1 435.554 0.748 20 0 ICADMN CCN1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001615786588 1073119207 /nfs/dbraw/zinc/11/92/07/1073119207.db2.gz UNSHNNAWYOFEAT-OAHLLOKOSA-N 0 1 435.554 0.748 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001615787588 1073119879 /nfs/dbraw/zinc/11/98/79/1073119879.db2.gz CSISIHVIBWRZGL-IKGGRYGDSA-N 0 1 429.587 0.967 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001615787591 1073119827 /nfs/dbraw/zinc/11/98/27/1073119827.db2.gz CSISIHVIBWRZGL-IXDOHACOSA-N 0 1 429.587 0.967 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001615787593 1073119674 /nfs/dbraw/zinc/11/96/74/1073119674.db2.gz CSISIHVIBWRZGL-ULQDDVLXSA-N 0 1 429.587 0.967 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001615787596 1073119765 /nfs/dbraw/zinc/11/97/65/1073119765.db2.gz CSISIHVIBWRZGL-YESZJQIVSA-N 0 1 429.587 0.967 20 0 ICADMN O=C(N1CCc2ccc([C@@H](O)CN(CCO)CCN3CCOCC3)cc2C1)C(F)(F)F ZINC001615790058 1073119939 /nfs/dbraw/zinc/11/99/39/1073119939.db2.gz SMYFCRJZEJEERB-IBGZPJMESA-N 0 1 445.482 0.794 20 0 ICADMN O=C(N1CCc2ccc([C@H](O)CN(CCO)CCN3CCOCC3)cc2C1)C(F)(F)F ZINC001615790060 1073119924 /nfs/dbraw/zinc/11/99/24/1073119924.db2.gz SMYFCRJZEJEERB-LJQANCHMSA-N 0 1 445.482 0.794 20 0 ICADMN CCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001615792626 1073120284 /nfs/dbraw/zinc/12/02/84/1073120284.db2.gz DXCASXMBHJCREU-MSOLQXFVSA-N 0 1 438.598 0.581 20 0 ICADMN CCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001615792627 1073120411 /nfs/dbraw/zinc/12/04/11/1073120411.db2.gz DXCASXMBHJCREU-QZTJIDSGSA-N 0 1 438.598 0.581 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001615792628 1073120306 /nfs/dbraw/zinc/12/03/06/1073120306.db2.gz DXCASXMBHJCREU-ROUUACIJSA-N 0 1 438.598 0.581 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001615792629 1073120514 /nfs/dbraw/zinc/12/05/14/1073120514.db2.gz DXCASXMBHJCREU-ZWKOTPCHSA-N 0 1 438.598 0.581 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001615792648 1073120204 /nfs/dbraw/zinc/12/02/04/1073120204.db2.gz FCJBBZOWLQZILC-DLBZAZTESA-N 0 1 438.598 0.614 20 0 ICADMN CCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001615792649 1073120438 /nfs/dbraw/zinc/12/04/38/1073120438.db2.gz FCJBBZOWLQZILC-IAGOWNOFSA-N 0 1 438.598 0.614 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001615792650 1073120428 /nfs/dbraw/zinc/12/04/28/1073120428.db2.gz FCJBBZOWLQZILC-IRXDYDNUSA-N 0 1 438.598 0.614 20 0 ICADMN CCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001615792651 1073120268 /nfs/dbraw/zinc/12/02/68/1073120268.db2.gz FCJBBZOWLQZILC-SJORKVTESA-N 0 1 438.598 0.614 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001615793495 1073121127 /nfs/dbraw/zinc/12/11/27/1073121127.db2.gz LGAMLLRGVANWIO-BZSNNMDCSA-N 0 1 441.598 0.764 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OCCOC)C2)C1 ZINC001615793497 1073120964 /nfs/dbraw/zinc/12/09/64/1073120964.db2.gz LGAMLLRGVANWIO-KSZLIROESA-N 0 1 441.598 0.764 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001615793499 1073121054 /nfs/dbraw/zinc/12/10/54/1073121054.db2.gz LGAMLLRGVANWIO-OKZBNKHCSA-N 0 1 441.598 0.764 