smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2cc[nH]c2n1 ZINC000329365329 214853475 /nfs/dbraw/zinc/85/34/75/214853475.db2.gz GJLIBLXATKWKIE-CQSZACIVSA-N 1 2 357.414 0.226 40 0 FCABLO C[N@@H+]1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529708 206291571 /nfs/dbraw/zinc/29/15/71/206291571.db2.gz ZLANSFAEGUVFHM-AAEUAGOBSA-N 1 2 352.358 0.492 40 0 biogenic,in-vitro FCABLO C[N@H+]1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529708 206291575 /nfs/dbraw/zinc/29/15/75/206291575.db2.gz ZLANSFAEGUVFHM-AAEUAGOBSA-N 1 2 352.358 0.492 40 0 biogenic,in-vitro FCABLO COCC(=O)N1CC[C@H]2CC(=O)N(CC[NH+]3CCOCC3)CC[C@H]2C1 ZINC000015672924 206315247 /nfs/dbraw/zinc/31/52/47/206315247.db2.gz LJVLANSHJNQTJG-HOTGVXAUSA-N 1 2 353.463 0.052 40 0 biogenic,in-vitro FCABLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408596915 533483622 /nfs/dbraw/zinc/48/36/22/533483622.db2.gz UZKYGOMZYFWLCO-GFCCVEGCSA-N 1 2 354.407 0.896 40 0 FCABLO Cc1ccn(CCC(=O)NC[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257317094 132297328 /nfs/dbraw/zinc/29/73/28/132297328.db2.gz VIJYKZIHQJFGJT-GOSISDBHSA-N 1 2 358.446 0.828 40 0 FCABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)no1 ZINC000019749188 487606991 /nfs/dbraw/zinc/60/69/91/487606991.db2.gz NPDLMYFZTCPCNQ-CYBMUJFWSA-N 1 2 358.402 0.996 40 0 FCABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)no1 ZINC000019749188 487606994 /nfs/dbraw/zinc/60/69/94/487606994.db2.gz NPDLMYFZTCPCNQ-CYBMUJFWSA-N 1 2 358.402 0.996 40 0 FCABLO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 ZINC000026440125 487681513 /nfs/dbraw/zinc/68/15/13/487681513.db2.gz QPOQATSDQBAGEZ-SQFISAMPSA-N 1 2 358.398 0.827 40 0 FCABLO CC[NH+]1CCN(S(=O)(=O)c2cncc(Br)c2NN)CC1 ZINC000072210924 488379514 /nfs/dbraw/zinc/37/95/14/488379514.db2.gz PTTCAFCBYUYLQG-UHFFFAOYSA-N 1 2 364.269 0.456 40 0 FCABLO C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000080296632 488435197 /nfs/dbraw/zinc/43/51/97/488435197.db2.gz UZKYGOMZYFWLCO-LBPRGKRZSA-N 1 2 354.407 0.896 40 0 FCABLO CN(C)c1cc(NC[C@@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)[nH+]cn1 ZINC000096063524 488488860 /nfs/dbraw/zinc/48/88/60/488488860.db2.gz IHSOYUCGVKFNMZ-BLLLJJGKSA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)c1cc(NC[C@@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)nc[nH+]1 ZINC000096063524 488488862 /nfs/dbraw/zinc/48/88/62/488488862.db2.gz IHSOYUCGVKFNMZ-BLLLJJGKSA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)C(=O)N1C[C@]2(CO[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000096144556 488489402 /nfs/dbraw/zinc/48/94/02/488489402.db2.gz SVQPCGFFSUARSB-YLJYHZDGSA-N 1 2 372.469 0.989 40 0 FCABLO CN(C)C(=O)N1C[C@@]2(CO[C@H](C(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000096144557 488489407 /nfs/dbraw/zinc/48/94/07/488489407.db2.gz SVQPCGFFSUARSB-PXNSSMCTSA-N 1 2 372.469 0.989 40 0 FCABLO CNC(=O)[C@@H]1COC2(CN(Cc3scnc3C)C2)C[N@@H+]1CC1CC1 ZINC000248046991 488493403 /nfs/dbraw/zinc/49/34/03/488493403.db2.gz QWUMLSGLORQGFG-AWEZNQCLSA-N 1 2 350.488 0.863 40 0 FCABLO CNC(=O)[C@@H]1COC2(CN(Cc3scnc3C)C2)C[N@H+]1CC1CC1 ZINC000248046991 488493405 /nfs/dbraw/zinc/49/34/05/488493405.db2.gz QWUMLSGLORQGFG-AWEZNQCLSA-N 1 2 350.488 0.863 40 0 FCABLO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000253615495 488522546 /nfs/dbraw/zinc/52/25/46/488522546.db2.gz OCSIWMODMFEDLM-QRWLVFNGSA-N 1 2 373.453 0.939 40 0 FCABLO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000253615495 488522549 /nfs/dbraw/zinc/52/25/49/488522549.db2.gz OCSIWMODMFEDLM-QRWLVFNGSA-N 1 2 373.453 0.939 40 0 FCABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257264719 488524447 /nfs/dbraw/zinc/52/44/47/488524447.db2.gz LVTYQYUQZAGBBP-OAHLLOKOSA-N 1 2 354.476 0.904 40 0 FCABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCn3cncn3)C2)nc[nH+]1 ZINC000257271272 488524912 /nfs/dbraw/zinc/52/49/12/488524912.db2.gz MXPVKQUMBPNNSW-QGZVFWFLSA-N 1 2 359.434 0.257 40 0 FCABLO Cc1noc(C)c1C(=O)N(C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257326722 488525708 /nfs/dbraw/zinc/52/57/08/488525708.db2.gz WYINUOYLAVZPQC-XJKCOSOUSA-N 1 2 350.419 0.077 40 0 FCABLO Cc1noc(C)c1C(=O)N(C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257326722 488525710 /nfs/dbraw/zinc/52/57/10/488525710.db2.gz WYINUOYLAVZPQC-XJKCOSOUSA-N 1 2 350.419 0.077 40 0 FCABLO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257314063 488525986 /nfs/dbraw/zinc/52/59/86/488525986.db2.gz UVDXBGJZTCMQEF-SFHVURJKSA-N 1 2 359.430 0.647 40 0 FCABLO CC(C)C(=O)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289197 490768494 /nfs/dbraw/zinc/76/84/94/490768494.db2.gz JEBZHYGREQRAAA-JKSUJKDBSA-N 1 2 358.442 0.210 40 0 biogenic,in-vitro FCABLO CC(C)C(=O)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289197 490768496 /nfs/dbraw/zinc/76/84/96/490768496.db2.gz JEBZHYGREQRAAA-JKSUJKDBSA-N 1 2 358.442 0.210 40 0 biogenic,in-vitro FCABLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(C(C)=O)C3)C2)c1 ZINC000514289818 490768543 /nfs/dbraw/zinc/76/85/43/490768543.db2.gz OZPVSRMOWUQYPS-ZWKOTPCHSA-N 1 2 373.453 0.325 40 0 biogenic,in-vitro FCABLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(C(C)=O)C3)C2)c1 ZINC000514289818 490768546 /nfs/dbraw/zinc/76/85/46/490768546.db2.gz OZPVSRMOWUQYPS-ZWKOTPCHSA-N 1 2 373.453 0.325 40 0 biogenic,in-vitro FCABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(CC3CC3)C2)C1 ZINC000514288815 490768573 /nfs/dbraw/zinc/76/85/73/490768573.db2.gz FSHZGTGYJVMBNV-RTBURBONSA-N 1 2 355.482 0.971 40 0 biogenic,in-vitro FCABLO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(CC3CC3)C2)C1 ZINC000514288815 490768575 /nfs/dbraw/zinc/76/85/75/490768575.db2.gz FSHZGTGYJVMBNV-RTBURBONSA-N 1 2 355.482 0.971 40 0 biogenic,in-vitro FCABLO COc1cccc(NC(=O)N[C@H]2CO[C@@H](C[NH+]3CCOCC3)[C@@H]2O)c1 ZINC000514289040 490769006 /nfs/dbraw/zinc/76/90/06/490769006.db2.gz MMDUFKXNIXMQAP-HRCADAONSA-N 1 2 351.403 0.277 40 0 biogenic,in-vitro FCABLO CCCS(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000585096028 491719465 /nfs/dbraw/zinc/71/94/65/491719465.db2.gz NGCGRPCLYYPZCP-HNNXBMFYSA-N 1 2 363.443 0.691 40 0 FCABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000585110867 491720126 /nfs/dbraw/zinc/72/01/26/491720126.db2.gz RNVDNZRUYLVFNK-LBPRGKRZSA-N 1 2 350.373 0.731 40 0 FCABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000585110867 491720128 /nfs/dbraw/zinc/72/01/28/491720128.db2.gz RNVDNZRUYLVFNK-LBPRGKRZSA-N 1 2 350.373 0.731 40 0 FCABLO CN(C)S(=O)(=O)N1CCO[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000585260848 491720332 /nfs/dbraw/zinc/72/03/32/491720332.db2.gz CJWYTOWXGXUPGC-LBPRGKRZSA-N 1 2 352.420 0.234 40 0 FCABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2c(C)nn(C)c2OC)CCO1 ZINC000585277148 491720749 /nfs/dbraw/zinc/72/07/49/491720749.db2.gz FYFWPJIKERZPHP-QGZVFWFLSA-N 1 2 354.451 0.433 40 0 FCABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2c(C)nn(C)c2OC)CCO1 ZINC000585277148 491720751 /nfs/dbraw/zinc/72/07/51/491720751.db2.gz FYFWPJIKERZPHP-QGZVFWFLSA-N 1 2 354.451 0.433 40 0 FCABLO Cc1cccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000585276044 491720836 /nfs/dbraw/zinc/72/08/36/491720836.db2.gz ITIIZUPAYDUQSP-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FCABLO Cc1cccc(OC[C@@]2(O)CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)c1 ZINC000585276044 491720838 /nfs/dbraw/zinc/72/08/38/491720838.db2.gz ITIIZUPAYDUQSP-LJQANCHMSA-N 1 2 358.442 1.573 40 0 FCABLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000585291164 491721793 /nfs/dbraw/zinc/72/17/93/491721793.db2.gz MFXCGNJOUMHEPP-FWOUMHECSA-N 1 2 368.401 0.368 40 0 FCABLO CNC(=O)CC[C@@]1(OC)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000585291649 491721819 /nfs/dbraw/zinc/72/18/19/491721819.db2.gz RAXOCUAVHHUOQY-YZTRRJNXSA-N 1 2 353.463 0.409 40 0 FCABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)CC1 ZINC000408611567 529150479 /nfs/dbraw/zinc/15/04/79/529150479.db2.gz XNRMBRMTWJMHST-CYBMUJFWSA-N 1 2 355.460 0.526 40 0 FCABLO Cc1nc(N2CC3(C2)OC(=O)N2CCN(C(=O)[C@@H]4C[C@H]4C)C[C@@H]23)cc[nH+]1 ZINC001549162933 1267843511 /nfs/dbraw/zinc/84/35/11/1267843511.db2.gz WZCQTPYPCWGYQF-MRVWCRGKSA-N 1 2 357.414 0.663 40 0 FCABLO Cc1cc2[nH+]c(N3CCOCC3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C ZINC000004830587 204167143 /nfs/dbraw/zinc/16/71/43/204167143.db2.gz XXWBSWGLONZBPI-YLFCFFPRSA-N 1 2 363.414 0.101 40 0 FCABLO COCCn1nnnc1[C@H](c1ccccc1OC)[NH+]1CCC(C(N)=O)CC1 ZINC000057670120 206386810 /nfs/dbraw/zinc/38/68/10/206386810.db2.gz SRDHAVLGODPEHO-INIZCTEOSA-N 1 2 374.445 0.615 40 0 FCABLO CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000257312204 132297007 /nfs/dbraw/zinc/29/70/07/132297007.db2.gz UMWBQDCBASBEBF-SFHVURJKSA-N 1 2 358.446 0.943 40 0 FCABLO COc1ncccc1C[N@@H+]1C[C@H]2OC[C@H](CNS(=O)(=O)C3CC3)[C@H]2C1 ZINC000306130549 488894151 /nfs/dbraw/zinc/89/41/51/488894151.db2.gz JJFYDYOVJKKMTG-NUEKZKHPSA-N 1 2 367.471 0.619 40 0 FCABLO COc1ncccc1C[N@H+]1C[C@H]2OC[C@H](CNS(=O)(=O)C3CC3)[C@H]2C1 ZINC000306130549 488894154 /nfs/dbraw/zinc/89/41/54/488894154.db2.gz JJFYDYOVJKKMTG-NUEKZKHPSA-N 1 2 367.471 0.619 40 0 FCABLO CN(C)c1ncc2c(n1)[C@H]1CN(S(C)(=O)=O)C[C@H]1[N@@H+](CC1CC1)C2 ZINC000306130337 488894525 /nfs/dbraw/zinc/89/45/25/488894525.db2.gz JCWKHFPUMNTTAJ-UONOGXRCSA-N 1 2 351.476 0.496 40 0 FCABLO CN(C)c1ncc2c(n1)[C@H]1CN(S(C)(=O)=O)C[C@H]1[N@H+](CC1CC1)C2 ZINC000306130337 488894529 /nfs/dbraw/zinc/89/45/29/488894529.db2.gz JCWKHFPUMNTTAJ-UONOGXRCSA-N 1 2 351.476 0.496 40 0 FCABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)cn1 ZINC000306143431 488895170 /nfs/dbraw/zinc/89/51/70/488895170.db2.gz YCDHLHBNUVJOMY-OAHLLOKOSA-N 1 2 358.446 0.565 40 0 FCABLO NC(=O)C1CCN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)CC1 ZINC000012142798 487549838 /nfs/dbraw/zinc/54/98/38/487549838.db2.gz PTYSNXHFIPQFCM-UHFFFAOYSA-N 1 2 369.425 0.803 40 0 FCABLO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cn1 ZINC000072380517 488379820 /nfs/dbraw/zinc/37/98/20/488379820.db2.gz GRSBQEITNADWLY-OAHLLOKOSA-N 1 2 358.446 0.995 40 0 FCABLO Cn1cc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cn1 ZINC000072380517 488379821 /nfs/dbraw/zinc/37/98/21/488379821.db2.gz GRSBQEITNADWLY-OAHLLOKOSA-N 1 2 358.446 0.995 40 0 FCABLO Cc1cccc(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c1C ZINC000242414777 488459887 /nfs/dbraw/zinc/45/98/87/488459887.db2.gz BGZAFGZFLMGSSA-UHFFFAOYSA-N 1 2 369.487 0.518 40 0 FCABLO CNC(=O)[C@@H](c1ccccc1OC)[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096113106 488489825 /nfs/dbraw/zinc/48/98/25/488489825.db2.gz GXRGCFSVAJQEPL-DOTOQJQBSA-N 1 2 361.442 0.806 40 0 biogenic,in-vitro FCABLO CNC(=O)[C@@H](c1ccccc1OC)[N@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096113106 488489827 /nfs/dbraw/zinc/48/98/27/488489827.db2.gz GXRGCFSVAJQEPL-DOTOQJQBSA-N 1 2 361.442 0.806 40 0 biogenic,in-vitro FCABLO O=C(COC[C@H]1Cn2c[nH+]cc2CN(c2ncccn2)C1)N1CCCC1 ZINC000096216454 488490852 /nfs/dbraw/zinc/49/08/52/488490852.db2.gz XSOKVBROBDKISE-OAHLLOKOSA-N 1 2 356.430 0.949 40 0 FCABLO CCS(=O)(=O)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096229430 488490992 /nfs/dbraw/zinc/49/09/92/488490992.db2.gz DCJHMHMCHCBXCJ-MRXNPFEDSA-N 1 2 355.460 0.335 40 0 FCABLO CCS(=O)(=O)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096229430 488490995 /nfs/dbraw/zinc/49/09/95/488490995.db2.gz DCJHMHMCHCBXCJ-MRXNPFEDSA-N 1 2 355.460 0.335 40 0 FCABLO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000096225939 488491009 /nfs/dbraw/zinc/49/10/09/488491009.db2.gz LXERCWHKOSOFEW-SFHVURJKSA-N 1 2 369.429 0.556 40 0 FCABLO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000096225939 488491012 /nfs/dbraw/zinc/49/10/12/488491012.db2.gz LXERCWHKOSOFEW-SFHVURJKSA-N 1 2 369.429 0.556 40 0 FCABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(S(C)(=O)=O)CCC2 ZINC000096251267 488491170 /nfs/dbraw/zinc/49/11/70/488491170.db2.gz UDCKRFGYDSHUKW-PBHICJAKSA-N 1 2 366.487 0.648 40 0 FCABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@H](C(=O)NCCOC)C1 ZINC000253493567 488521185 /nfs/dbraw/zinc/52/11/85/488521185.db2.gz UPKZEHOGWDPLLE-CQSZACIVSA-N 1 2 357.476 0.117 40 0 FCABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@H](C(=O)NCCOC)C1 ZINC000253493567 488521187 /nfs/dbraw/zinc/52/11/87/488521187.db2.gz UPKZEHOGWDPLLE-CQSZACIVSA-N 1 2 357.476 0.117 40 0 FCABLO COc1ccc(S(=O)(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)cc1 ZINC000257199656 488522805 /nfs/dbraw/zinc/52/28/05/488522805.db2.gz AAHQTGPIPQCARN-INIZCTEOSA-N 1 2 356.444 0.153 40 0 FCABLO O=C(N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2ncccc2c1 ZINC000257251134 488524100 /nfs/dbraw/zinc/52/41/00/488524100.db2.gz JPNLVFZYYSULBQ-JFIYKMOQSA-N 