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OCCOC)C2)C1 ZINC001615793501 1073121133 /nfs/dbraw/zinc/12/11/33/1073121133.db2.gz LGAMLLRGVANWIO-RCCFBDPRSA-N 0 1 441.598 0.764 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001615795910 1073121139 /nfs/dbraw/zinc/12/11/39/1073121139.db2.gz UNSFVJMRGPFAOC-HRCADAONSA-N 0 1 426.587 0.830 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001615795913 1073121120 /nfs/dbraw/zinc/12/11/20/1073121120.db2.gz UNSFVJMRGPFAOC-JYJNAYRXSA-N 0 1 426.587 0.830 20 0 ICADMN CCN1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001615795914 1073121090 /nfs/dbraw/zinc/12/10/90/1073121090.db2.gz UNSFVJMRGPFAOC-OWCLPIDISA-N 0 1 426.587 0.830 20 0 ICADMN CCN1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001615795915 1073120994 /nfs/dbraw/zinc/12/09/94/1073120994.db2.gz UNSFVJMRGPFAOC-PMPSAXMXSA-N 0 1 426.587 0.830 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001615808425 1073122234 /nfs/dbraw/zinc/12/22/34/1073122234.db2.gz GPAWNFOLQKVMHV-BBWFWOEESA-N 0 1 427.571 0.516 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001615808426 1073122263 /nfs/dbraw/zinc/12/22/63/1073122263.db2.gz GPAWNFOLQKVMHV-BRWVUGGUSA-N 0 1 427.571 0.516 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001615808427 1073122218 /nfs/dbraw/zinc/12/22/18/1073122218.db2.gz GPAWNFOLQKVMHV-GVDBMIGSSA-N 0 1 427.571 0.516 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001615808429 1073122198 /nfs/dbraw/zinc/12/21/98/1073122198.db2.gz GPAWNFOLQKVMHV-ZACQAIPSSA-N 0 1 427.571 0.516 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001615809830 1073122636 /nfs/dbraw/zinc/12/26/36/1073122636.db2.gz VEXDMZWHVLOYAD-BPQIPLTHSA-N 0 1 438.598 0.722 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001615809831 1073122898 /nfs/dbraw/zinc/12/28/98/1073122898.db2.gz VEXDMZWHVLOYAD-CGTJXYLNSA-N 0 1 438.598 0.722 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001615809832 1073122821 /nfs/dbraw/zinc/12/28/21/1073122821.db2.gz VEXDMZWHVLOYAD-KBAYOESNSA-N 0 1 438.598 0.722 20 0 ICADMN CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001615809833 1073122589 /nfs/dbraw/zinc/12/25/89/1073122589.db2.gz VEXDMZWHVLOYAD-RYQLBKOJSA-N 0 1 438.598 0.722 20 0 ICADMN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)CC1=O ZINC001615830794 1073126365 /nfs/dbraw/zinc/12/63/65/1073126365.db2.gz PAWGUEOGSVQMBE-KRWDZBQOSA-N 0 1 438.598 0.725 20 0 ICADMN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)CC1=O ZINC001615830795 1073126241 /nfs/dbraw/zinc/12/62/41/1073126241.db2.gz PAWGUEOGSVQMBE-QGZVFWFLSA-N 0 1 438.598 0.725 20 0 ICADMN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)CC1=O ZINC001615830802 1073126351 /nfs/dbraw/zinc/12/63/51/1073126351.db2.gz PBMPGTHTFNPEJQ-INIZCTEOSA-N 0 1 426.587 0.579 20 0 ICADMN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)CC1=O ZINC001615830803 1073126279 /nfs/dbraw/zinc/12/62/79/1073126279.db2.gz PBMPGTHTFNPEJQ-MRXNPFEDSA-N 0 1 426.587 0.579 20 0 ICADMN CCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1=O ZINC001615831710 1073127041 /nfs/dbraw/zinc/12/70/41/1073127041.db2.gz UXWLMRNYYYAILU-KRWDZBQOSA-N 0 1 433.557 0.400 20 0 ICADMN CCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1=O ZINC001615831711 1073127155 /nfs/dbraw/zinc/12/71/55/1073127155.db2.gz UXWLMRNYYYAILU-QGZVFWFLSA-N 0 1 433.557 0.400 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001615836176 1073127788 /nfs/dbraw/zinc/12/77/88/1073127788.db2.gz BXRGCFAOVBAHPU-KRWDZBQOSA-N 0 1 448.616 0.547 20 0 ICADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001615836177 1073127685 /nfs/dbraw/zinc/12/76/85/1073127685.db2.gz BXRGCFAOVBAHPU-QGZVFWFLSA-N 0 1 448.616 0.547 20 0 ICADMN CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836224 1073127815 /nfs/dbraw/zinc/12/78/15/1073127815.db2.gz CSEQOBDWOAGZMC-CVEARBPZSA-N 0 1 445.659 0.468 20 0 ICADMN CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836225 1073127643 /nfs/dbraw/zinc/12/76/43/1073127643.db2.gz CSEQOBDWOAGZMC-HOTGVXAUSA-N 0 1 445.659 0.468 20 0 ICADMN CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836226 1073127737 /nfs/dbraw/zinc/12/77/37/1073127737.db2.gz CSEQOBDWOAGZMC-HZPDHXFCSA-N 0 1 445.659 0.468 20 0 ICADMN CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836227 1073127871 /nfs/dbraw/zinc/12/78/71/1073127871.db2.gz CSEQOBDWOAGZMC-JKSUJKDBSA-N 0 1 445.659 0.468 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615836369 1073127758 /nfs/dbraw/zinc/12/77/58/1073127758.db2.gz DIQLDOIIJPFBOK-HRAATJIYSA-N 0 1 434.589 0.144 20 0 ICADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615836370 1073127779 /nfs/dbraw/zinc/12/77/79/1073127779.db2.gz DIQLDOIIJPFBOK-IERDGZPVSA-N 0 1 434.589 0.144 20 0 ICADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615836371 1073128458 /nfs/dbraw/zinc/12/84/58/1073128458.db2.gz DIQLDOIIJPFBOK-IIBYNOLFSA-N 0 1 434.589 0.144 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615836372 1073128370 /nfs/dbraw/zinc/12/83/70/1073128370.db2.gz DIQLDOIIJPFBOK-KKSFZXQISA-N 0 1 434.589 0.144 20 0 ICADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CCc2cnccn2)CC1 ZINC001615836540 1073128498 /nfs/dbraw/zinc/12/84/98/1073128498.db2.gz 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CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615843195 1073130567 /nfs/dbraw/zinc/13/05/67/1073130567.db2.gz LGGCPXFMLZGAEA-GOSISDBHSA-N 0 1 449.625 0.771 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001615843197 1073130675 /nfs/dbraw/zinc/13/06/75/1073130675.db2.gz LGGCPXFMLZGAEA-SFHVURJKSA-N 0 1 449.625 0.771 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001615843425 1073130612 /nfs/dbraw/zinc/13/06/12/1073130612.db2.gz VKXAVPMLOCGKDR-DLBZAZTESA-N 0 1 435.598 0.923 20 0 ICADMN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001615843426 1073130528 /nfs/dbraw/zinc/13/05/28/1073130528.db2.gz VKXAVPMLOCGKDR-IAGOWNOFSA-N 0 1 435.598 0.923 20 0 ICADMN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001615843427 1073130651 /nfs/dbraw/zinc/13/06/51/1073130651.db2.gz VKXAVPMLOCGKDR-IRXDYDNUSA-N 0 1 435.598 0.923 20 0 ICADMN 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ZINC001616218095 1073185715 /nfs/dbraw/zinc/18/57/15/1073185715.db2.gz FZBDJEZPCYGXNP-HNNXBMFYSA-N 0 1 430.596 0.859 20 0 ICADMN