1 2 354.410 0.288 40 0 FCABLO O=C(N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2ncccc2c1 ZINC000257251134 488524102 /nfs/dbraw/zinc/52/41/02/488524102.db2.gz JPNLVFZYYSULBQ-JFIYKMOQSA-N 1 2 354.410 0.288 40 0 FCABLO Nc1nc(N)c2c([nH+]1)O[C@@]1(CCN(C(=O)CCCNc3ncccn3)C1)C2 ZINC000257288537 488525127 /nfs/dbraw/zinc/52/51/27/488525127.db2.gz PUOYRFGMLOWLEB-KRWDZBQOSA-N 1 2 370.417 0.229 40 0 FCABLO Nc1nc2c(c(N)[nH+]1)C[C@]1(CCN(C(=O)CCCNc3ncccn3)C1)O2 ZINC000257288537 488525129 /nfs/dbraw/zinc/52/51/29/488525129.db2.gz PUOYRFGMLOWLEB-KRWDZBQOSA-N 1 2 370.417 0.229 40 0 FCABLO CNc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1C[N@H+](C)CC2 ZINC000257326621 488525681 /nfs/dbraw/zinc/52/56/81/488525681.db2.gz WXXVNSKWIOGGPA-LLVKDONJSA-N 1 2 354.480 0.102 40 0 FCABLO CNc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1C[N@@H+](C)CC2 ZINC000257326621 488525682 /nfs/dbraw/zinc/52/56/82/488525682.db2.gz WXXVNSKWIOGGPA-LLVKDONJSA-N 1 2 354.480 0.102 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)c2c[nH]nc2C)CC[N@@H+]1CCc1ccccc1 ZINC000257330849 488525755 /nfs/dbraw/zinc/52/57/55/488525755.db2.gz XQHCRUBHZOUNDU-QGZVFWFLSA-N 1 2 355.442 0.833 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)c2c[nH]nc2C)CC[N@H+]1CCc1ccccc1 ZINC000257330849 488525758 /nfs/dbraw/zinc/52/57/58/488525758.db2.gz XQHCRUBHZOUNDU-QGZVFWFLSA-N 1 2 355.442 0.833 40 0 FCABLO O=C(Cn1cc[nH+]c1)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 ZINC000257345038 488526466 /nfs/dbraw/zinc/52/64/66/488526466.db2.gz ZZRKNMIQEWHDSB-HZPDHXFCSA-N 1 2 358.373 0.661 40 0 FCABLO COC(=O)COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000264189822 488653600 /nfs/dbraw/zinc/65/36/00/488653600.db2.gz NWLIWBNKWCNWNR-UHFFFAOYSA-N 1 2 353.400 0.804 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575403966 491552650 /nfs/dbraw/zinc/55/26/50/491552650.db2.gz JQAODDKHQXMIPQ-BMFZPTHFSA-N 1 2 365.474 0.097 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575403966 491552651 /nfs/dbraw/zinc/55/26/51/491552651.db2.gz JQAODDKHQXMIPQ-BMFZPTHFSA-N 1 2 365.474 0.097 40 0 FCABLO CCCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585096117 491719412 /nfs/dbraw/zinc/71/94/12/491719412.db2.gz SIFZKVAKRIHUCQ-CQSZACIVSA-N 1 2 352.416 0.889 40 0 FCABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000585101232 491719601 /nfs/dbraw/zinc/71/96/01/491719601.db2.gz PKMGANKEBHTMNR-GOSISDBHSA-N 1 2 369.429 0.995 40 0 FCABLO C[N@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccco2)[C@@H]1O ZINC000020464009 522965821 /nfs/dbraw/zinc/96/58/21/522965821.db2.gz YGCBRLAVVBDFGT-IEWDOMPSSA-N 1 2 359.426 0.792 40 0 biogenic,in-vitro FCABLO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccco2)[C@@H]1O ZINC000020464009 522965829 /nfs/dbraw/zinc/96/58/29/522965829.db2.gz YGCBRLAVVBDFGT-IEWDOMPSSA-N 1 2 359.426 0.792 40 0 biogenic,in-vitro FCABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1 ZINC000036289241 204374117 /nfs/dbraw/zinc/37/41/17/204374117.db2.gz HYTCRTLHBRWHPC-UHFFFAOYSA-N 1 2 356.444 0.873 40 0 FCABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000015676546 206315303 /nfs/dbraw/zinc/31/53/03/206315303.db2.gz GHQFSSYUKZIUKP-ZDUSSCGKSA-N 1 2 353.375 0.848 40 0 biogenic,in-vitro FCABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccccc1)S(C)(=O)=O ZINC000408627892 533260679 /nfs/dbraw/zinc/26/06/79/533260679.db2.gz RAUFBAGLNDRQPT-AWEZNQCLSA-N 1 2 355.460 0.290 40 0 FCABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000408608498 533376185 /nfs/dbraw/zinc/37/61/85/533376185.db2.gz NJHIVSDHSJBTND-UHFFFAOYSA-N 1 2 354.407 0.995 40 0 FCABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccccc1F ZINC000408622278 533376445 /nfs/dbraw/zinc/37/64/45/533376445.db2.gz VMYBDMPKMHXYEP-UHFFFAOYSA-N 1 2 354.407 0.995 40 0 FCABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257291163 132296862 /nfs/dbraw/zinc/29/68/62/132296862.db2.gz QFYBXNOVFZEMPE-SFHVURJKSA-N 1 2 358.446 0.642 40 0 FCABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257291163 132296863 /nfs/dbraw/zinc/29/68/63/132296863.db2.gz QFYBXNOVFZEMPE-SFHVURJKSA-N 1 2 358.446 0.642 40 0 FCABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccnc3)C2)nc[nH+]1 ZINC000257321035 132297264 /nfs/dbraw/zinc/29/72/64/132297264.db2.gz VZVGGTKPVDDNOH-SFHVURJKSA-N 1 2 356.430 0.699 40 0 FCABLO CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccnc3)C2)[nH+]cn1 ZINC000257321035 132297265 /nfs/dbraw/zinc/29/72/65/132297265.db2.gz VZVGGTKPVDDNOH-SFHVURJKSA-N 1 2 356.430 0.699 40 0 FCABLO CCS(=O)(=O)NC[C@@H]1CN(c2cc(OC)ncn2)Cc2c[nH+]cn21 ZINC000306125458 132301354 /nfs/dbraw/zinc/30/13/54/132301354.db2.gz CRUNWOZHERQMDJ-GFCCVEGCSA-N 1 2 352.420 0.182 40 0 FCABLO O=S(=O)(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cccnc1 ZINC000257319936 229283193 /nfs/dbraw/zinc/28/31/93/229283193.db2.gz VUQYNVVSHPHNOD-BZUAXINKSA-N 1 2 355.460 0.364 40 0 FCABLO CN1CC[NH+](C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 ZINC000514288616 263775470 /nfs/dbraw/zinc/77/54/70/263775470.db2.gz JDQZIHQQUMFLTR-HRCADAONSA-N 1 2 368.865 0.837 40 0 biogenic,in-vitro FCABLO O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363712898 488877660 /nfs/dbraw/zinc/87/76/60/488877660.db2.gz WEXRHCCBRMLKFQ-WBVHZDCISA-N 1 2 373.453 0.930 40 0 FCABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306133813 488894322 /nfs/dbraw/zinc/89/43/22/488894322.db2.gz MWVXWXVAXOITCX-LBPRGKRZSA-N 1 2 362.402 0.152 40 0 FCABLO CC(=O)N1CCn2c(C(=O)N3CC[NH+](C)CC3)nnc2[C@@H]1c1ccccc1 ZINC000306143145 488895273 /nfs/dbraw/zinc/89/52/73/488895273.db2.gz XUMXLEIDDXJVGF-INIZCTEOSA-N 1 2 368.441 0.617 40 0 FCABLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)C1 ZINC000012144571 487549948 /nfs/dbraw/zinc/54/99/48/487549948.db2.gz CNUUQQIDHVIIFB-AWEZNQCLSA-N 1 2 359.474 0.987 40 0 FCABLO C[C@H]1CCCN(C(=O)C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)C1 ZINC000012144571 487549955 /nfs/dbraw/zinc/54/99/55/487549955.db2.gz CNUUQQIDHVIIFB-AWEZNQCLSA-N 1 2 359.474 0.987 40 0 FCABLO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)N1CCCC1 ZINC000012142378 487550046 /nfs/dbraw/zinc/55/00/46/487550046.db2.gz PWHFEDKAPPEEQR-UHFFFAOYSA-N 1 2 364.471 0.805 40 0 FCABLO CS(=O)(=O)N1Cc2ccccc2OC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000012365548 487552725 /nfs/dbraw/zinc/55/27/25/487552725.db2.gz NUSOPJBHCXPEEP-UHFFFAOYSA-N 1 2 353.444 0.161 40 0 FCABLO O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1)[C@@H]1CCCO1 ZINC000019291965 487603257 /nfs/dbraw/zinc/60/32/57/487603257.db2.gz UOIJSWHVNFCOIC-HNNXBMFYSA-N 1 2 361.446 0.725 40 0 FCABLO COC[C@@H](O)C[NH+]1CCN(C(=O)c2nnn(-c3ccccc3)c2C)CC1 ZINC000019557765 487604104 /nfs/dbraw/zinc/60/41/04/487604104.db2.gz DMBAYHCHNSJUER-INIZCTEOSA-N 1 2 359.430 0.341 40 0 FCABLO Cc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000026456054 487681596 /nfs/dbraw/zinc/68/15/96/487681596.db2.gz PQQUJMQGZFFILG-UHFFFAOYSA-N 1 2 355.460 0.209 40 0 FCABLO CS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000247493372 488486284 /nfs/dbraw/zinc/48/62/84/488486284.db2.gz CERIZNGLYGEPRV-CYBMUJFWSA-N 1 2 354.457 0.620 40 0 FCABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cnccn1)C2 ZINC000096062371 488489220 /nfs/dbraw/zinc/48/92/20/488489220.db2.gz BWOCSHRMTMPXGW-SFHVURJKSA-N 1 2 356.430 0.575 40 0 FCABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cnccn1)C2 ZINC000096062371 488489222 /nfs/dbraw/zinc/48/92/22/488489222.db2.gz BWOCSHRMTMPXGW-SFHVURJKSA-N 1 2 356.430 0.575 40 0 FCABLO O=C(c1ccnnc1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197582 488490400 /nfs/dbraw/zinc/49/04/00/488490400.db2.gz XYGQNTWNHDPFCR-UHFFFAOYSA-N 1 2 351.370 0.324 40 0 FCABLO COCC[N@@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251955 488490681 /nfs/dbraw/zinc/49/06/81/488490681.db2.gz JFEFUOPDRDIWKA-UONOGXRCSA-N 1 2 352.460 0.419 40 0 FCABLO COCC[N@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251955 488490683 /nfs/dbraw/zinc/49/06/83/488490683.db2.gz JFEFUOPDRDIWKA-UONOGXRCSA-N 1 2 352.460 0.419 40 0 FCABLO COCC[N@@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251933 488490876 /nfs/dbraw/zinc/49/08/76/488490876.db2.gz DNQAZQVRAGYANC-UONOGXRCSA-N 1 2 352.460 0.641 40 0 FCABLO COCC[N@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251933 488490879 /nfs/dbraw/zinc/49/08/79/488490879.db2.gz DNQAZQVRAGYANC-UONOGXRCSA-N 1 2 352.460 0.641 40 0 FCABLO C[NH+]1CCN(C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)CC1 ZINC000096266075 488490901 /nfs/dbraw/zinc/49/09/01/488490901.db2.gz ROEQDQXRGBTJBR-UHFFFAOYSA-N 1 2 361.427 0.052 40 0 FCABLO COc1cc(N2CC3(C2)C[N@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)ncn1 ZINC000248048891 488493389 /nfs/dbraw/zinc/49/33/89/488493389.db2.gz XDFJCPNTUFPUCQ-CQSZACIVSA-N 1 2 361.446 0.243 40 0 FCABLO COc1cc(N2CC3(C2)C[N@@H+](CC2CC2)[C@@H](C(=O)N(C)C)CO3)ncn1 ZINC000248048891 488493392 /nfs/dbraw/zinc/49/33/92/488493392.db2.gz XDFJCPNTUFPUCQ-CQSZACIVSA-N 1 2 361.446 0.243 40 0 FCABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@@H](CNC(=O)CC2CC2)C1 ZINC000253489532 488520411 /nfs/dbraw/zinc/52/04/11/488520411.db2.gz FNORZEGKOGSMTB-HNNXBMFYSA-N 1 2 354.476 0.591 40 0 FCABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1 ZINC000253492701 488520977 /nfs/dbraw/zinc/52/09/77/488520977.db2.gz QVURXLFSHRMUOH-OAHLLOKOSA-N 1 2 353.488 0.881 40 0 FCABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1 ZINC000253492701 488520978 /nfs/dbraw/zinc/52/09/78/488520978.db2.gz QVURXLFSHRMUOH-OAHLLOKOSA-N 1 2 353.488 0.881 40 0 FCABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)nc[nH+]1 ZINC000257289796 488525390 /nfs/dbraw/zinc/52/53/90/488525390.db2.gz QAFHANIMBPTQBA-GOSISDBHSA-N 1 2 356.430 0.710 40 0 FCABLO O=C(Nc1ccc(F)cc1F)N[C@H]1CO[C@@H](C[NH+]2CCOCC2)[C@@H]1O ZINC000514289284 490769094 /nfs/dbraw/zinc/76/90/94/490769094.db2.gz PEFUEQZDUWBCPK-SOUVJXGZSA-N 1 2 357.357 0.547 40 0 biogenic,in-vitro FCABLO CNC(=O)[C@@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)C[N@@H+]1CC1CC1 ZINC000585109370 491719828 /nfs/dbraw/zinc/71/98/28/491719828.db2.gz MASTWZOIRUHCTF-KRWDZBQOSA-N 1 2 361.490 0.875 40 0 FCABLO CNC(=O)[C@@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)C[N@H+]1CC1CC1 ZINC000585109370 491719830 /nfs/dbraw/zinc/71/98/30/491719830.db2.gz MASTWZOIRUHCTF-KRWDZBQOSA-N 1 2 361.490 0.875 40 0 FCABLO O=C(c1ccc(F)c(Cl)c1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288237 491721339 /nfs/dbraw/zinc/72/13/39/491721339.db2.gz SEMAVBKRGSKWIS-KFWWJZLASA-N 1 2 358.797 0.358 40 0 FCABLO CC(=O)N[C@H]1CC2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)OC[C@]1(C)O ZINC000585291285 491721621 /nfs/dbraw/zinc/72/16/21/491721621.db2.gz OMVYJAXLFPKBSH-PKOQZONYSA-N 1 2 362.430 0.460 40 0 FCABLO CO[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585292100 491721722 /nfs/dbraw/zinc/72/17/22/491721722.db2.gz XGESOBKPOFWHLZ-XLYSIVADSA-N 1 2 365.474 0.361 40 0 FCABLO O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]c[nH]3)C2)C1 ZINC000604381746 492059728 /nfs/dbraw/zinc/05/97/28/492059728.db2.gz MNMMDIISAHSIJC-GOSISDBHSA-N 1 2 367.453 0.821 40 0 biogenic,in-vitro FCABLO O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3c[nH]c[nH+]3)C2)C1 ZINC000604381746 492059730 /nfs/dbraw/zinc/05/97/30/492059730.db2.gz MNMMDIISAHSIJC-GOSISDBHSA-N 1 2 367.453 0.821 40 0 biogenic,in-vitro FCABLO CN1C(=O)CN(CC(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1=O ZINC000629949102 492708111 /nfs/dbraw/zinc/70/81/11/492708111.db2.gz NQSIVJLTAYGEJJ-UHFFFAOYSA-N 1 2 372.385 0.232 40 0 FCABLO CN(Cc1ccc(/C=C/C(=O)NCC[NH+]2CCOCC2)o1)S(C)(=O)=O ZINC000020450102 523197733 /nfs/dbraw/zinc/19/77/33/523197733.db2.gz RWFJZWUHLWYUPB-AATRIKPKSA-N 1 2 371.459 0.133 40 0 FCABLO NS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332680837 546854508 /nfs/dbraw/zinc/85/45/08/546854508.db2.gz FPZJXZBLMSCLEO-STQMWFEESA-N 1 2 353.448 0.123 40 0 FCABLO Cn1cc(C[N@@H+]2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@H]3C2)cn1 ZINC001549160991 1267840423 /nfs/dbraw/zinc/84/04/23/1267840423.db2.gz IVFULCHDJKBTDT-OAHLLOKOSA-N 1 2 372.404 0.850 40 0 FCABLO Cn1cc(C[N@H+]2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@H]3C2)cn1 ZINC001549160991 1267840434 /nfs/dbraw/zinc/84/04/34/1267840434.db2.gz IVFULCHDJKBTDT-OAHLLOKOSA-N 1 2 372.404 0.850 40 0 FCABLO CCN(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000039986011 205049412 /nfs/dbraw/zinc/04/94/12/205049412.db2.gz HPOBIJXPKNVQQL-UHFFFAOYSA-N 1 2 355.460 0.146 40 0 FCABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257291162 132296720 /nfs/dbraw/zinc/29/67/20/132296720.db2.gz QFYBXNOVFZEMPE-GOSISDBHSA-N 1 2 358.446 0.642 40 0 FCABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257291162 