CCN1CCN([C@H](C)CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC001616218096 1073185597 /nfs/dbraw/zinc/18/55/97/1073185597.db2.gz FZBDJEZPCYGXNP-OAHLLOKOSA-N 0 1 430.596 0.859 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)N(C)C)CCOC1 ZINC001616233439 1073188353 /nfs/dbraw/zinc/18/83/53/1073188353.db2.gz JXKUPGIZPSZZPN-FRQCXROJSA-N 0 1 429.587 0.894 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)N(C)C)CCOC1 ZINC001616233441 1073188288 /nfs/dbraw/zinc/18/82/88/1073188288.db2.gz JXKUPGIZPSZZPN-GPMSIDNRSA-N 0 1 429.587 0.894 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)N(C)C)CCOC1 ZINC001616233442 1073188226 /nfs/dbraw/zinc/18/82/26/1073188226.db2.gz JXKUPGIZPSZZPN-JTDSTZFVSA-N 0 1 429.587 0.894 20 0 ICADMN CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)N(C)C)CCOC1 ZINC001616233443 1073188316 /nfs/dbraw/zinc/18/83/16/1073188316.db2.gz JXKUPGIZPSZZPN-TXPKVOOTSA-N 0 1 429.587 0.894 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)CCOC1 ZINC001616249478 1073190618 /nfs/dbraw/zinc/19/06/18/1073190618.db2.gz HNBGSUXBMNHHDV-NRFANRHFSA-N 0 1 446.556 0.614 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)CCOC1 ZINC001616249479 1073190527 /nfs/dbraw/zinc/19/05/27/1073190527.db2.gz HNBGSUXBMNHHDV-OAQYLSRUSA-N 0 1 446.556 0.614 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCc2n[nH]c(C)n2)CCOC1 ZINC001616258092 1073193500 /nfs/dbraw/zinc/19/35/00/1073193500.db2.gz DZARGTLGIQTPTI-HRAATJIYSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001616258092 1073193495 /nfs/dbraw/zinc/19/34/95/1073193495.db2.gz DZARGTLGIQTPTI-HRAATJIYSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CCc2n[nH]c(C)n2)CCOC1 ZINC001616258093 1073193689 /nfs/dbraw/zinc/19/36/89/1073193689.db2.gz DZARGTLGIQTPTI-IERDGZPVSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001616258093 1073193683 /nfs/dbraw/zinc/19/36/83/1073193683.db2.gz DZARGTLGIQTPTI-IERDGZPVSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CCc2n[nH]c(C)n2)CCOC1 ZINC001616258095 1073193455 /nfs/dbraw/zinc/19/34/55/1073193455.db2.gz DZARGTLGIQTPTI-IIBYNOLFSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001616258095 1073193448 /nfs/dbraw/zinc/19/34/48/1073193448.db2.gz DZARGTLGIQTPTI-IIBYNOLFSA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCc2n[nH]c(C)n2)CCOC1 ZINC001616258096 1073193602 /nfs/dbraw/zinc/19/36/02/1073193602.db2.gz DZARGTLGIQTPTI-KKSFZXQISA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001616258096 1073193591 /nfs/dbraw/zinc/19/35/91/1073193591.db2.gz DZARGTLGIQTPTI-KKSFZXQISA-N 0 1 448.572 0.756 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCS(=O)(=O)NC)CCOC1 ZINC001616258308 1073194246 /nfs/dbraw/zinc/19/42/46/1073194246.db2.gz GORUVJOCLWNZID-APWZRJJASA-N 0 1 442.586 0.154 20 0 ICADMN CCO[C@@]1(c2nnc(N3CCN4CCCC[C@H]4C3)n2CCS(=O)(=O)NC)CCOC1 ZINC001616258314 1073194036 /nfs/dbraw/zinc/19/40/36/1073194036.db2.gz GORUVJOCLWNZID-LPHOPBHVSA-N 0 1 442.586 0.154 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN4CCCC[C@H]4C3)n2CCS(=O)(=O)NC)CCOC1 ZINC001616258316 1073194231 /nfs/dbraw/zinc/19/42/31/1073194231.db2.gz GORUVJOCLWNZID-QFBILLFUSA-N 0 1 442.586 0.154 20 0 ICADMN