132296722 /nfs/dbraw/zinc/29/67/22/132296722.db2.gz QFYBXNOVFZEMPE-GOSISDBHSA-N 1 2 358.446 0.642 40 0 FCABLO CCn1cc(C[N@H+]2Cc3ccnn3C[C@H](CCNC(=O)COC)C2)cn1 ZINC000306133836 488894336 /nfs/dbraw/zinc/89/43/36/488894336.db2.gz MXPZNWZIOJUPEU-OAHLLOKOSA-N 1 2 360.462 0.884 40 0 FCABLO CCn1cc(C[N@@H+]2Cc3ccnn3C[C@H](CCNC(=O)COC)C2)cn1 ZINC000306133836 488894340 /nfs/dbraw/zinc/89/43/40/488894340.db2.gz MXPZNWZIOJUPEU-OAHLLOKOSA-N 1 2 360.462 0.884 40 0 FCABLO O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1)[C@H]1CCCO1 ZINC000019291966 487603270 /nfs/dbraw/zinc/60/32/70/487603270.db2.gz UOIJSWHVNFCOIC-OAHLLOKOSA-N 1 2 361.446 0.725 40 0 FCABLO COCC(=O)N1CC[C@H](c2ccnc3c(C[NH+]4CCOCC4)c(C)nn32)C1 ZINC000019707743 487606904 /nfs/dbraw/zinc/60/69/04/487606904.db2.gz LFLVDKWFLAIIBD-HNNXBMFYSA-N 1 2 373.457 0.832 40 0 FCABLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cccnc2N(C)C)CC1 ZINC000072391791 488379716 /nfs/dbraw/zinc/37/97/16/488379716.db2.gz JKFPLVLXRDLCKF-UHFFFAOYSA-N 1 2 355.508 0.852 40 0 FCABLO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCC[NH+](C)C)s2)c1 ZINC000223653761 488449108 /nfs/dbraw/zinc/44/91/08/488449108.db2.gz VQVOLKZHHYIXRC-UHFFFAOYSA-N 1 2 369.472 0.939 40 0 FCABLO O=S1(=O)CC[C@H](COc2ncccn2)C12C[NH+](CC1CCOCC1)C2 ZINC000247343694 488484765 /nfs/dbraw/zinc/48/47/65/488484765.db2.gz TTWSOTXQJBWING-OAHLLOKOSA-N 1 2 367.471 0.771 40 0 FCABLO O=C(N[C@@H]1C[N@@H+]2CCOC[C@H]2[C@@H]1OCc1ccccn1)c1cnccn1 ZINC000247506846 488487123 /nfs/dbraw/zinc/48/71/23/488487123.db2.gz RRZYVDHPZKKHNB-IXDOHACOSA-N 1 2 355.398 0.270 40 0 FCABLO O=C(N[C@@H]1C[N@H+]2CCOC[C@H]2[C@@H]1OCc1ccccn1)c1cnccn1 ZINC000247506846 488487126 /nfs/dbraw/zinc/48/71/26/488487126.db2.gz RRZYVDHPZKKHNB-IXDOHACOSA-N 1 2 355.398 0.270 40 0 FCABLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccccc1)CCC2 ZINC000096197625 488490223 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Cn1nccc1CCC(=O)N1CC[N@@H+](CCc2ccccc2)[C@H](C(N)=O)C1 ZINC000257281203 488524872 /nfs/dbraw/zinc/52/48/72/488524872.db2.gz OOCKPWVKNGCGNO-SFHVURJKSA-N 1 2 369.469 0.594 40 0 FCABLO O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257286695 488525176 /nfs/dbraw/zinc/52/51/76/488525176.db2.gz PMPORMBELSVCCP-MBOZVWFJSA-N 1 2 357.454 0.158 40 0 FCABLO O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257286695 488525178 /nfs/dbraw/zinc/52/51/78/488525178.db2.gz PMPORMBELSVCCP-MBOZVWFJSA-N 1 2 357.454 0.158 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)COc2cccc(N(C)C)c2)CC[N@@H+]1C(C)C ZINC000257322737 488525672 /nfs/dbraw/zinc/52/56/72/488525672.db2.gz WHENBNIJWLBJAG-QGZVFWFLSA-N 1 2 362.474 0.799 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)COc2cccc(N(C)C)c2)CC[N@H+]1C(C)C ZINC000257322737 488525673 /nfs/dbraw/zinc/52/56/73/488525673.db2.gz WHENBNIJWLBJAG-QGZVFWFLSA-N 1 2 362.474 0.799 40 0 FCABLO CC(C)C(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(C(=O)Cc3ccccc3)C2)C1 ZINC000514290435 490768913 /nfs/dbraw/zinc/76/89/13/490768913.db2.gz ZLSZGOXVOIRTDI-QZTJIDSGSA-N 1 2 371.481 0.744 40 0 biogenic,in-vitro FCABLO CC(C)C(=O)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(C(=O)Cc3ccccc3)C2)C1 ZINC000514290435 490768917 /nfs/dbraw/zinc/76/89/17/490768917.db2.gz ZLSZGOXVOIRTDI-QZTJIDSGSA-N 1 2 371.481 0.744 40 0 biogenic,in-vitro FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@@H+]1CC1CC1 ZINC000575405927 491552630 /nfs/dbraw/zinc/55/26/30/491552630.db2.gz VBYRRKJIRWUKKM-INIZCTEOSA-N 1 2 365.474 0.241 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@H+]1CC1CC1 ZINC000575405927 491552631 /nfs/dbraw/zinc/55/26/31/491552631.db2.gz VBYRRKJIRWUKKM-INIZCTEOSA-N 1 2 365.474 0.241 40 0 FCABLO Cc1cnc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000585097581 491719283 /nfs/dbraw/zinc/71/92/83/491719283.db2.gz MUSOWXPDWLZEKU-OAHLLOKOSA-N 1 2 356.430 0.728 40 0 FCABLO O=C(CCc1ccc(F)cc1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287744 491721257 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0.506 40 0 FCABLO O=C1CO[C@@]2(CN1c1cncnc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096240166 132224080 /nfs/dbraw/zinc/22/40/80/132224080.db2.gz VKSYFPUUUORJIM-SFHVURJKSA-N 1 2 355.398 0.506 40 0 FCABLO CC(C)Nc1nc(N2CCOCC2)[nH+]c2c1CN(CC(=O)N(C)C)CC2 ZINC000096254301 132224375 /nfs/dbraw/zinc/22/43/75/132224375.db2.gz ONEVPSRPQFELSF-UHFFFAOYSA-N 1 2 362.478 0.580 40 0 FCABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 ZINC000012121613 487548708 /nfs/dbraw/zinc/54/87/08/487548708.db2.gz OCSIWMODMFEDLM-MGPUTAFESA-N 1 2 373.453 0.939 40 0 FCABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NC[C@@H]1CCCO1 ZINC000012121613 487548710 /nfs/dbraw/zinc/54/87/10/487548710.db2.gz OCSIWMODMFEDLM-MGPUTAFESA-N 1 2 373.453 0.939 40 0 FCABLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000016309316 487587819 /nfs/dbraw/zinc/58/78/19/487587819.db2.gz QNDVFZUVCUSHNF-UHFFFAOYSA-N 1 2 355.460 0.064 40 0 FCABLO COCC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000019576146 487604850 /nfs/dbraw/zinc/60/48/50/487604850.db2.gz YELASBLNYHJEAH-GUXCAODWSA-N 1 2 371.437 0.864 40 0 FCABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]21 ZINC000067897656 488357774 /nfs/dbraw/zinc/35/77/74/488357774.db2.gz SURWPDUSJYLFOK-CVEARBPZSA-N 1 2 369.425 0.742 40 0 biogenic,in-vitro FCABLO O=S1(=O)CC[C@@H](COc2ncccn2)C12C[NH+](CC1CCOCC1)C2 ZINC000247343676 488484875 /nfs/dbraw/zinc/48/48/75/488484875.db2.gz TTWSOTXQJBWING-HNNXBMFYSA-N 1 2 367.471 0.771 40 0 FCABLO CC(C)NC(=O)N1CC[N@H+](Cc2nccs2)C[C@]2(CNC(=O)C2)C1 ZINC000096035993 488488493 /nfs/dbraw/zinc/48/84/93/488488493.db2.gz HVHBJSZGVDUAFZ-INIZCTEOSA-N 1 2 351.476 0.885 40 0 FCABLO CC(C)NC(=O)N1CC[N@@H+](Cc2nccs2)C[C@]2(CNC(=O)C2)C1 ZINC000096035993 488488495 /nfs/dbraw/zinc/48/84/95/488488495.db2.gz HVHBJSZGVDUAFZ-INIZCTEOSA-N 1 2 351.476 0.885 40 0 FCABLO CN(C)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC000096045027 488489092 /nfs/dbraw/zinc/48/90/92/488489092.db2.gz JXGBOPUZMNFZJS-CQSZACIVSA-N 1 2 351.451 0.350 40 0 FCABLO Cn1cc(C[N@@H+]2CCn3cc(CNC(=O)c4cccn4C)nc3C2)cn1 ZINC000096059478 488489200 /nfs/dbraw/zinc/48/92/00/488489200.db2.gz SSVKWUOBZRJCDM-UHFFFAOYSA-N 1 2 353.430 0.901 40 0 FCABLO Cn1cc(C[N@H+]2CCn3cc(CNC(=O)c4cccn4C)nc3C2)cn1 ZINC000096059478 488489202 /nfs/dbraw/zinc/48/92/02/488489202.db2.gz SSVKWUOBZRJCDM-UHFFFAOYSA-N 1 2 353.430 0.901 40 0 FCABLO Cc1c[nH+]c2n1CCN(S(C)(=O)=O)C21CCN(C(=O)NC(C)C)CC1 ZINC000096144929 488489665 /nfs/dbraw/zinc/48/96/65/488489665.db2.gz YOYCYJGSGWEPAZ-UHFFFAOYSA-N 1 2 369.491 0.876 40 0 FCABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]2N1S(C)(=O)=O ZINC000096182838 488490201 /nfs/dbraw/zinc/49/02/01/488490201.db2.gz ZHXGYPWWQAAQIR-RTXFEEFZSA-N 1 2 358.489 0.032 40 0 FCABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]2N1S(C)(=O)=O ZINC000096182838 488490203 /nfs/dbraw/zinc/49/02/03/488490203.db2.gz ZHXGYPWWQAAQIR-RTXFEEFZSA-N 1 2 358.489 0.032 40 0 FCABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2[N@@H+]1C(C)C ZINC000096182671 488490218 /nfs/dbraw/zinc/49/02/18/488490218.db2.gz ABFHXXBWLJLPBN-UPJWGTAASA-N 1 2 357.501 0.966 40 0 FCABLO CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2[N@H+]1C(C)C ZINC000096182671 488490219 /nfs/dbraw/zinc/49/02/19/488490219.db2.gz ABFHXXBWLJLPBN-UPJWGTAASA-N 1 2 357.501 0.966 40 0 FCABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)C[N@@H+]1CC1CC1 ZINC000247952965 488492366 /nfs/dbraw/zinc/49/23/66/488492366.db2.gz MTAXFXGNIYCBAY-HNNXBMFYSA-N 1 2 374.441 0.603 40 0 FCABLO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)C[N@H+]1CC1CC1 ZINC000247952965 488492368 /nfs/dbraw/zinc/49/23/68/488492368.db2.gz MTAXFXGNIYCBAY-HNNXBMFYSA-N 1 2 374.441 0.603 40 0 FCABLO Cc1noc(C)c1C(=O)N1Cc2c[nH+]cn2[C@@H](CNS(C)(=O)=O)C1 ZINC000251975162 488517409 /nfs/dbraw/zinc/51/74/09/488517409.db2.gz DDNAGJFLKQTACA-LBPRGKRZSA-N 1 2 353.404 0.234 40 0 FCABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@@H](C(=O)NCCOC)C1 ZINC000253493566 488521087 /nfs/dbraw/zinc/52/10/87/488521087.db2.gz UPKZEHOGWDPLLE-AWEZNQCLSA-N 1 2 357.476 0.117 40 0 FCABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@@H](C(=O)NCCOC)C1 ZINC000253493566 488521089 /nfs/dbraw/zinc/52/10/89/488521089.db2.gz UPKZEHOGWDPLLE-AWEZNQCLSA-N 1 2 357.476 0.117 40 0 FCABLO O=C(NC[C@]1(O)C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1O)c1cnc[nH]1 ZINC000257268162 488524401 /nfs/dbraw/zinc/52/44/01/488524401.db2.gz MKMJPAWKTLTEBR-ZBFHGGJFSA-N 1 2 352.341 0.026 40 0 FCABLO O=C(NC[C@]1(O)C[N@H+](Cc2cc(F)ccc2F)C[C@H]1O)c1cnc[nH]1 ZINC000257268162 488524404 /nfs/dbraw/zinc/52/44/04/488524404.db2.gz MKMJPAWKTLTEBR-ZBFHGGJFSA-N 1 2 352.341 0.026 40 0 FCABLO CNc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1C[N@H+](C)CC2 ZINC000257326622 488525996 /nfs/dbraw/zinc/52/59/96/488525996.db2.gz WXXVNSKWIOGGPA-NSHDSACASA-N 1 2 354.480 0.102 40 0 FCABLO CNc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1C[N@@H+](C)CC2 ZINC000257326622 488525999 /nfs/dbraw/zinc/52/59/99/488525999.db2.gz WXXVNSKWIOGGPA-NSHDSACASA-N 1 2 354.480 0.102 40 0 FCABLO Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257330951 488526107 /nfs/dbraw/zinc/52/61/07/488526107.db2.gz XQTBWAOADIAHOL-SFHVURJKSA-N 1 2 358.446 0.780 40 0 FCABLO COc1ccc(S(=O)(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)cc1F ZINC000585094861 491719451 /nfs/dbraw/zinc/71/94/51/491719451.db2.gz QTBGHYNAFIBVSI-JTQLQIEISA-N 1 2 355.391 0.676 40 0 FCABLO Cn1cnc(C(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)n1 ZINC000585110611 491720120 /nfs/dbraw/zinc/72/01/20/491720120.db2.gz ISNZXDBCRGRABR-UHFFFAOYSA-N 1 2 357.418 0.126 40 0 FCABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2c(C)nn(C)c2OC)CCO1 ZINC000585277144 491720830 /nfs/dbraw/zinc/72/08/30/491720830.db2.gz FYFWPJIKERZPHP-KRWDZBQOSA-N 1 2 354.451 0.433 40 0 FCABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2c(C)nn(C)c2OC)CCO1 ZINC000585277144 491720832 /nfs/dbraw/zinc/72/08/32/491720832.db2.gz FYFWPJIKERZPHP-KRWDZBQOSA-N 1 2 354.451 0.433 40 0 FCABLO O=C(c1cccc2cccnc21)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288191 491721380 /nfs/dbraw/zinc/72/13/80/491721380.db2.gz QPCFNFFZRMQNGL-NUJGCVRESA-N 1 2 357.410 0.113 40 0 FCABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)CC1 ZINC000408616978 529150397 /nfs/dbraw/zinc/15/03/97/529150397.db2.gz BWUIIJPBCNDWQJ-UHFFFAOYSA-N 1 2 369.487 0.697 40 0 FCABLO Cn1cnc(S(=O)(=O)N2Cc3c[nH+]cn3[C@@H](COCC3CC3)C2)c1 ZINC000306124677 203782024 /nfs/dbraw/zinc/78/20/24/203782024.db2.gz BWHVVNAUSMITEQ-CQSZACIVSA-N 1 2 351.432 0.789 40 0 FCABLO CN(C)C(=O)N1C[C@@]2(CO[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000096144558 205833538 /nfs/dbraw/zinc/83/35/38/205833538.db2.gz SVQPCGFFSUARSB-XLIONFOSSA-N 1 2 372.469 0.989 40 0 FCABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000408615903 533377383 /nfs/dbraw/zinc/37/73/83/533377383.db2.gz CUKBHGXQFPVCNI-UHFFFAOYSA-N 1 2 354.407 0.995 40 0 FCABLO CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cnn(C)c3)C2)nc[nH+]1 ZINC000257275386 132296398 /nfs/dbraw/zinc/29/63/98/132296398.db2.gz NPDURHZDVRSANK-QGZVFWFLSA-N 1 2 359.434 0.355 40 0 FCABLO CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cnn(C)c3)C2)[nH+]cn1 ZINC000257275386 132296400 /nfs/dbraw/zinc/29/64/00/132296400.db2.gz NPDURHZDVRSANK-QGZVFWFLSA-N 1 2 359.434 0.355 40 0 FCABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccnc3)C2)nc[nH+]1 ZINC000257321034 132297270 /nfs/dbraw/zinc/29/72/70/132297270.db2.gz VZVGGTKPVDDNOH-GOSISDBHSA-N 1 2 356.430 0.699 40 0 FCABLO CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccnc3)C2)[nH+]cn1 ZINC000257321034 132297272 /nfs/dbraw/zinc/29/72/72/132297272.db2.gz VZVGGTKPVDDNOH-GOSISDBHSA-N 1 2 356.430 0.699 40 0 FCABLO Cc1cc(N2Cc3c[nH+]cn3[C@@H](COCC(=O)N(C)C)C2)n2ncnc2n1 ZINC000306134647 132301728 /nfs/dbraw/zinc/30/17/28/132301728.db2.gz NUIPVSRUUIXHIH-CQSZACIVSA-N 1 2 370.417 0.295 40 0 FCABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2nccn2C)C3)C[C@@H](C)O1 ZINC000072335577 136144358 /nfs/dbraw/zinc/14/43/58/136144358.db2.gz HFWHTIYKUNDYOP-CHWSQXEVSA-N 1 2 358.446 0.675 40 0 FCABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2nccn2C)C3)C[C@@H](C)O1 ZINC000072335577 136144359 /nfs/dbraw/zinc/14/43/59/136144359.db2.gz HFWHTIYKUNDYOP-CHWSQXEVSA-N 1 2 358.446 0.675 40 0 FCABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)N3CC(F)(F)C3)C2)n(C)n1 ZINC000306140425 488894559 /nfs/dbraw/zinc/89/45/59/488894559.db2.gz UTJCJJLFMDKJML-CQSZACIVSA-N 1 2 350.373 0.959 40 0 FCABLO COCc1nnc(NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)s1 ZINC000019594507 487605259 /nfs/dbraw/zinc/60/52/59/487605259.db2.gz AUODSHWOCLNFGJ-NSHDSACASA-N 1 2 353.448 0.756 40 0 FCABLO COCc1nnc(NC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)s1 ZINC000019594507 487605266 /nfs/dbraw/zinc/60/52/66/487605266.db2.gz AUODSHWOCLNFGJ-NSHDSACASA-N 1 2 353.448 0.756 40 0 FCABLO O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)NCc1[nH]cc[nH+]1 ZINC000019749938 487606610 /nfs/dbraw/zinc/60/66/10/487606610.db2.gz ODCQECMXSQHESQ-UHFFFAOYSA-N 1 2 357.414 0.950 40 0 FCABLO CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@H+](C)CC2 ZINC000019711591 487606877 /nfs/dbraw/zinc/60/68/77/487606877.db2.gz CSIPORDZQPSZEG-MRXNPFEDSA-N 1 2 374.489 0.720 40 0 FCABLO CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@@H+](C)CC2 ZINC000019711591 487606882 /nfs/dbraw/zinc/60/68/82/487606882.db2.gz CSIPORDZQPSZEG-MRXNPFEDSA-N 1 2 374.489 0.720 40 0 FCABLO C[NH+]1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000038858548 487808569 /nfs/dbraw/zinc/80/85/69/487808569.db2.gz HYLMRZMEORLJHU-AWEZNQCLSA-N 1 2 373.862 0.641 40 0 FCABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccnc3)C2)C1=O ZINC000225380511 488449907 /nfs/dbraw/zinc/44/99/07/488449907.db2.gz LUAPRRXFAJZXMV-CVEARBPZSA-N 1 2 358.442 0.240 40 0 biogenic,in-vitro FCABLO CN(C)c1cc(NC[C@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)[nH+]cn1 ZINC000096063525 488489157 /nfs/dbraw/zinc/48/91/57/488489157.db2.gz IHSOYUCGVKFNMZ-MLGOLLRUSA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)c1cc(NC[C@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)nc[nH+]1 ZINC000096063525 488489158 /nfs/dbraw/zinc/48/91/58/488489158.db2.gz IHSOYUCGVKFNMZ-MLGOLLRUSA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)C(=O)C[N@@H+]1CCOC[C@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096229418 488490703 /nfs/dbraw/zinc/49/07/03/488490703.db2.gz IRYCGDXRGHVXPZ-KRWDZBQOSA-N 1 2 353.488 0.740 40 0 FCABLO CN(C)C(=O)C[N@H+]1CCOC[C@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096229418 488490705 /nfs/dbraw/zinc/49/07/05/488490705.db2.gz IRYCGDXRGHVXPZ-KRWDZBQOSA-N 1 2 353.488 0.740 40 0 FCABLO CN(C)C(=O)C[N@@H+]1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096229419 488490732 /nfs/dbraw/zinc/49/07/32/488490732.db2.gz IRYCGDXRGHVXPZ-QGZVFWFLSA-N 1 2 353.488 0.740 40 0 FCABLO CN(C)C(=O)C[N@H+]1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096229419 488490734 /nfs/dbraw/zinc/49/07/34/488490734.db2.gz IRYCGDXRGHVXPZ-QGZVFWFLSA-N 1 2 353.488 0.740 40 0 FCABLO CC[N@@H+]1CCNC(=O)C12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000096230165 488491147 /nfs/dbraw/zinc/49/11/47/488491147.db2.gz GCSDSCDEVFMFPS-UHFFFAOYSA-N 1 2 367.471 0.670 40 0 FCABLO CC[N@H+]1CCNC(=O)C12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000096230165 488491149 /nfs/dbraw/zinc/49/11/49/488491149.db2.gz GCSDSCDEVFMFPS-UHFFFAOYSA-N 1 2 367.471 0.670 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)C3CCSCC3)C2)C[N@@H+]1CC1CC1 ZINC000247979993 488492402 /nfs/dbraw/zinc/49/24/02/488492402.db2.gz XFWJYURGQPXFKE-OAHLLOKOSA-N 1 2 367.515 0.567 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)C3CCSCC3)C2)C[N@H+]1CC1CC1 ZINC000247979993 488492404 /nfs/dbraw/zinc/49/24/04/488492404.db2.gz XFWJYURGQPXFKE-OAHLLOKOSA-N 1 2 367.515 0.567 40 0 FCABLO CN(C)C(=O)[C@H]1COC2(CN(Cc3nccs3)C2)C[N@@H+]1CC1CC1 ZINC000248004561 488492573 /nfs/dbraw/zinc/49/25/73/488492573.db2.gz OHCJAAPHBVSCQV-CQSZACIVSA-N 1 2 350.488 0.897 40 0 FCABLO CN(C)C(=O)[C@H]1COC2(CN(Cc3nccs3)C2)C[N@H+]1CC1CC1 ZINC000248004561 488492575 /nfs/dbraw/zinc/49/25/75/488492575.db2.gz OHCJAAPHBVSCQV-CQSZACIVSA-N 1 2 350.488 0.897 40 0 FCABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@H](CNC(=O)CC2CC2)C1 ZINC000253489533 488520501 /nfs/dbraw/zinc/52/05/01/488520501.db2.gz FNORZEGKOGSMTB-OAHLLOKOSA-N 1 2 354.476 0.591 40 0 FCABLO Cn1cc(C(=O)N2CC[N@H+](CCc3ccccc3)[C@@H](C(N)=O)C2)ccc1=O ZINC000257223113 488523368 /nfs/dbraw/zinc/52/33/68/488523368.db2.gz DVXJNNFHSQDFOK-QGZVFWFLSA-N 1 2 368.437 0.240 40 0 FCABLO Cn1cc(C(=O)N2CC[N@@H+](CCc3ccccc3)[C@@H](C(N)=O)C2)ccc1=O ZINC000257223113 488523369 /nfs/dbraw/zinc/52/33/69/488523369.db2.gz DVXJNNFHSQDFOK-QGZVFWFLSA-N 1 2 368.437 0.240 40 0 FCABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3cccnc3OC)C2)nc[nH+]1 ZINC000257257702 488524063 /nfs/dbraw/zinc/52/40/63/488524063.db2.gz KQUBODLPTMKRJR-KRWDZBQOSA-N 1 2 358.402 0.293 40 0 FCABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3cccnc3OC)C2)[nH+]cn1 ZINC000257257702 488524066 /nfs/dbraw/zinc/52/40/66/488524066.db2.gz KQUBODLPTMKRJR-KRWDZBQOSA-N 1 2 358.402 0.293 40 0 FCABLO C[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)CC[C@@H]2O)CC1 ZINC000257238297 488524256 /nfs/dbraw/zinc/52/42/56/488524256.db2.gz HKIYPBPDGBBKPA-IRXDYDNUSA-N 1 2 357.458 0.776 40 0 FCABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)nc[nH+]1 ZINC000257289797 488525107 /nfs/dbraw/zinc/52/51/07/488525107.db2.gz QAFHANIMBPTQBA-SFHVURJKSA-N 1 2 356.430 0.710 40 0 FCABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)cc[nH+]1 ZINC000257298878 488525335 /nfs/dbraw/zinc/52/53/35/488525335.db2.gz RNPQVEXRJAWWGN-AWEZNQCLSA-N 1 2 352.460 0.703 40 0 FCABLO Cc1nn(C)cc1S(=O)(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257331099 488525731 /nfs/dbraw/zinc/52/57/31/488525731.db2.gz XRIOQKYYCTWTHY-OAHLLOKOSA-N 1 2 351.432 0.043 40 0 FCABLO Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257330950 488526051 /nfs/dbraw/zinc/52/60/51/488526051.db2.gz XQTBWAOADIAHOL-GOSISDBHSA-N 1 2 358.446 0.780 40 0 FCABLO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC[C@@H]2O)CC1 ZINC000257336953 488526298 /nfs/dbraw/zinc/52/62/98/488526298.db2.gz YQTXCLOTBLMRBL-IRXDYDNUSA-N 1 2 358.446 0.171 40 0 FCABLO O[C@@H]1COC[C@@H]([NH+]2CCN(Cc3cccn3-c3ccccn3)CC2)[C@@H]1O ZINC000585290482 491721790 /nfs/dbraw/zinc/72/17/90/491721790.db2.gz DTDJALUGELESLP-LMMKCTJWSA-N 1 2 358.442 0.111 40 0 FCABLO O[C@@H]1COC[C@@H](N2CC[NH+](Cc3cccn3-c3ccccn3)CC2)[C@@H]1O ZINC000585290482 491721791 /nfs/dbraw/zinc/72/17/91/491721791.db2.gz DTDJALUGELESLP-LMMKCTJWSA-N 1 2 358.442 0.111 40 0 FCABLO CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1 ZINC000010339080 527014092 /nfs/dbraw/zinc/01/40/92/527014092.db2.gz CIURQOUQRIMXGP-JTQLQIEISA-N 1 2 355.358 0.664 40 0 FCABLO COc1cc(N2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1 ZINC000247902596 536833617 /nfs/dbraw/zinc/83/36/17/536833617.db2.gz RHAXPRJWKOPDPS-OAHLLOKOSA-N 1 2 372.429 0.786 40 0 FCABLO Cn1cccc1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197580 205849445 /nfs/dbraw/zinc/84/94/45/205849445.db2.gz HEFMPCJSVKDYMO-UHFFFAOYSA-N 1 2 352.398 0.873 40 0 FCABLO C[N@@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464430 206331701 /nfs/dbraw/zinc/33/17/01/206331701.db2.gz XQBPANGVYOYXIZ-QWRGUYRKSA-N 1 2 366.399 0.760 40 0 biogenic,in-vitro FCABLO C[N@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464430 206331703 /nfs/dbraw/zinc/33/17/03/206331703.db2.gz XQBPANGVYOYXIZ-QWRGUYRKSA-N 1 2 366.399 0.760 40 0 biogenic,in-vitro FCABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220311314 206398852 /nfs/dbraw/zinc/39/88/52/206398852.db2.gz KWBMWEZMEMDGKZ-ZDUSSCGKSA-N 1 2 373.450 0.429 40 0 FCABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3n[nH]c4c3CCC4)C2)nc[nH+]1 ZINC000257302832 132296705 /nfs/dbraw/zinc/29/67/05/132296705.db2.gz SEQWUIDKSLPVHO-GOSISDBHSA-N 1 2 356.430 0.758 40 0 FCABLO CN(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000306124476 488893532 /nfs/dbraw/zinc/89/35/32/488893532.db2.gz BQSONUCDRPOTKZ-GFCCVEGCSA-N 1 2 355.395 0.659 40 0 FCABLO CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)nc[nH+]1 ZINC000306140477 488894586 /nfs/dbraw/zinc/89/45/86/488894586.db2.gz UUOCRAXDNVITMP-GZBFAFLISA-N 1 2 371.445 0.157 40 0 FCABLO CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)[nH+]cn1 ZINC000306140477 488894589 /nfs/dbraw/zinc/89/45/89/488894589.db2.gz UUOCRAXDNVITMP-GZBFAFLISA-N 1 2 371.445 0.157 40 0 FCABLO Cc1nc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000013636291 487563896 /nfs/dbraw/zinc/56/38/96/487563896.db2.gz FXQQAHYNVJGIAH-JTQLQIEISA-N 1 2 359.430 0.686 40 0 FCABLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000019460013 487604606 /nfs/dbraw/zinc/60/46/06/487604606.db2.gz CMMQXMVPLMMDNC-IBGZPJMESA-N 1 2 371.441 0.446 40 0 FCABLO CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019718566 487607015 /nfs/dbraw/zinc/60/70/15/487607015.db2.gz ZZIXJMBXDSLBLX-QGZVFWFLSA-N 1 2 361.442 0.748 40 0 FCABLO CNc1nc([C@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1C[N@H+](C)CC2 ZINC000019711480 487607184 /nfs/dbraw/zinc/60/71/84/487607184.db2.gz SAMXKGXAQJCHBC-ZDUSSCGKSA-N 1 2 360.462 0.348 40 0 FCABLO CNc1nc([C@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711480 487607190 /nfs/dbraw/zinc/60/71/90/487607190.db2.gz SAMXKGXAQJCHBC-ZDUSSCGKSA-N 1 2 360.462 0.348 40 0 FCABLO OCc1ccc(C[NH2+]C2(Cc3cc(CN4CCOCC4)on3)COC2)o1 ZINC000067898391 488357906 /nfs/dbraw/zinc/35/79/06/488357906.db2.gz NAVAFFKTVQGLEC-UHFFFAOYSA-N 1 2 363.414 0.693 40 0 biogenic,in-vitro FCABLO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1 ZINC000072378727 488379814 /nfs/dbraw/zinc/37/98/14/488379814.db2.gz VRQZUVLMUXKCAY-MRXNPFEDSA-N 1 2 356.430 0.966 40 0 FCABLO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cnc4ccccc4c3)C2)C1=O ZINC000225385128 488450134 /nfs/dbraw/zinc/45/01/34/488450134.db2.gz MUYHVMVQANLDOQ-WBVHZDCISA-N 1 2 366.421 0.223 40 0 biogenic,in-vitro FCABLO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000244271589 488460539 /nfs/dbraw/zinc/46/05/39/488460539.db2.gz WORVPUCCPRSRDF-OAHLLOKOSA-N 1 2 374.528 0.988 40 0 FCABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@H](CNS(C)(=O)=O)C2)c(C)o1 ZINC000247489207 488486310 /nfs/dbraw/zinc/48/63/10/488486310.db2.gz AXXPNGOWOQQIQC-CYBMUJFWSA-N 1 2 352.416 0.839 40 0 FCABLO CS(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000247493378 488486388 /nfs/dbraw/zinc/48/63/88/488486388.db2.gz CERIZNGLYGEPRV-ZDUSSCGKSA-N 1 2 354.457 0.620 40 0 FCABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000247525121 488486903 /nfs/dbraw/zinc/48/69/03/488486903.db2.gz MVCUJMQOUPOMBV-HNNXBMFYSA-N 1 2 371.459 0.254 40 0 FCABLO CN(C)c1cc(NC[C@@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)[nH+]cn1 ZINC000096063526 488488918 /nfs/dbraw/zinc/48/89/18/488488918.db2.gz IHSOYUCGVKFNMZ-LRDDRELGSA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)c1cc(NC[C@@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)nc[nH+]1 ZINC000096063526 488488920 /nfs/dbraw/zinc/48/89/20/488488920.db2.gz IHSOYUCGVKFNMZ-LRDDRELGSA-N 1 2 350.423 0.283 40 0 FCABLO O=C([C@@H]1COC2(CN(Cc3cccnc3)C2)C[N@@H+]1CC1CC1)N1CCCO1 ZINC000247844284 488490870 /nfs/dbraw/zinc/49/08/70/488490870.db2.gz GMDKZZKWNICJQC-SFHVURJKSA-N 1 2 372.469 0.911 40 0 FCABLO O=C([C@@H]1COC2(CN(Cc3cccnc3)C2)C[N@H+]1CC1CC1)N1CCCO1 ZINC000247844284 488490873 /nfs/dbraw/zinc/49/08/73/488490873.db2.gz GMDKZZKWNICJQC-SFHVURJKSA-N 1 2 372.469 0.911 40 0 FCABLO O=C(N1CCOCC1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230239 488490963 /nfs/dbraw/zinc/49/09/63/488490963.db2.gz ITHUDMJJZSEZBO-UHFFFAOYSA-N 1 2 372.469 0.905 40 0 FCABLO O=C(N1CCOCC1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230239 488490966 /nfs/dbraw/zinc/49/09/66/488490966.db2.gz ITHUDMJJZSEZBO-UHFFFAOYSA-N 1 2 372.469 0.905 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)nc3)C2)C[N@@H+]1CC1CC1 ZINC000248054705 488493053 /nfs/dbraw/zinc/49/30/53/488493053.db2.gz BSTOHUHMEREWAV-MRXNPFEDSA-N 1 2 358.442 0.441 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)nc3)C2)C[N@H+]1CC1CC1 ZINC000248054705 488493055 /nfs/dbraw/zinc/49/30/55/488493055.db2.gz BSTOHUHMEREWAV-MRXNPFEDSA-N 1 2 358.442 0.441 40 0 FCABLO COc1ccc(S(=O)(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)cc1 ZINC000257199657 488523064 /nfs/dbraw/zinc/52/30/64/488523064.db2.gz AAHQTGPIPQCARN-MRXNPFEDSA-N 1 2 356.444 0.153 40 0 FCABLO O=C(N[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@H]1O)c1cnccn1 ZINC000257213915 488523529 /nfs/dbraw/zinc/52/35/29/488523529.db2.gz CJRJPRQHIZNLBA-IAGOWNOFSA-N 1 2 352.394 0.728 40 0 FCABLO O=C(N[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)C[C@H]1O)c1cnccn1 ZINC000257213915 488523531 /nfs/dbraw/zinc/52/35/31/488523531.db2.gz CJRJPRQHIZNLBA-IAGOWNOFSA-N 1 2 352.394 0.728 40 0 FCABLO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)cc2n(C)c1=O ZINC000257212588 488523589 /nfs/dbraw/zinc/52/35/89/488523589.db2.gz CECGUYFYZUBDER-LPHOPBHVSA-N 1 2 374.441 0.431 40 0 FCABLO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)cc2n(C)c1=O ZINC000257212588 488523590 /nfs/dbraw/zinc/52/35/90/488523590.db2.gz CECGUYFYZUBDER-LPHOPBHVSA-N 1 2 374.441 0.431 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CC[N@@H+]1CCc1ccccc1 ZINC000257239441 488523898 /nfs/dbraw/zinc/52/38/98/488523898.db2.gz