CCO[C@]1(c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCS(=O)(=O)NC)CCOC1 ZINC001616258319 1073194006 /nfs/dbraw/zinc/19/40/06/1073194006.db2.gz GORUVJOCLWNZID-VQIMIIECSA-N 0 1 442.586 0.154 20 0 ICADMN Cn1ccc(-c2cc(C(=O)N(CCCN3CCOCC3)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1 ZINC001616280338 1073201719 /nfs/dbraw/zinc/20/17/19/1073201719.db2.gz FJXSIHRCOIHHNS-KRWDZBQOSA-N 0 1 435.550 0.767 20 0 ICADMN Cn1ccc(-c2cc(C(=O)N(CCCN3CCOCC3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1 ZINC001616280339 1073201670 /nfs/dbraw/zinc/20/16/70/1073201670.db2.gz FJXSIHRCOIHHNS-QGZVFWFLSA-N 0 1 435.550 0.767 20 0 ICADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001616317404 1073204236 /nfs/dbraw/zinc/20/42/36/1073204236.db2.gz WMNBWFWERURDTJ-UHFFFAOYSA-N 0 1 434.522 0.115 20 0 ICADMN CCOc1ccccc1-c1cc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n[nH]1 ZINC001616362410 1073206542 /nfs/dbraw/zinc/20/65/42/1073206542.db2.gz GIVQPSMUSVCNAN-UHFFFAOYSA-N 0 1 439.476 0.578 20 0 ICADMN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cc(N(C)C)ccn3)c2)CC1 ZINC001616481808 1073210500 /nfs/dbraw/zinc/21/05/00/1073210500.db2.gz ZRHWDEVFFDKEOP-UHFFFAOYSA-N 0 1 445.545 0.930 20 0 ICADMN Cc1[nH]nc(C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)c1I ZINC001616494157 1073211059 /nfs/dbraw/zinc/21/10/59/1073211059.db2.gz UAUAIWGUOYNSAW-UHFFFAOYSA-N 0 1 429.222 0.363 20 0 ICADMN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC001616526541 1073213148 /nfs/dbraw/zinc/21/31/48/1073213148.db2.gz KXKAJWVEXHZFCY-SJORKVTESA-N 0 1 436.557 0.769 20 0 ICADMN O=C(Cc1nnc(C2CCOCC2)[nH]1)NCCCCN1CCN(c2ncccn2)CC1 ZINC001616527151 1073213631 /nfs/dbraw/zinc/21/36/31/1073213631.db2.gz SFMDJVPTMSRGIO-UHFFFAOYSA-N 0 1 428.541 0.750 20 0 ICADMN O=C(CCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538110 1073213753 /nfs/dbraw/zinc/21/37/53/1073213753.db2.gz GEZHVGMOTPHGFG-INIZCTEOSA-N 0 1 425.507 0.870 20 0 ICADMN O=C(CCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC001616538113 1073213791 /nfs/dbraw/zinc/21/37/91/1073213791.db2.gz GEZHVGMOTPHGFG-MRXNPFEDSA-N 0 1 425.507 0.870 20 0 ICADMN CN(C[C@](C)(O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548407 1073214170 /nfs/dbraw/zinc/21/41/70/1073214170.db2.gz GOZJHTAJKWOWPK-APWZRJJASA-N 0 1 435.587 0.731 20 0 ICADMN CN(C[C@](C)(O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548409 1073214065 /nfs/dbraw/zinc/21/40/65/1073214065.db2.gz GOZJHTAJKWOWPK-LPHOPBHVSA-N 0 1 435.587 0.731 20 0 ICADMN CN(C[C@@](C)(O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548411 1073214202 /nfs/dbraw/zinc/21/42/02/1073214202.db2.gz GOZJHTAJKWOWPK-QFBILLFUSA-N 0 1 435.587 0.731 20 0 ICADMN CN(C[C@@](C)(O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001616548413 1073214103 /nfs/dbraw/zinc/21/41/03/1073214103.db2.gz GOZJHTAJKWOWPK-VQIMIIECSA-N 0 1 435.587 0.731 20 0 ICADMN CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001616571259 1073215658 /nfs/dbraw/zinc/21/56/58/1073215658.db2.gz KPSPPTCKLMVKAC-BQJIDLTASA-N 0 1 431.541 0.822 20 0 ICADMN CCOC1CC(O)(Cn2c(-c3cnccn3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001616571260 