HPGROADKUVTXHZ-KRWDZBQOSA-N 1 2 355.442 0.535 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CC[N@H+]1CCc1ccccc1 ZINC000257239441 488523899 /nfs/dbraw/zinc/52/38/99/488523899.db2.gz HPGROADKUVTXHZ-KRWDZBQOSA-N 1 2 355.442 0.535 40 0 FCABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000257244827 488524209 /nfs/dbraw/zinc/52/42/09/488524209.db2.gz IMZXTPYUSRNZLD-ZDUSSCGKSA-N 1 2 354.476 0.690 40 0 FCABLO CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000257244827 488524212 /nfs/dbraw/zinc/52/42/12/488524212.db2.gz IMZXTPYUSRNZLD-ZDUSSCGKSA-N 1 2 354.476 0.690 40 0 FCABLO Cc1nc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)cc(=O)[nH]1 ZINC000257281455 488524842 /nfs/dbraw/zinc/52/48/42/488524842.db2.gz OPGCAHXEESBYGT-INIZCTEOSA-N 1 2 357.414 0.918 40 0 FCABLO Cc1nc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)cc(=O)[nH]1 ZINC000257281455 488524845 /nfs/dbraw/zinc/52/48/45/488524845.db2.gz OPGCAHXEESBYGT-INIZCTEOSA-N 1 2 357.414 0.918 40 0 FCABLO COc1cccc(S(=O)(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)c1 ZINC000257289848 488525262 /nfs/dbraw/zinc/52/52/62/488525262.db2.gz QAKVULWYSBXDSG-MRXNPFEDSA-N 1 2 356.444 0.153 40 0 FCABLO Cc1ccn(CCC(=O)N2CC[N@H+](CCc3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000257296181 488525394 /nfs/dbraw/zinc/52/53/94/488525394.db2.gz RBPFNBLCMQKOMY-SFHVURJKSA-N 1 2 369.469 0.822 40 0 FCABLO Cc1ccn(CCC(=O)N2CC[N@@H+](CCc3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000257296181 488525396 /nfs/dbraw/zinc/52/53/96/488525396.db2.gz RBPFNBLCMQKOMY-SFHVURJKSA-N 1 2 369.469 0.822 40 0 FCABLO COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257338294 488526560 /nfs/dbraw/zinc/52/65/60/488526560.db2.gz YWTQHSILMWHMRV-LMSBXDPUSA-N 1 2 350.415 0.031 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575403969 491552595 /nfs/dbraw/zinc/55/25/95/491552595.db2.gz JQAODDKHQXMIPQ-KBMXLJTQSA-N 1 2 365.474 0.097 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575403969 491552596 /nfs/dbraw/zinc/55/25/96/491552596.db2.gz JQAODDKHQXMIPQ-KBMXLJTQSA-N 1 2 365.474 0.097 40 0 FCABLO O=C(C1CC(O)C1)N1CC[C@H]2O[C@@H](COCC[NH+]3CCOCC3)CC[C@H]21 ZINC000585108474 491720020 /nfs/dbraw/zinc/72/00/20/491720020.db2.gz 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230014315 /nfs/dbraw/zinc/01/43/15/230014315.db2.gz RAUFBAGLNDRQPT-CQSZACIVSA-N 1 2 355.460 0.290 40 0 FCABLO CCOC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1 ZINC000006953600 487500198 /nfs/dbraw/zinc/50/01/98/487500198.db2.gz IRRPCXZXVSXKPR-UHFFFAOYSA-N 1 2 356.444 0.955 40 0 FCABLO O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363712896 488877521 /nfs/dbraw/zinc/87/75/21/488877521.db2.gz WEXRHCCBRMLKFQ-NVXWUHKLSA-N 1 2 373.453 0.930 40 0 FCABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)n(C)n1 ZINC000306123327 488893997 /nfs/dbraw/zinc/89/39/97/488893997.db2.gz AKCYFBPWBGCTEY-ZDUSSCGKSA-N 1 2 352.464 0.421 40 0 FCABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000306141789 488894698 /nfs/dbraw/zinc/89/46/98/488894698.db2.gz WGOCOJGAOFRIEZ-HNNXBMFYSA-N 1 2 360.462 0.710 40 0 FCABLO COCC(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306141789 488894699 /nfs/dbraw/zinc/89/46/99/488894699.db2.gz WGOCOJGAOFRIEZ-HNNXBMFYSA-N 1 2 360.462 0.710 40 0 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ZINC000257238588 488524281 /nfs/dbraw/zinc/52/42/81/488524281.db2.gz HLROKVAKBDSGTR-OAHLLOKOSA-N 1 2 357.414 0.918 40 0 FCABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000257244826 488524306 /nfs/dbraw/zinc/52/43/06/488524306.db2.gz IMZXTPYUSRNZLD-CYBMUJFWSA-N 1 2 354.476 0.690 40 0 FCABLO CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000257244826 488524310 /nfs/dbraw/zinc/52/43/10/488524310.db2.gz IMZXTPYUSRNZLD-CYBMUJFWSA-N 1 2 354.476 0.690 40 0 FCABLO CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257283541 488524470 /nfs/dbraw/zinc/52/44/70/488524470.db2.gz OYTRWFFZKKGGTH-MRXNPFEDSA-N 1 2 354.476 0.857 40 0 FCABLO CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000124885642 488596502 /nfs/dbraw/zinc/59/65/02/488596502.db2.gz QZEKBCBTUBVKRF-GFCCVEGCSA-N 1 2 351.432 0.415 40 0 FCABLO CC(C)C(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289446 490768682 /nfs/dbraw/zinc/76/86/82/490768682.db2.gz LEQWRXCQLXSEPC-IAGOWNOFSA-N 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FCABLO O=C(CC1CC1)NCc1c[nH+]c2n1CCN(C(=O)[C@@H]1[C@@H]3COC[C@@H]31)CC2 ZINC000585110614 491720274 /nfs/dbraw/zinc/72/02/74/491720274.db2.gz IWBRMYZAZCPMJA-JLVBRIDZSA-N 1 2 358.442 0.577 40 0 FCABLO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000585286254 491721498 /nfs/dbraw/zinc/72/14/98/491721498.db2.gz YEXNCMOFZANLFI-DOTOQJQBSA-N 1 2 354.834 0.610 40 0 FCABLO O=C(/C=C/C[NH+]1CCOCC1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585290504 491721673 /nfs/dbraw/zinc/72/16/73/491721673.db2.gz DWJDYSRHBQUNEI-WWPOYFSUSA-N 1 2 360.454 0.707 40 0 FCABLO CS(=O)(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000020049569 525216689 /nfs/dbraw/zinc/21/66/89/525216689.db2.gz ZLFDINMJFZQYKG-UHFFFAOYSA-N 1 2 361.851 0.774 40 0 FCABLO Cn1cc(C[N@@H+]2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cn1 ZINC001549160537 1267840667 /nfs/dbraw/zinc/84/06/67/1267840667.db2.gz GLLWSAQPRMKQTF-MRXNPFEDSA-N 1 2 373.457 0.828 40 0 FCABLO Cn1cc(C[N@H+]2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cn1 ZINC001549160537 1267840684 /nfs/dbraw/zinc/84/06/84/1267840684.db2.gz GLLWSAQPRMKQTF-MRXNPFEDSA-N 1 2 373.457 0.828 40 0 FCABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@H+](CCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257333165 210002409 /nfs/dbraw/zinc/00/24/09/210002409.db2.gz YALQMHKOMRMEHW-GOSISDBHSA-N 1 2 369.469 0.810 40 0 FCABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](CCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257333165 210002413 /nfs/dbraw/zinc/00/24/13/210002413.db2.gz YALQMHKOMRMEHW-GOSISDBHSA-N 1 2 369.469 0.810 40 0 FCABLO CO[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096220235 209137114 /nfs/dbraw/zinc/13/71/14/209137114.db2.gz AHALQLXJQYCACA-RRFJBIMHSA-N 1 2 356.444 0.372 40 0 FCABLO CO[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096220235 209137117 /nfs/dbraw/zinc/13/71/17/209137117.db2.gz AHALQLXJQYCACA-RRFJBIMHSA-N 1 2 356.444 0.372 40 0 FCABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096062383 209106693 /nfs/dbraw/zinc/10/66/93/209106693.db2.gz 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Cn1cc(C[N@@H+]2CCOC[C@@]3(CN(c4cccnc4)C(=O)CO3)C2)cn1 ZINC000096240156 132223520 /nfs/dbraw/zinc/22/35/20/132223520.db2.gz SDEHZQJERPLDKQ-SFHVURJKSA-N 1 2 357.414 0.450 40 0 FCABLO Cn1cc(C[N@H+]2CCOC[C@@]3(CN(c4cccnc4)C(=O)CO3)C2)cn1 ZINC000096240156 132223521 /nfs/dbraw/zinc/22/35/21/132223521.db2.gz SDEHZQJERPLDKQ-SFHVURJKSA-N 1 2 357.414 0.450 40 0 FCABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cnc(C)cn3)C2)nc[nH+]1 ZINC000257264811 132295960 /nfs/dbraw/zinc/29/59/60/132295960.db2.gz LWCAHIAZSSNWNS-QGZVFWFLSA-N 1 2 357.418 0.378 40 0 FCABLO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cnc(C)cn3)C2)[nH+]cn1 ZINC000257264811 132295962 /nfs/dbraw/zinc/29/59/62/132295962.db2.gz LWCAHIAZSSNWNS-QGZVFWFLSA-N 1 2 357.418 0.378 40 0 FCABLO Cc1ccc(N([C@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000408601637 230013305 /nfs/dbraw/zinc/01/33/05/230013305.db2.gz AYUJHIWQVMGDED-OAHLLOKOSA-N 1 2 369.487 0.598 40 0 FCABLO CCn1cc(CN2Cc3c[nH+]cn3[C@@H](CNS(=O)(=O)CC)C2)cn1 ZINC000306127212 488893395 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358.446 0.995 40 0 FCABLO Cn1cc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cn1 ZINC000072380516 488379728 /nfs/dbraw/zinc/37/97/28/488379728.db2.gz GRSBQEITNADWLY-HNNXBMFYSA-N 1 2 358.446 0.995 40 0 FCABLO C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)nn1 ZINC000225510320 488450614 /nfs/dbraw/zinc/45/06/14/488450614.db2.gz FHZXCNHVWDCFAV-YYQUZTFQSA-N 1 2 374.445 0.272 40 0 biogenic,in-vitro FCABLO Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCC[NH+]2CCOCC2)c1 ZINC000225931205 488451530 /nfs/dbraw/zinc/45/15/30/488451530.db2.gz UEQLTSCDOMHOJD-UHFFFAOYSA-N 1 2 369.487 0.372 40 0 FCABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](CNS(C)(=O)=O)C2)c(C)o1 ZINC000247489227 488486251 /nfs/dbraw/zinc/48/62/51/488486251.db2.gz AXXPNGOWOQQIQC-ZDUSSCGKSA-N 1 2 352.416 0.839 40 0 FCABLO CS(=O)(=O)NC[C@H]1CN(C(=O)COc2ccccc2)Cc2c[nH+]cn21 ZINC000247522120 488487068 /nfs/dbraw/zinc/48/70/68/488487068.db2.gz LTNHMRXMOVZZIO-AWEZNQCLSA-N 1 2 364.427 0.395 40 0 FCABLO 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/nfs/dbraw/zinc/21/84/70/132218470.db2.gz XWYWRFMHBACTEH-SFHVURJKSA-N 1 2 357.414 0.450 40 0 FCABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCCn1cncn1 ZINC000257242414 132295508 /nfs/dbraw/zinc/29/55/08/132295508.db2.gz ICJHDVKPKNAXEP-SFHVURJKSA-N 1 2 358.446 0.943 40 0 FCABLO COCCn1nnnc1[C@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004862198 487481537 /nfs/dbraw/zinc/48/15/37/487481537.db2.gz AIBAPXVNOOLIFF-INIZCTEOSA-N 1 2 358.446 0.915 40 0 FCABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000306141790 488894170 /nfs/dbraw/zinc/89/41/70/488894170.db2.gz WGOCOJGAOFRIEZ-OAHLLOKOSA-N 1 2 360.462 0.710 40 0 FCABLO COCC(=O)NCC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000306141790 488894172 /nfs/dbraw/zinc/89/41/72/488894172.db2.gz WGOCOJGAOFRIEZ-OAHLLOKOSA-N 1 2 360.462 0.710 40 0 FCABLO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000016187831 487586714 /nfs/dbraw/zinc/58/67/14/487586714.db2.gz OJNNDBJDSROUNC-UHFFFAOYSA-N 1 2 366.443 0.719 40 0 FCABLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000020061571 487609594 /nfs/dbraw/zinc/60/95/94/487609594.db2.gz XPWXEIYGXDCVET-UHFFFAOYSA-N 1 2 367.471 0.404 40 0 FCABLO Cc1nc2[nH]c(CC(=O)NCC[N@@H+](C)C3CCCCC3)nn2c(=O)c1C ZINC000072391475 488379882 /nfs/dbraw/zinc/37/98/82/488379882.db2.gz HPZZTMPRDHSIOW-UHFFFAOYSA-N 1 2 360.462 0.958 40 0 FCABLO Cc1nc2[nH]c(CC(=O)NCC[N@H+](C)C3CCCCC3)nn2c(=O)c1C ZINC000072391475 488379883 /nfs/dbraw/zinc/37/98/83/488379883.db2.gz HPZZTMPRDHSIOW-UHFFFAOYSA-N 1 2 360.462 0.958 40 0 FCABLO CS(=O)(=O)N[C@@H](CC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000225947955 488451497 /nfs/dbraw/zinc/45/14/97/488451497.db2.gz SUZACQZIJGFQPI-HNNXBMFYSA-N 1 2 373.450 0.255 40 0 FCABLO C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000244330332 488460832 /nfs/dbraw/zinc/46/08/32/488460832.db2.gz XNPHNBMJNHXLCA-ZDUSSCGKSA-N 1 2 364.464 0.565 40 0 FCABLO CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2c[nH+]cn21 ZINC000247558808 488487499 /nfs/dbraw/zinc/48/74/99/488487499.db2.gz YBSSPYHNRPSPHW-OAHLLOKOSA-N 1 2 366.418 0.697 40 0 FCABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3[C@@H](CNS(C)(=O)=O)C2)cs1 ZINC000248038742 488493018 /nfs/dbraw/zinc/49/30/18/488493018.db2.gz NZLMZFAQRZMXNQ-NSHDSACASA-N 1 2 355.445 0.394 40 0 FCABLO C[N@H+](CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)Cc1cccnc1 ZINC000257203675 488523086 /nfs/dbraw/zinc/52/30/86/488523086.db2.gz ARBUVIBRNSLCNB-SFHVURJKSA-N 1 2 356.430 0.061 40 0 FCABLO C[N@@H+](CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)Cc1cccnc1 ZINC000257203675 488523088 /nfs/dbraw/zinc/52/30/88/488523088.db2.gz ARBUVIBRNSLCNB-SFHVURJKSA-N 1 2 356.430 0.061 40 0 FCABLO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257229608 488523296 /nfs/dbraw/zinc/52/32/96/488523296.db2.gz FYSZUFIIWALDCY-LBPRGKRZSA-N 1 2 351.432 0.724 40 0 FCABLO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000257229608 488523300 /nfs/dbraw/zinc/52/33/00/488523300.db2.gz FYSZUFIIWALDCY-LBPRGKRZSA-N 1 2 351.432 0.724 40 0 FCABLO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257317780 488525649 /nfs/dbraw/zinc/52/56/49/488525649.db2.gz VLCIYZKTBNMKIP-QARMOMCASA-N 1 2 357.454 0.872 40 0 FCABLO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257317780 488525651 /nfs/dbraw/zinc/52/56/51/488525651.db2.gz VLCIYZKTBNMKIP-QARMOMCASA-N 1 2 357.454 0.872 40 0 FCABLO CC(C)C(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289307 490768505 /nfs/dbraw/zinc/76/85/05/490768505.db2.gz LEQWRXCQLXSEPC-DLBZAZTESA-N 1 2 357.454 0.815 40 0 biogenic,in-vitro FCABLO CC(C)C(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289307 490768506 /nfs/dbraw/zinc/76/85/06/490768506.db2.gz LEQWRXCQLXSEPC-DLBZAZTESA-N 1 2 357.454 0.815 40 0 biogenic,in-vitro FCABLO CC(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000575403453 491552241 /nfs/dbraw/zinc/55/22/41/491552241.db2.gz LCYZFLHLXIJWND-AWEZNQCLSA-N 1 2 352.416 0.887 40 0 FCABLO O=C(c1ccc2ccccc2c1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287962 491721364 /nfs/dbraw/zinc/72/13/64/491721364.db2.gz