1073215756 /nfs/dbraw/zinc/21/57/56/1073215756.db2.gz KPSPPTCKLMVKAC-ZGGTZUKQSA-N 0 1 431.541 0.822 20 0 ICADMN CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001616576434 1073216667 /nfs/dbraw/zinc/21/66/67/1073216667.db2.gz SAXQYAMWBYPQOF-BAQZJKQNSA-N 0 1 436.557 0.316 20 0 ICADMN CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001616576435 1073216484 /nfs/dbraw/zinc/21/64/84/1073216484.db2.gz SAXQYAMWBYPQOF-CLIJALBYSA-N 0 1 436.557 0.316 20 0 ICADMN CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001616576436 1073216401 /nfs/dbraw/zinc/21/64/01/1073216401.db2.gz SAXQYAMWBYPQOF-DILDSAGESA-N 0 1 436.557 0.316 20 0 ICADMN CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001616576437 1073216606 /nfs/dbraw/zinc/21/66/06/1073216606.db2.gz SAXQYAMWBYPQOF-HRXNXTQESA-N 0 1 436.557 0.316 20 0 ICADMN COc1ccnc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 ZINC001616580711 1073217372 /nfs/dbraw/zinc/21/73/72/1073217372.db2.gz XLXSMIJVRBUMLK-KRWDZBQOSA-N 0 1 429.452 0.552 20 0 ICADMN COc1ccnc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 ZINC001616580716 1073217324 /nfs/dbraw/zinc/21/73/24/1073217324.db2.gz XLXSMIJVRBUMLK-QGZVFWFLSA-N 0 1 429.452 0.552 20 0 ICADMN CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616668971 1073220570 /nfs/dbraw/zinc/22/05/70/1073220570.db2.gz AKDOYFOXZWYSGP-DLBZAZTESA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616668972 1073220583 /nfs/dbraw/zinc/22/05/83/1073220583.db2.gz AKDOYFOXZWYSGP-IAGOWNOFSA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616668973 1073220511 /nfs/dbraw/zinc/22/05/11/1073220511.db2.gz AKDOYFOXZWYSGP-IRXDYDNUSA-N 0 1 428.603 0.464 20 0 ICADMN CCOCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616668974 1073220538 /nfs/dbraw/zinc/22/05/38/1073220538.db2.gz AKDOYFOXZWYSGP-SJORKVTESA-N 0 1 428.603 0.464 20 0 ICADMN NS(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC001616693429 1073221380 /nfs/dbraw/zinc/22/13/80/1073221380.db2.gz VTOYBAMEUQFHKN-UHFFFAOYSA-N 0 1 437.425 0.872 20 0 ICADMN CCOCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 ZINC001616711092 1073221795 /nfs/dbraw/zinc/22/17/95/1073221795.db2.gz GQYVBTGCTIOVNZ-INIZCTEOSA-N 0 1 429.587 0.939 20 0 ICADMN CCOCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 ZINC001616711093 1073221882 /nfs/dbraw/zinc/22/18/82/1073221882.db2.gz GQYVBTGCTIOVNZ-MRXNPFEDSA-N 0 1 429.587 0.939 20 0 ICADMN COc1ccc(-c2nc(CNC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)n[nH]2)cc1 ZINC001616723671 1073223131 /nfs/dbraw/zinc/22/31/31/1073223131.db2.gz CUBDKFGDLQTDTG-BRWVUGGUSA-N 0 1 425.449 0.020 20 0 ICADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)n2)cc1 ZINC001616723671 1073223128 /nfs/dbraw/zinc/22/31/28/1073223128.db2.gz CUBDKFGDLQTDTG-BRWVUGGUSA-N 0 1 425.449 0.020 20 0 ICADMN COc1cc([C@@H](C)NCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC001616763918 1073225105 /nfs/dbraw/zinc/22/51/05/1073225105.db2.gz NSTDWTLYCDTAEV-CYBMUJFWSA-N 0 1 429.539 0.903 20 0 ICADMN COc1cc([C@H](C)NCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC001616763922 1073225311 /nfs/dbraw/zinc/22/53/11/1073225311.db2.gz NSTDWTLYCDTAEV-ZDUSSCGKSA-N 