JXTUIMCMCKALHC-QRVBRYPASA-N 1 2 356.422 0.718 40 0 FCABLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc21 ZINC000328848572 571232419 /nfs/dbraw/zinc/23/24/19/571232419.db2.gz TUAZGHNQIGTXTE-SNVBAGLBSA-N 1 2 354.370 0.777 40 0 FCABLO COCCN1c2ccnn2C2(CC[NH+](Cc3ccn(C)n3)CC2)CC1=O ZINC001772596573 1180056376 /nfs/dbraw/zinc/05/63/76/1180056376.db2.gz USULQICILKXBGA-UHFFFAOYSA-N 1 2 358.446 0.991 40 0 FCABLO CN(C)c1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257252559 529773068 /nfs/dbraw/zinc/77/30/68/529773068.db2.gz JVEXMSSLUCXFIK-GOSISDBHSA-N 1 2 358.446 0.595 40 0 FCABLO CN(C)c1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)[nH+]cn1 ZINC000257252559 529773071 /nfs/dbraw/zinc/77/30/71/529773071.db2.gz JVEXMSSLUCXFIK-GOSISDBHSA-N 1 2 358.446 0.595 40 0 FCABLO CN1CC[NH+](C[C@]2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000257257805 529773227 /nfs/dbraw/zinc/77/32/27/529773227.db2.gz KREALTIPHHWOHM-QGZVFWFLSA-N 1 2 353.488 0.201 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC[NH2+]1 ZINC000257315496 529907634 /nfs/dbraw/zinc/90/76/34/529907634.db2.gz VBRGSPPLHOLPCK-NSHDSACASA-N 1 2 366.805 0.184 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CC[N@@H+]1CCc1ccccc1 ZINC000257239442 529928136 /nfs/dbraw/zinc/92/81/36/529928136.db2.gz HPGROADKUVTXHZ-QGZVFWFLSA-N 1 2 355.442 0.535 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CC[N@H+]1CCc1ccccc1 ZINC000257239442 529928138 /nfs/dbraw/zinc/92/81/38/529928138.db2.gz HPGROADKUVTXHZ-QGZVFWFLSA-N 1 2 355.442 0.535 40 0 FCABLO CCS(=O)(=O)CCN1Cc2c[nH+]cn2[C@@H](C(=O)N2CC(F)(F)C2)C1 ZINC000306133812 210053189 /nfs/dbraw/zinc/05/31/89/210053189.db2.gz MWVXWXVAXOITCX-GFCCVEGCSA-N 1 2 362.402 0.152 40 0 FCABLO Cn1cc(C[N@H+]2Cc3ccnn3[C@@H](C(=O)NCCc3ccncc3)C2)cn1 ZINC000306128868 210052170 /nfs/dbraw/zinc/05/21/70/210052170.db2.gz HNBZQMMNRDJDIC-GOSISDBHSA-N 1 2 365.441 0.927 40 0 FCABLO Cn1cc(C[N@@H+]2Cc3ccnn3[C@@H](C(=O)NCCc3ccncc3)C2)cn1 ZINC000306128868 210052172 /nfs/dbraw/zinc/05/21/72/210052172.db2.gz HNBZQMMNRDJDIC-GOSISDBHSA-N 1 2 365.441 0.927 40 0 FCABLO Cn1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257246688 223035916 /nfs/dbraw/zinc/03/59/16/223035916.db2.gz IVISXAXJQQEFFW-MZMPZRCHSA-N 1 2 371.441 0.017 40 0 FCABLO Cn1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257246688 223035917 /nfs/dbraw/zinc/03/59/17/223035917.db2.gz IVISXAXJQQEFFW-MZMPZRCHSA-N 1 2 371.441 0.017 40 0 FCABLO Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257296673 223055558 /nfs/dbraw/zinc/05/55/58/223055558.db2.gz RDVOTIVPKISUQY-HOTGVXAUSA-N 1 2 354.472 0.841 40 0 FCABLO CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc4c(c3)OCO4)C=C([O-])N2)CC1 ZINC000014606960 220127223 /nfs/dbraw/zinc/12/72/23/220127223.db2.gz YSNAFWOELXLWBR-CYBMUJFWSA-N 1 2 373.413 0.236 40 0 FCABLO CNc1nc([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1C[N@H+](C)CC2 ZINC000019711479 211247351 /nfs/dbraw/zinc/24/73/51/211247351.db2.gz SAMXKGXAQJCHBC-CYBMUJFWSA-N 1 2 360.462 0.348 40 0 FCABLO CNc1nc([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711479 211247353 /nfs/dbraw/zinc/24/73/53/211247353.db2.gz SAMXKGXAQJCHBC-CYBMUJFWSA-N 1 2 360.462 0.348 40 0 FCABLO CCNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCOCC2)ccc1OC ZINC000016681797 211166505 /nfs/dbraw/zinc/16/65/05/211166505.db2.gz XGKBFDBTYAUQJV-UHFFFAOYSA-N 1 2 371.459 0.055 40 0 FCABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cnc(C)cn3)C2)nc[nH+]1 ZINC000257264810 132295998 /nfs/dbraw/zinc/29/59/98/132295998.db2.gz LWCAHIAZSSNWNS-KRWDZBQOSA-N 1 2 357.418 0.378 40 0 FCABLO CNc1cc(N2CCC[C@](O)(CNC(=O)c3cnc(C)cn3)C2)[nH+]cn1 ZINC000257264810 132295999 /nfs/dbraw/zinc/29/59/99/132295999.db2.gz LWCAHIAZSSNWNS-KRWDZBQOSA-N 1 2 357.418 0.378 40 0 FCABLO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000257271830 132296382 /nfs/dbraw/zinc/29/63/82/132296382.db2.gz MZYRLLYUZQQPJE-GOSISDBHSA-N 1 2 358.446 0.943 40 0 FCABLO O=C(C[NH+]1CCC(c2csnn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000019403893 132888031 /nfs/dbraw/zinc/88/80/31/132888031.db2.gz FJEWMQDNEBWDMY-UHFFFAOYSA-N 1 2 373.486 0.856 40 0 FCABLO O=S(=O)(c1ccccc1)N1C[C@@H]2COC[C@]2(C[NH+]2CCOCC2)C1 ZINC000096108277 222026855 /nfs/dbraw/zinc/02/68/55/222026855.db2.gz UAKKLEORCUGMRI-WBVHZDCISA-N 1 2 352.456 0.656 40 0 FCABLO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050418 222001351 /nfs/dbraw/zinc/00/13/51/222001351.db2.gz VRGXECGMAQTCAE-QGZVFWFLSA-N 1 2 374.470 0.716 40 0 FCABLO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050418 222001356 /nfs/dbraw/zinc/00/13/56/222001356.db2.gz VRGXECGMAQTCAE-QGZVFWFLSA-N 1 2 374.470 0.716 40 0 FCABLO COCC(=O)N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC000096050117 222002091 /nfs/dbraw/zinc/00/20/91/222002091.db2.gz DWSISHFSAUORMO-UHFFFAOYSA-N 1 2 366.487 0.733 40 0 FCABLO COCC(=O)N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC000096050117 222002094 /nfs/dbraw/zinc/00/20/94/222002094.db2.gz DWSISHFSAUORMO-UHFFFAOYSA-N 1 2 366.487 0.733 40 0 FCABLO O=C(N[C@@H]1C[N@@H+]2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1cnccn1 ZINC000096068920 222011288 /nfs/dbraw/zinc/01/12/88/222011288.db2.gz RRZYVDHPZKKHNB-ZACQAIPSSA-N 1 2 355.398 0.270 40 0 FCABLO O=C(N[C@@H]1C[N@H+]2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1cnccn1 ZINC000096068920 222011290 /nfs/dbraw/zinc/01/12/90/222011290.db2.gz RRZYVDHPZKKHNB-ZACQAIPSSA-N 1 2 355.398 0.270 40 0 FCABLO O=C(COC[C@@H]1Cn2c[nH+]cc2CN(c2ncccn2)C1)N1CCCC1 ZINC000096216457 222082244 /nfs/dbraw/zinc/08/22/44/222082244.db2.gz XSOKVBROBDKISE-HNNXBMFYSA-N 1 2 356.430 0.949 40 0 FCABLO CCS(=O)(=O)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096229431 222090788 /nfs/dbraw/zinc/09/07/88/222090788.db2.gz DCJHMHMCHCBXCJ-INIZCTEOSA-N 1 2 355.460 0.335 40 0 FCABLO CCS(=O)(=O)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096229431 222090791 /nfs/dbraw/zinc/09/07/91/222090791.db2.gz DCJHMHMCHCBXCJ-INIZCTEOSA-N 1 2 355.460 0.335 40 0 FCABLO O[C@@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514289810 263776654 /nfs/dbraw/zinc/77/66/54/263776654.db2.gz OWOGTJAGJPGIGB-WOJBJXKFSA-N 1 2 365.481 0.982 40 0 biogenic,in-vitro FCABLO O[C@@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514289810 263776656 /nfs/dbraw/zinc/77/66/56/263776656.db2.gz OWOGTJAGJPGIGB-WOJBJXKFSA-N 1 2 365.481 0.982 40 0 biogenic,in-vitro FCABLO O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363712895 488877427 /nfs/dbraw/zinc/87/74/27/488877427.db2.gz WEXRHCCBRMLKFQ-DOTOQJQBSA-N 1 2 373.453 0.930 40 0 FCABLO O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363712897 488877636 /nfs/dbraw/zinc/87/76/36/488877636.db2.gz WEXRHCCBRMLKFQ-RDJZCZTQSA-N 1 2 373.453 0.930 40 0 FCABLO CS(=O)(=O)N1C[C@H](C(=O)NCCCn2cc[nH+]c2)Oc2ccccc21 ZINC000030751709 487749378 /nfs/dbraw/zinc/74/93/78/487749378.db2.gz VLZRQFYJOWWYCZ-OAHLLOKOSA-N 1 2 364.427 0.617 40 0 FCABLO C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000085897048 488452617 /nfs/dbraw/zinc/45/26/17/488452617.db2.gz NPYPUYCITBTPSF-LDUVGVLHSA-N 1 2 351.399 0.164 40 0 FCABLO C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000085897048 488452619 /nfs/dbraw/zinc/45/26/19/488452619.db2.gz NPYPUYCITBTPSF-LDUVGVLHSA-N 1 2 351.399 0.164 40 0 FCABLO O=C(N[C@@H]1C[N@@H+]2CCOC[C@H]2[C@H]1OCc1ccccn1)c1cnccn1 ZINC000247506835 488486924 /nfs/dbraw/zinc/48/69/24/488486924.db2.gz RRZYVDHPZKKHNB-IKGGRYGDSA-N 1 2 355.398 0.270 40 0 FCABLO O=C(N[C@@H]1C[N@H+]2CCOC[C@H]2[C@H]1OCc1ccccn1)c1cnccn1 ZINC000247506835 488486926 /nfs/dbraw/zinc/48/69/26/488486926.db2.gz RRZYVDHPZKKHNB-IKGGRYGDSA-N 1 2 355.398 0.270 40 0 FCABLO CS(=O)(=O)CC(=O)N1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000247525133 488487074 /nfs/dbraw/zinc/48/70/74/488487074.db2.gz MVCUJMQOUPOMBV-OAHLLOKOSA-N 1 2 371.459 0.254 40 0 FCABLO Cc1cc(CN2CC3(C2)C[N@H+](CC2CC2)[C@H](C(=O)N(C)C)CO3)n(C)n1 ZINC000247987935 488492609 /nfs/dbraw/zinc/49/26/09/488492609.db2.gz KXYGFFJKJNUALR-KRWDZBQOSA-N 1 2 361.490 0.482 40 0 FCABLO Cc1cc(CN2CC3(C2)C[N@@H+](CC2CC2)[C@H](C(=O)N(C)C)CO3)n(C)n1 ZINC000247987935 488492611 /nfs/dbraw/zinc/49/26/11/488492611.db2.gz KXYGFFJKJNUALR-KRWDZBQOSA-N 1 2 361.490 0.482 40 0 FCABLO Cn1cnc(S(=O)(=O)N2CC3(C2)C[C@H](COCC2CC2)CC[N@@H+]3C)c1 ZINC000248114202 488493946 /nfs/dbraw/zinc/49/39/46/488493946.db2.gz IDPPKWJWDKIIOK-OAHLLOKOSA-N 1 2 368.503 0.932 40 0 FCABLO Cn1cnc(S(=O)(=O)N2CC3(C2)C[C@H](COCC2CC2)CC[N@H+]3C)c1 ZINC000248114202 488493948 /nfs/dbraw/zinc/49/39/48/488493948.db2.gz IDPPKWJWDKIIOK-OAHLLOKOSA-N 1 2 368.503 0.932 40 0 FCABLO CCS(=O)(=O)NCC[C@@H]1CCOC12CN(c1cc(N(C)C)[nH+]cn1)C2 ZINC000248155266 488494105 /nfs/dbraw/zinc/49/41/05/488494105.db2.gz YVWFKOXRCYOOGQ-CYBMUJFWSA-N 1 2 369.491 0.467 40 0 FCABLO CCS(=O)(=O)NCC[C@@H]1CCOC12CN(c1cc(N(C)C)nc[nH+]1)C2 ZINC000248155266 488494106 /nfs/dbraw/zinc/49/41/06/488494106.db2.gz YVWFKOXRCYOOGQ-CYBMUJFWSA-N 1 2 369.491 0.467 40 0 FCABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000253615494 488522139 /nfs/dbraw/zinc/52/21/39/488522139.db2.gz OCSIWMODMFEDLM-FOIQADDNSA-N 1 2 373.453 0.939 40 0 FCABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NC[C@H]1CCCO1 ZINC000253615494 488522140 /nfs/dbraw/zinc/52/21/40/488522140.db2.gz OCSIWMODMFEDLM-FOIQADDNSA-N 1 2 373.453 0.939 40 0 FCABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccn1)N(C(=O)CC1(O)CCC1)C2 ZINC000585094902 491719296 /nfs/dbraw/zinc/71/92/96/491719296.db2.gz SVUKAPWKPVXYMX-ZDUSSCGKSA-N 1 2 357.414 0.848 40 0 FCABLO Cc1cc(C[N@@H+]2CCC[C@@]3(CN(CCS(C)(=O)=O)C3=O)C2)n(C)n1 ZINC000585099488 491719415 /nfs/dbraw/zinc/71/94/15/491719415.db2.gz NWPCJUFSBDSYMR-INIZCTEOSA-N 1 2 354.476 0.198 40 0 FCABLO Cc1cc(C[N@H+]2CCC[C@@]3(CN(CCS(C)(=O)=O)C3=O)C2)n(C)n1 ZINC000585099488 491719416 /nfs/dbraw/zinc/71/94/16/491719416.db2.gz NWPCJUFSBDSYMR-INIZCTEOSA-N 1 2 354.476 0.198 40 0 FCABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000585277625 491720669 /nfs/dbraw/zinc/72/06/69/491720669.db2.gz NRYGBQZNBIBPDX-QGZVFWFLSA-N 1 2 351.451 0.238 40 0 FCABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2cnc(N(C)C)nc2)CCO1 ZINC000585277625 491720670 /nfs/dbraw/zinc/72/06/70/491720670.db2.gz NRYGBQZNBIBPDX-QGZVFWFLSA-N 1 2 351.451 0.238 40 0 FCABLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287993 491721508 /nfs/dbraw/zinc/72/15/08/491721508.db2.gz KZRVFFADBPHGBT-INMHGKMJSA-N 1 2 354.834 0.147 40 0 FCABLO Cc1cn([C@@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000585290430 491721786 /nfs/dbraw/zinc/72/17/86/491721786.db2.gz CGNVEZGAGKRRRP-CFUPXEQDSA-N 1 2 359.386 0.218 40 0 FCABLO COc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000408617183 534127351 /nfs/dbraw/zinc/12/73/51/534127351.db2.gz IJIFTWGTTKILHG-UHFFFAOYSA-N 1 2 366.443 0.864 40 0 FCABLO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000020245900 521955949 /nfs/dbraw/zinc/95/59/49/521955949.db2.gz DAFQUPISTYHYET-UHFFFAOYSA-N 1 2 365.459 0.946 40 0 FCABLO CC(=O)NCCCCCC(=O)N1CC[C@]2(Cc3c([nH+]c(N)nc3N)O2)C1 ZINC000257232210 526730424 /nfs/dbraw/zinc/73/04/24/526730424.db2.gz GJVVLXPVRBQLLY-KRWDZBQOSA-N 1 2 362.434 0.244 40 0 FCABLO CC(=O)NCCCCCC(=O)N1CC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)C1 ZINC000257232210 526730426 /nfs/dbraw/zinc/73/04/26/526730426.db2.gz GJVVLXPVRBQLLY-KRWDZBQOSA-N 1 2 362.434 0.244 40 0 FCABLO Cn1cc(C[N@@H+]2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cn1 ZINC001549160536 1267842162 /nfs/dbraw/zinc/84/21/62/1267842162.db2.gz GLLWSAQPRMKQTF-INIZCTEOSA-N 1 2 373.457 0.828 40 0 FCABLO Cn1cc(C[N@H+]2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cn1 ZINC001549160536 1267842176 /nfs/dbraw/zinc/84/21/76/1267842176.db2.gz GLLWSAQPRMKQTF-INIZCTEOSA-N 1 2 373.457 0.828 40 0 FCABLO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257214991 529759987 /nfs/dbraw/zinc/75/99/87/529759987.db2.gz COFAFSNSXDYEAX-LLVKDONJSA-N 1 2 351.432 0.588 40 0 FCABLO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000257214991 529759988 /nfs/dbraw/zinc/75/99/88/529759988.db2.gz COFAFSNSXDYEAX-LLVKDONJSA-N 1 2 351.432 0.588 40 0 FCABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@H](CNS(C)(=O)=O)C1 ZINC000306131122 210051545 /nfs/dbraw/zinc/05/15/45/210051545.db2.gz JXEGUFGNAKFMLL-CQSZACIVSA-N 1 2 351.432 0.393 40 0 FCABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)nc[nH+]1 ZINC000306140478 210055092 /nfs/dbraw/zinc/05/50/92/210055092.db2.gz UUOCRAXDNVITMP-UMVBOHGHSA-N 1 2 371.445 0.157 40 0 FCABLO CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)[nH+]cn1 ZINC000306140478 210055095 /nfs/dbraw/zinc/05/50/95/210055095.db2.gz UUOCRAXDNVITMP-UMVBOHGHSA-N 1 2 371.445 0.157 40 0 FCABLO C[NH+](C)Cc1cnc([C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)[nH]1 ZINC000257255225 223038946 /nfs/dbraw/zinc/03/89/46/223038946.db2.gz KGQDWLDMBQQTOW-OAHLLOKOSA-N 1 2 355.402 0.956 40 0 FCABLO C[NH+](C)Cc1c[nH]c([C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)n1 ZINC000257255225 223038948 /nfs/dbraw/zinc/03/89/48/223038948.db2.gz KGQDWLDMBQQTOW-OAHLLOKOSA-N 1 2 355.402 0.956 40 0 FCABLO Cc1cc([C@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1 ZINC000257277848 223048323 /nfs/dbraw/zinc/04/83/23/223048323.db2.gz NZSZXHJUYYLJFY-MRXNPFEDSA-N 1 2 354.476 0.891 40 0 FCABLO Cc1cc([C@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1 ZINC000257277848 223048325 /nfs/dbraw/zinc/04/83/25/223048325.db2.gz NZSZXHJUYYLJFY-MRXNPFEDSA-N 1 2 354.476 0.891 40 0 FCABLO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257314062 223062186 /nfs/dbraw/zinc/06/21/86/223062186.db2.gz UVDXBGJZTCMQEF-GOSISDBHSA-N 1 2 359.430 0.647 40 0 FCABLO CNc1nc([C@H]2CCCCN2C(=O)CNC(C)=O)nc2c1C[N@H+](C)CC2 ZINC000019711528 211246963 /nfs/dbraw/zinc/24/69/63/211246963.db2.gz VYDWASDBQCIXPD-OAHLLOKOSA-N 1 2 360.462 0.696 40 0 FCABLO CNc1nc([C@H]2CCCCN2C(=O)CNC(C)=O)nc2c1C[N@@H+](C)CC2 ZINC000019711528 211246965 /nfs/dbraw/zinc/24/69/65/211246965.db2.gz VYDWASDBQCIXPD-OAHLLOKOSA-N 1 2 360.462 0.696 40 0 FCABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@]12CCCO2 ZINC000257255529 533471635 /nfs/dbraw/zinc/47/16/35/533471635.db2.gz KHVGRCMJWKEGHV-CRAIPNDOSA-N 1 2 361.398 0.950 40 0 FCABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@]12CCCO2 ZINC000257255529 533471641 /nfs/dbraw/zinc/47/16/41/533471641.db2.gz KHVGRCMJWKEGHV-CRAIPNDOSA-N 1 2 361.398 0.950 40 0 FCABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096113008 222031030 /nfs/dbraw/zinc/03/10/30/222031030.db2.gz GZOQHJSCUWHXNF-DLBZAZTESA-N 1 2 361.442 0.806 40 0 biogenic,in-vitro FCABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096113008 222031032 /nfs/dbraw/zinc/03/10/32/222031032.db2.gz GZOQHJSCUWHXNF-DLBZAZTESA-N 1 2 361.442 0.806 40 0 biogenic,in-vitro FCABLO Cn1cc(C(=O)NCc2cn3c(n2)C[N@@H+](Cc2ccncc2)CC3)cn1 ZINC000096059515 222007097 /nfs/dbraw/zinc/00/70/97/222007097.db2.gz JMPPEPNNAXMMLT-UHFFFAOYSA-N 1 2 351.414 0.957 40 0 FCABLO Cn1cc(C(=O)NCc2cn3c(n2)C[N@H+](Cc2ccncc2)CC3)cn1 ZINC000096059515 222007099 /nfs/dbraw/zinc/00/70/99/222007099.db2.gz JMPPEPNNAXMMLT-UHFFFAOYSA-N 1 2 351.414 0.957 40 0 FCABLO Cn1ccnc1C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)C3CC3)[C@@H]2CC1 ZINC000096249484 222100219 /nfs/dbraw/zinc/10/02/19/222100219.db2.gz DPASSACOARWACY-HUUCEWRRSA-N 1 2 354.476 0.578 40 0 FCABLO Cn1ccnc1C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)C3CC3)[C@@H]2CC1 ZINC000096249484 222100223 /nfs/dbraw/zinc/10/02/23/222100223.db2.gz DPASSACOARWACY-HUUCEWRRSA-N 1 2 354.476 0.578 40 0 FCABLO O=C(NC1CCC1)[C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096250996 222100440 /nfs/dbraw/zinc/10/04/40/222100440.db2.gz SKJRMKNXBXURMX-GVDBMIGSSA-N 1 2 363.483 0.985 40 0 FCABLO O=C(NC1CCC1)[C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096250996 222100442 /nfs/dbraw/zinc/10/04/42/222100442.db2.gz SKJRMKNXBXURMX-GVDBMIGSSA-N 1 2 363.483 0.985 40 0 FCABLO CC(=O)NCC(=O)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254130 222101638 /nfs/dbraw/zinc/10/16/38/222101638.db2.gz LYMDMLCJMCAEGJ-UHFFFAOYSA-N 1 2 358.446 0.672 40 0 FCABLO COc1cccc(S(=O)(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)c1 ZINC000257289847 533682681 /nfs/dbraw/zinc/68/26/81/533682681.db2.gz QAKVULWYSBXDSG-INIZCTEOSA-N 1 2 356.444 0.153 40 0 FCABLO COC(=O)Cn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222494 487550852 /nfs/dbraw/zinc/55/08/52/487550852.db2.gz GSCZDCBEAHWUKV-UHFFFAOYSA-N 1 2 355.398 0.914 40 0 FCABLO COC(=O)Cn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012222494 487550854 /nfs/dbraw/zinc/55/08/54/487550854.db2.gz GSCZDCBEAHWUKV-UHFFFAOYSA-N 1 2 355.398 0.914 40 0 FCABLO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000225084299 488449491 /nfs/dbraw/zinc/44/94/91/488449491.db2.gz DSBGFIRTHJRKAV-UHFFFAOYSA-N 1 2 362.411 0.905 40 0 FCABLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1N1C(=O)CCC1=O ZINC000225111254 488449630 /nfs/dbraw/zinc/44/96/30/488449630.db2.gz UYHGSDUDIRVRFD-UHFFFAOYSA-N 1 2 367.427 0.285 40 0 FCABLO CCOC(=O)c1cnc(NC(=S)NCC[NH+]2CCOCC2)nc1C ZINC000225198513 488449861 /nfs/dbraw/zinc/44/98/61/488449861.db2.gz XBCISLKVHMNWSV-UHFFFAOYSA-N 1 2 353.448 0.580 40 0 FCABLO CS(=O)(=O)CC(=O)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247487148 488486223 /nfs/dbraw/zinc/48/62/23/488486223.db2.gz AIUHKABCVWLPHG-ZDUSSCGKSA-N 1 2 353.444 0.546 40 0 FCABLO CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2c[nH+]cn21 ZINC000247541367 488487423 /nfs/dbraw/zinc/48/74/23/488487423.db2.gz SKADKLHNOSRUEB-LBPRGKRZSA-N 1 2 370.381 0.908 40 0 FCABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)nc[nH+]1 ZINC000248136073 488493848 /nfs/dbraw/zinc/49/38/48/488493848.db2.gz RSRICXBLQYVCBC-LBPRGKRZSA-N 1 2 355.464 0.077 40 0 FCABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)[nH+]cn1 ZINC000248136073 488493851 /nfs/dbraw/zinc/49/38/51/488493851.db2.gz RSRICXBLQYVCBC-LBPRGKRZSA-N 1 2 355.464 0.077 40 0 FCABLO CN(C)c1cc(N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)[nH+]cn1 ZINC000248146785 488493887 /nfs/dbraw/zinc/49/38/87/488493887.db2.gz VZHBUZVUFUTDSY-AWEZNQCLSA-N 1 2 366.487 0.963 40 0 FCABLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@H](CC1)OCCN2S(=O)(=O)C1CC1 ZINC000248100404 488493965 /nfs/dbraw/zinc/49/39/65/488493965.db2.gz DPASSACOARWACY-CABCVRRESA-N 1 2 354.476 0.578 40 0 FCABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@H](CC1)OCCN2S(=O)(=O)C1CC1 ZINC000248100404 488493967 /nfs/dbraw/zinc/49/39/67/488493967.db2.gz DPASSACOARWACY-CABCVRRESA-N 1 2 354.476 0.578 40 0 FCABLO Cc1noc(C)c1C(=O)N1Cc2c[nH+]cn2[C@H](CNS(C)(=O)=O)C1 ZINC000251975159 488517506 /nfs/dbraw/zinc/51/75/06/488517506.db2.gz DDNAGJFLKQTACA-GFCCVEGCSA-N 1 2 353.404 0.234 40 0 FCABLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000120758242 488562959 /nfs/dbraw/zinc/56/29/59/488562959.db2.gz ZJZNOIAYIFXOMT-ZDUSSCGKSA-N 1 2 371.441 0.141 40 0 FCABLO CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000124885890 488596868 /nfs/dbraw/zinc/59/68/68/488596868.db2.gz QZEKBCBTUBVKRF-LBPRGKRZSA-N 1 2 351.432 0.415 40 0 FCABLO Cc1snnc1C(=O)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000585110594 491720263 /nfs/dbraw/zinc/72/02/63/491720263.db2.gz BVHUAVCKICLFLE-UHFFFAOYSA-N 1 2 362.459 0.574 40 0 FCABLO Cc1nc(/C=C/C(=O)N2CC[C@@H](O)[C@@H](O)[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000585290712 491721824 /nfs/dbraw/zinc/72/18/24/491721824.db2.gz UTXUHZWSEIPVCH-KLSWABSNSA-N 1 2 367.471 0.120 40 0 FCABLO CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000408605203 529145579 /nfs/dbraw/zinc/14/55/79/529145579.db2.gz MYXVZMYKOUYZNG-CQSZACIVSA-N 1 2 369.487 0.915 40 0 FCABLO C[NH+]1CCC(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 ZINC000222735830 546845242 /nfs/dbraw/zinc/84/52/42/546845242.db2.gz SYHJYGZATKHPEQ-UHFFFAOYSA-N 1 2 361.493 0.895 40 0 FCABLO COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc[nH+]c3)[C@H]2O)cc1 ZINC000952845011 1206208324 /nfs/dbraw/zinc/20/83/24/1206208324.db2.gz YIFAHSWRIUKVAE-DGXTUMSLSA-N 1 2 360.370 0.739 40 0 biogenic,in-vitro FCABLO CNC(=O)[C@@H]1CN(C(=O)CN2CCCC2=O)CC[N@@H+]1CCc1ccccc1 ZINC000257262096 529907495 /nfs/dbraw/zinc/90/74/95/529907495.db2.gz LKADYQFKAVSGRC-KRWDZBQOSA-N 1 2 372.469 0.110 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)CN2CCCC2=O)CC[N@H+]1CCc1ccccc1 ZINC000257262096 529907497 /nfs/dbraw/zinc/90/74/97/529907497.db2.gz LKADYQFKAVSGRC-KRWDZBQOSA-N 1 2 372.469 0.110 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2-c2ccccc2)CCN1C ZINC000257308030 529926781 /nfs/dbraw/zinc/92/67/81/529926781.db2.gz TVDFPMHABUZAFW-MRXNPFEDSA-N 1 2 355.442 0.829 40 0 FCABLO CNC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1C ZINC000408608674 529932613 /nfs/dbraw/zinc/93/26/13/529932613.db2.gz RUCJUADFWWJNNC-UHFFFAOYSA-N 1 2 355.460 0.355 40 0 FCABLO CC(=O)N1CCn2c(C(=O)N3CC[NH+](C)CC3)nnc2[C@H]1c1ccccc1 ZINC000306143146 210058030 /nfs/dbraw/zinc/05/80/30/210058030.db2.gz XUMXLEIDDXJVGF-MRXNPFEDSA-N 1 2 368.441 0.617 40 0 FCABLO CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)nn2C)Cc2c[nH+]cn21 ZINC000306140375 210056371 /nfs/dbraw/zinc/05/63/71/210056371.db2.gz URKVRYZLURMRHT-HNNXBMFYSA-N 1 2 352.464 0.421 40 0 FCABLO CN(C)c1ncc2c(n1)[C@@H]1CN(S(C)(=O)=O)C[C@@H]1[N@@H+](CC1CC1)C2 ZINC000306130336 210051134 /nfs/dbraw/zinc/05/11/34/210051134.db2.gz JCWKHFPUMNTTAJ-KGLIPLIRSA-N 1 2 351.476 0.496 40 0 FCABLO CN(C)c1ncc2c(n1)[C@@H]1CN(S(C)(=O)=O)C[C@@H]1[N@H+](CC1CC1)C2 ZINC000306130336 210051136 /nfs/dbraw/zinc/05/11/36/210051136.db2.gz JCWKHFPUMNTTAJ-KGLIPLIRSA-N 1 2 351.476 0.496 40 0 FCABLO O=C(C[N@@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1)N1CCCCC1 ZINC000257305189 223059455 /nfs/dbraw/zinc/05/94/55/223059455.db2.gz SOTUXTBLZRZKQM-HOTGVXAUSA-N 1 2 351.447 0.090 40 0 FCABLO O=C(C[N@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1)N1CCCCC1 ZINC000257305189 223059458 /nfs/dbraw/zinc/05/94/58/223059458.db2.gz SOTUXTBLZRZKQM-HOTGVXAUSA-N 1 2 351.447 0.090 40 0 FCABLO Cc1nc2sccn2c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257331251 223068272 /nfs/dbraw/zinc/06/82/72/223068272.db2.gz XRZSCMZFMFMNEL-TZMCWYRMSA-N 1 2 358.427 0.469 40 0 FCABLO Cc1nc2sccn2c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257331251 223068275 /nfs/dbraw/zinc/06/82/75/223068275.db2.gz XRZSCMZFMFMNEL-TZMCWYRMSA-N 1 2 358.427 0.469 40 0 FCABLO Cc1c(NC(=O)C[N@@H+]2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cnn1C ZINC000019696841 211247569 /nfs/dbraw/zinc/24/75/69/211247569.db2.gz PCLDFOLBENLTTJ-HNNXBMFYSA-N 1 2 370.457 0.695 40 0 FCABLO Cc1c(NC(=O)C[N@H+]2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cnn1C ZINC000019696841 211247570 /nfs/dbraw/zinc/24/75/70/211247570.db2.gz PCLDFOLBENLTTJ-HNNXBMFYSA-N 1 2 370.457 0.695 40 0 FCABLO Cc1c(NC(=O)C[N@@H+]2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cnn1C ZINC000019696840 211246180 /nfs/dbraw/zinc/24/61/80/211246180.db2.gz PCLDFOLBENLTTJ-OAHLLOKOSA-N 1 2 370.457 0.695 40 0 FCABLO Cc1c(NC(=O)C[N@H+]2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cnn1C ZINC000019696840 211246183 /nfs/dbraw/zinc/24/61/83/211246183.db2.gz PCLDFOLBENLTTJ-OAHLLOKOSA-N 1 2 370.457 0.695 40 0 FCABLO Cn1cc(C[N@@H+]2CCOC[C@@]3(CN(c4ccccn4)C(=O)CO3)C2)cn1 ZINC000096051365 132217809 /nfs/dbraw/zinc/21/78/09/132217809.db2.gz OBZDLYFOWDLEDO-SFHVURJKSA-N 1 2 357.414 0.450 40 0 FCABLO Cn1cc(C[N@H+]2CCOC[C@@]3(CN(c4ccccn4)C(=O)CO3)C2)cn1 ZINC000096051365 132217810 /nfs/dbraw/zinc/21/78/10/132217810.db2.gz OBZDLYFOWDLEDO-SFHVURJKSA-N 1 2 357.414 0.450 40 0 FCABLO CN(C)c1cc(NC[C@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)[nH+]cn1 ZINC000096063527 222008223 /nfs/dbraw/zinc/00/82/23/222008223.db2.gz IHSOYUCGVKFNMZ-WBMJQRKESA-N 1 2 350.423 0.283 40 0 FCABLO CN(C)c1cc(NC[C@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)nc[nH+]1 ZINC000096063527 222008225 /nfs/dbraw/zinc/00/82/25/222008225.db2.gz IHSOYUCGVKFNMZ-WBMJQRKESA-N 1 2 350.423 0.283 40 0 FCABLO COCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251266 222100188 /nfs/dbraw/zinc/10/01/88/222100188.db2.gz JMQBNPYDPMFFEI-KXBFYZLASA-N 1 2 360.458 0.861 40 0 FCABLO Cn1ccnc1C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2CC1 ZINC000096249485 222100657 /nfs/dbraw/zinc/10/06/57/222100657.db2.gz DPASSACOARWACY-LSDHHAIUSA-N 1 2 354.476 0.578 40 0 FCABLO Cn1ccnc1C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2CC1 ZINC000096249485 222100659 /nfs/dbraw/zinc/10/06/59/222100659.db2.gz DPASSACOARWACY-LSDHHAIUSA-N 1 2 354.476 0.578 40 0 FCABLO CCS(=O)(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2CC1 ZINC000096254595 222102141 /nfs/dbraw/zinc/10/21/41/222102141.db2.gz BEDQLRTXEPVNPM-UHFFFAOYSA-N 1 2 353.492 0.893 40 0 FCABLO COC[C@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000096207176 222077214 /nfs/dbraw/zinc/07/72/14/222077214.db2.gz WBGBBJQGMGYOFE-ZDUSSCGKSA-N 1 2 353.448 0.701 40 0 FCABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCOCC1 ZINC000408627076 230014686 /nfs/dbraw/zinc/01/46/86/230014686.db2.gz XVXXSDUJLCOYPC-UHFFFAOYSA-N 1 2 367.471 0.404 40 0 FCABLO C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000004995807 487483683 /nfs/dbraw/zinc/48/36/83/487483683.db2.gz NPYPUYCITBTPSF-QOIZAPAJSA-N 1 2 351.399 0.164 40 0 FCABLO C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000004995807 487483688 /nfs/dbraw/zinc/48/36/88/487483688.db2.gz NPYPUYCITBTPSF-QOIZAPAJSA-N 1 2 351.399 0.164 40 0 FCABLO C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000004995806 487483950 /nfs/dbraw/zinc/48/39/50/487483950.db2.gz