0 1 429.539 0.903 20 0 ICADMN CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 ZINC001616856632 1073230256 /nfs/dbraw/zinc/23/02/56/1073230256.db2.gz KAXRZWJZKYCGIY-GFCCVEGCSA-N 0 1 438.472 0.724 20 0 ICADMN CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 ZINC001616856638 1073230240 /nfs/dbraw/zinc/23/02/40/1073230240.db2.gz KAXRZWJZKYCGIY-LBPRGKRZSA-N 0 1 438.472 0.724 20 0 ICADMN CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCCN1CCOCC1 ZINC001616863626 1073230757 /nfs/dbraw/zinc/23/07/57/1073230757.db2.gz LVHWSFBGLOYTKN-KRWDZBQOSA-N 0 1 429.587 0.940 20 0 ICADMN CCOCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCCCN1CCOCC1 ZINC001616863643 1073230638 /nfs/dbraw/zinc/23/06/38/1073230638.db2.gz LVHWSFBGLOYTKN-QGZVFWFLSA-N 0 1 429.587 0.940 20 0 ICADMN CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616864549 1073230961 /nfs/dbraw/zinc/23/09/61/1073230961.db2.gz UDTUHXDIJRWFER-MSOLQXFVSA-N 0 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CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCc1nc(C)n[nH]1 ZINC001616883396 1073231953 /nfs/dbraw/zinc/23/19/53/1073231953.db2.gz LLHZTEVEDHEAHN-UHFFFAOYSA-N 0 1 445.572 0.618 20 0 ICADMN CC(C)N1CC[NH+](CCC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC001616885606 1073232491 /nfs/dbraw/zinc/23/24/91/1073232491.db2.gz JDQIFSNAMYGMPF-UHFFFAOYSA-N 0 1 443.536 0.380 20 0 ICADMN CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001616890142 1073232829 /nfs/dbraw/zinc/23/28/29/1073232829.db2.gz PPTHHGGNHUDYTN-IRXDYDNUSA-N 0 1 449.556 0.351 20 0 ICADMN CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCN1CC=CCC1 ZINC001616890819 1073232711 /nfs/dbraw/zinc/23/27/11/1073232711.db2.gz AAJODNXYIDMSFV-UHFFFAOYSA-N 0 1 433.557 0.250 20 0 ICADMN CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCN1CC=CCC1 ZINC001616906688 1073236734 /nfs/dbraw/zinc/23/67/34/1073236734.db2.gz DZEJCRXWPXOMJG-GOSISDBHSA-N 0 1 431.585 0.866 20 0 ICADMN CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCN1CC=CCC1 ZINC001616906705 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OFAOWEZLFPNBCP-IXDOHACOSA-N 0 1 438.573 0.654 20 0 ICADMN CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001616951202 1073243739 /nfs/dbraw/zinc/24/37/39/1073243739.db2.gz OFAOWEZLFPNBCP-ULQDDVLXSA-N 0 1 438.573 0.654 20 0 ICADMN CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001616951203 1073243805 /nfs/dbraw/zinc/24/38/05/1073243805.db2.gz OFAOWEZLFPNBCP-ZACQAIPSSA-N 0 1 438.573 0.654 20 0 ICADMN CCOCc1nnc(N2CCS(=O)CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001616973536 1073245628 /nfs/dbraw/zinc/24/56/28/1073245628.db2.gz MCPPYGNBLUOMAZ-UHFFFAOYSA-N 0 1 447.609 0.969 20 0 ICADMN COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001617014686 1073247498 /nfs/dbraw/zinc/24/74/98/1073247498.db2.gz NPTIFNNPBWYWAI-AEFFLSMTSA-N 0 1 443.504 0.935 20 0 ICADMN COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN1CC[C@H](NC(=O)NC2CC2)C1 ZINC001617014688 1073247515 /nfs/dbraw/zinc/24/75/15/1073247515.db2.gz NPTIFNNPBWYWAI-FUHWJXTLSA-N 0 1 443.504 0.935 20 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