NPYPUYCITBTPSF-OURGVGFUSA-N 1 2 351.399 0.164 40 0 FCABLO C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@H+]3C[C@@H](O)[C@@H](OC1=O)[C@H]23 ZINC000004995806 487483955 /nfs/dbraw/zinc/48/39/55/487483955.db2.gz NPYPUYCITBTPSF-OURGVGFUSA-N 1 2 351.399 0.164 40 0 FCABLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)C1 ZINC000012144570 487549567 /nfs/dbraw/zinc/54/95/67/487549567.db2.gz CNUUQQIDHVIIFB-CQSZACIVSA-N 1 2 359.474 0.987 40 0 FCABLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)C1 ZINC000012144570 487549570 /nfs/dbraw/zinc/54/95/70/487549570.db2.gz CNUUQQIDHVIIFB-CQSZACIVSA-N 1 2 359.474 0.987 40 0 FCABLO O=C(CN1CCN(C(=O)CNc2cccc[nH+]2)CC1)Nc1ccccn1 ZINC000036646468 487802376 /nfs/dbraw/zinc/80/23/76/487802376.db2.gz QWOSMSRLYJMSAA-UHFFFAOYSA-N 1 2 354.414 0.671 40 0 FCABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1NC(C)=O ZINC000038283228 487806841 /nfs/dbraw/zinc/80/68/41/487806841.db2.gz OMESQRKRZCAGIG-UHFFFAOYSA-N 1 2 371.459 0.654 40 0 FCABLO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](CC(=O)OC)CC1 ZINC000072341215 488379710 /nfs/dbraw/zinc/37/97/10/488379710.db2.gz UYWWYHZPJHIKSJ-UHFFFAOYSA-N 1 2 359.426 0.959 40 0 FCABLO COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222975108 488447230 /nfs/dbraw/zinc/44/72/30/488447230.db2.gz DQLGVOHHRYMGLF-HNNXBMFYSA-N 1 2 363.458 0.881 40 0 FCABLO CN(c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000225978545 488451290 /nfs/dbraw/zinc/45/12/90/488451290.db2.gz XPKPYJDERNALTK-UHFFFAOYSA-N 1 2 355.460 0.073 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(Cc3scnc3C)C2)C[N@@H+]1CC1CC1 ZINC000248046994 488493180 /nfs/dbraw/zinc/49/31/80/488493180.db2.gz QWUMLSGLORQGFG-CQSZACIVSA-N 1 2 350.488 0.863 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(Cc3scnc3C)C2)C[N@H+]1CC1CC1 ZINC000248046994 488493182 /nfs/dbraw/zinc/49/31/82/488493182.db2.gz QWUMLSGLORQGFG-CQSZACIVSA-N 1 2 350.488 0.863 40 0 FCABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000253492700 488520858 /nfs/dbraw/zinc/52/08/58/488520858.db2.gz QVURXLFSHRMUOH-HNNXBMFYSA-N 1 2 353.488 0.881 40 0 FCABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000253492700 488520861 /nfs/dbraw/zinc/52/08/61/488520861.db2.gz QVURXLFSHRMUOH-HNNXBMFYSA-N 1 2 353.488 0.881 40 0 FCABLO CS(=O)(=O)Nc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1Cl ZINC000139470231 488685241 /nfs/dbraw/zinc/68/52/41/488685241.db2.gz FMFSFJBHWAZWAZ-UHFFFAOYSA-N 1 2 361.851 0.774 40 0 FCABLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2cc[nH]c2n1 ZINC000329365328 488997640 /nfs/dbraw/zinc/99/76/40/488997640.db2.gz GJLIBLXATKWKIE-AWEZNQCLSA-N 1 2 357.414 0.226 40 0 FCABLO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CC3CC3)C2)C1 ZINC000514288813 490768468 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/nfs/dbraw/zinc/12/95/67/534129567.db2.gz YRRNTUQMPIMDNW-HUUCEWRRSA-N 1 2 355.402 0.044 40 0 FCABLO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257298380 534649618 /nfs/dbraw/zinc/64/96/18/534649618.db2.gz RLKCKLMPBSHSEG-JFIYKMOQSA-N 1 2 371.441 0.267 40 0 FCABLO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc2[nH]1 ZINC000257298380 534649626 /nfs/dbraw/zinc/64/96/26/534649626.db2.gz RLKCKLMPBSHSEG-JFIYKMOQSA-N 1 2 371.441 0.267 40 0 FCABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000585094740 546523811 /nfs/dbraw/zinc/52/38/11/546523811.db2.gz JYAHPAHPIDTGSW-LBPRGKRZSA-N 1 2 353.448 0.532 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)COc2cccc(N(C)C)c2)CC[N@@H+]1C(C)C ZINC000257322736 529907555 /nfs/dbraw/zinc/90/75/55/529907555.db2.gz WHENBNIJWLBJAG-KRWDZBQOSA-N 1 2 362.474 0.799 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)COc2cccc(N(C)C)c2)CC[N@H+]1C(C)C ZINC000257322736 529907557 /nfs/dbraw/zinc/90/75/57/529907557.db2.gz 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/nfs/dbraw/zinc/12/16/57/136121657.db2.gz BJJHRIYZBOWXRA-AWEZNQCLSA-N 1 2 350.492 0.242 40 0 FCABLO Cn1ccnc1C[N@@H+]1CCOC[C@]2(C[C@H](CNc3cnccn3)CO2)C1 ZINC000096078492 222014953 /nfs/dbraw/zinc/01/49/53/222014953.db2.gz WBXSBKPKHYSSKU-QAPCUYQASA-N 1 2 358.446 0.930 40 0 FCABLO Cn1ccnc1C[N@H+]1CCOC[C@]2(C[C@H](CNc3cnccn3)CO2)C1 ZINC000096078492 222014954 /nfs/dbraw/zinc/01/49/54/222014954.db2.gz WBXSBKPKHYSSKU-QAPCUYQASA-N 1 2 358.446 0.930 40 0 FCABLO Cn1cc[nH+]c1CN1CCOC[C@]2(C[C@H](CNc3cnccn3)CO2)C1 ZINC000096078492 222014956 /nfs/dbraw/zinc/01/49/56/222014956.db2.gz WBXSBKPKHYSSKU-QAPCUYQASA-N 1 2 358.446 0.930 40 0 FCABLO Cn1cc(CN2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC000096187496 222070705 /nfs/dbraw/zinc/07/07/05/222070705.db2.gz ODAKPECTKWIYHM-UHFFFAOYSA-N 1 2 357.462 0.100 40 0 FCABLO COCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3cccn3C)nc2C1 ZINC000096197654 222073254 /nfs/dbraw/zinc/07/32/54/222073254.db2.gz RFVVHUAXAAPCLD-UHFFFAOYSA-N 1 2 359.430 0.364 40 0 FCABLO COCC[N@H+]1CCCn2c(=O)cc(CNC(=O)c3cccn3C)nc2C1 ZINC000096197654 222073256 /nfs/dbraw/zinc/07/32/56/222073256.db2.gz RFVVHUAXAAPCLD-UHFFFAOYSA-N 1 2 359.430 0.364 40 0 FCABLO COC[C@@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000096207177 222077198 /nfs/dbraw/zinc/07/71/98/222077198.db2.gz WBGBBJQGMGYOFE-CYBMUJFWSA-N 1 2 353.448 0.701 40 0 FCABLO Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=[NH+][C@H]2c1ccccc1 ZINC000009289453 487526078 /nfs/dbraw/zinc/52/60/78/487526078.db2.gz FXDWGPATBRLDRA-QGZVFWFLSA-N 1 2 368.441 0.490 40 0 FCABLO CS(=O)(=O)N1C[C@@H](C(=O)NCCCn2cc[nH+]c2)Oc2ccccc21 ZINC000030751705 487749540 /nfs/dbraw/zinc/74/95/40/487749540.db2.gz VLZRQFYJOWWYCZ-HNNXBMFYSA-N 1 2 364.427 0.617 40 0 FCABLO CN(CCCC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000219719571 488444187 /nfs/dbraw/zinc/44/41/87/488444187.db2.gz ZEMNHEFYUHZNJC-UHFFFAOYSA-N 1 2 369.487 0.536 40 0 FCABLO COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222975163 488447525 /nfs/dbraw/zinc/44/75/25/488447525.db2.gz DQLGVOHHRYMGLF-OAHLLOKOSA-N 1 2 363.458 0.881 40 0 FCABLO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCC[NH+](C)C)s1 ZINC000225032028 488449552 /nfs/dbraw/zinc/44/95/52/488449552.db2.gz DKXLFNHFVTUAMX-UHFFFAOYSA-N 1 2 369.472 0.939 40 0 FCABLO COc1cc(N2CCCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902783 488451398 /nfs/dbraw/zinc/45/13/98/488451398.db2.gz OCBOCZBTNHFILC-UHFFFAOYSA-N 1 2 366.491 0.704 40 0 FCABLO Cc1cc(C)cc(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000243311631 488460019 /nfs/dbraw/zinc/46/00/19/488460019.db2.gz LIAUSHLEBWKTIC-UHFFFAOYSA-N 1 2 369.487 0.518 40 0 FCABLO CCS(=O)(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)[nH+]cn3)C2)OC1 ZINC000248090849 488492988 /nfs/dbraw/zinc/49/29/88/488492988.db2.gz FKNXRTWTHROMBF-CYBMUJFWSA-N 1 2 369.491 0.467 40 0 FCABLO CCS(=O)(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)nc[nH+]3)C2)OC1 ZINC000248090849 488492990 /nfs/dbraw/zinc/49/29/90/488492990.db2.gz FKNXRTWTHROMBF-CYBMUJFWSA-N 1 2 369.491 0.467 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C[N@@H+]1CC1CC1 ZINC000575403967 491552585 /nfs/dbraw/zinc/55/25/85/491552585.db2.gz JQAODDKHQXMIPQ-BPUTZDHNSA-N 1 2 365.474 0.097 40 0 FCABLO COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C[N@H+]1CC1CC1 ZINC000575403967 491552587 /nfs/dbraw/zinc/55/25/87/491552587.db2.gz JQAODDKHQXMIPQ-BPUTZDHNSA-N 1 2 365.474 0.097 40 0 FCABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCCN(c1cnccn1)C2 ZINC000585101243 491719727 /nfs/dbraw/zinc/71/97/27/491719727.db2.gz QFCJMYLALRRKJX-GOSISDBHSA-N 1 2 369.429 0.995 40 0 FCABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCOCC2)C1 ZINC000585291887 491721782 /nfs/dbraw/zinc/72/17/82/491721782.db2.gz UZSHSBQYRLBSGO-WBVHZDCISA-N 1 2 354.834 0.149 40 0 FCABLO CCCn1cc[nH+]c1CN1CCOC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257275875 528868179 /nfs/dbraw/zinc/86/81/79/528868179.db2.gz NRIPQEQNLWPSOO-GFCCVEGCSA-N 1 2 353.448 0.993 40 0 FCABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)CC1 ZINC000408611569 529150512 /nfs/dbraw/zinc/15/05/12/529150512.db2.gz XNRMBRMTWJMHST-ZDUSSCGKSA-N 1 2 355.460 0.526 40 0 FCABLO Cc1nc(N2CC3(C2)OC(=O)N2CCN(C(=O)NC(C)C)C[C@@H]23)cc[nH+]1 ZINC001549163065 1267844406 /nfs/dbraw/zinc/84/44/06/1267844406.db2.gz YGGNFZLAVXDAGB-CYBMUJFWSA-N 1 2 360.418 0.598 40 0 FCABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CC[NH2+]1 ZINC000257331639 529909383 /nfs/dbraw/zinc/90/93/83/529909383.db2.gz XTRCKRDLNYWCFU-HNNXBMFYSA-N 1 2 357.414 0.100 40 0 FCABLO CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC[NH2+]1 ZINC000257315495 529926815 /nfs/dbraw/zinc/92/68/15/529926815.db2.gz VBRGSPPLHOLPCK-LLVKDONJSA-N 1 2 366.805 0.184 40 0 FCABLO Cc1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)n(C)n1 ZINC000306142428 210058532 /nfs/dbraw/zinc/05/85/32/210058532.db2.gz WZEPNGMELXRWQW-HNNXBMFYSA-N 1 2 358.446 0.420 40 0 FCABLO Cc1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)n(C)n1 ZINC000306142428 210058537 /nfs/dbraw/zinc/05/85/37/210058537.db2.gz WZEPNGMELXRWQW-HNNXBMFYSA-N 1 2 358.446 0.420 40 0 FCABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)cn1 ZINC000306143430 210057369 /nfs/dbraw/zinc/05/73/69/210057369.db2.gz YCDHLHBNUVJOMY-HNNXBMFYSA-N 1 2 358.446 0.565 40 0 FCABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)N3CC(F)(F)C3)C2)n(C)n1 ZINC000306140424 210055262 /nfs/dbraw/zinc/05/52/62/210055262.db2.gz UTJCJJLFMDKJML-AWEZNQCLSA-N 1 2 350.373 0.959 40 0 FCABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](CCNS(C)(=O)=O)C2)n1 ZINC000248081899 222960440 /nfs/dbraw/zinc/96/04/40/222960440.db2.gz IYMKHBLLVUTYLX-ZDUSSCGKSA-N 1 2 363.443 0.723 40 0 FCABLO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257229607 223029168 /nfs/dbraw/zinc/02/91/68/223029168.db2.gz FYSZUFIIWALDCY-GFCCVEGCSA-N 1 2 351.432 0.724 40 0 FCABLO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000257229607 223029170 /nfs/dbraw/zinc/02/91/70/223029170.db2.gz FYSZUFIIWALDCY-GFCCVEGCSA-N 1 2 351.432 0.724 40 0 FCABLO Cc1ccc(OCC[NH+]2CCOCC2)c(NC(=O)C2=NNC(=O)CC2)c1 ZINC000019661878 211245751 /nfs/dbraw/zinc/24/57/51/211245751.db2.gz IAKVRFBOHWGFDW-UHFFFAOYSA-N 1 2 360.414 0.911 40 0 FCABLO COC[C@H](O)C[NH+]1CCN(C(=O)c2nnn(-c3ccccc3)c2C)CC1 ZINC000019557768 211232329 /nfs/dbraw/zinc/23/23/29/211232329.db2.gz DMBAYHCHNSJUER-MRXNPFEDSA-N 1 2 359.430 0.341 40 0 FCABLO CO[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109508 222028337 /nfs/dbraw/zinc/02/83/37/222028337.db2.gz AHALQLXJQYCACA-ZNMIVQPWSA-N 1 2 356.444 0.372 40 0 FCABLO CO[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096109508 222028340 /nfs/dbraw/zinc/02/83/40/222028340.db2.gz AHALQLXJQYCACA-ZNMIVQPWSA-N 1 2 356.444 0.372 40 0 FCABLO O=C(N[C@@H]1C[N@@H+]2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1ccccn1 ZINC000096068924 222010313 /nfs/dbraw/zinc/01/03/13/222010313.db2.gz TXEAVYUVLSVYHM-KURKYZTESA-N 1 2 354.410 0.875 40 0 FCABLO O=C(N[C@@H]1C[N@H+]2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1ccccn1 ZINC000096068924 222010315 /nfs/dbraw/zinc/01/03/15/222010315.db2.gz TXEAVYUVLSVYHM-KURKYZTESA-N 1 2 354.410 0.875 40 0 FCABLO Cc1ccc(N([C@@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000408601634 230013697 /nfs/dbraw/zinc/01/36/97/230013697.db2.gz AYUJHIWQVMGDED-HNNXBMFYSA-N 1 2 369.487 0.598 40 0 FCABLO Cc1noc([N-]S(=O)(=O)c2ccc(NC(=[NH2+])NC(N)=[NH2+])cc2)c1C ZINC000004809422 487482542 /nfs/dbraw/zinc/48/25/42/487482542.db2.gz ORMCJUYTRHMMPH-UHFFFAOYSA-N 1 2 351.392 0.922 40 0 FCABLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cn(CC(N)=O)c2ccccc12 ZINC000036743637 487803191 /nfs/dbraw/zinc/80/31/91/487803191.db2.gz GZTOEBGDVGAPNG-INIZCTEOSA-N 1 2 372.425 0.380 40 0 FCABLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CC(N)=O)c2ccccc12 ZINC000036743637 487803197 /nfs/dbraw/zinc/80/31/97/487803197.db2.gz GZTOEBGDVGAPNG-INIZCTEOSA-N 1 2 372.425 0.380 40 0 FCABLO O=S1(N2CC2)=[NH+]P(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1 ZINC000043504675 487899000 /nfs/dbraw/zinc/89/90/00/487899000.db2.gz IQMLWPPOVFMTOU-UHFFFAOYSA-N 1 2 362.340 0.768 40 0 FCABLO COc1c(Br)cncc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000072210910 488379507 /nfs/dbraw/zinc/37/95/07/488379507.db2.gz QWUONMVLBWVTKE-UHFFFAOYSA-N 1 2 350.238 0.789 40 0 FCABLO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000225520098 488450596 /nfs/dbraw/zinc/45/05/96/488450596.db2.gz NMCNLGOYBFPSIG-CYBMUJFWSA-N 1 2 355.460 0.624 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)C[N@@H+]1CC1CC1 ZINC000247952967 488492274 /nfs/dbraw/zinc/49/22/74/488492274.db2.gz MTAXFXGNIYCBAY-OAHLLOKOSA-N 1 2 374.441 0.603 40 0 FCABLO CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)C[N@H+]1CC1CC1 ZINC000247952967 488492277 /nfs/dbraw/zinc/49/22/77/488492277.db2.gz MTAXFXGNIYCBAY-OAHLLOKOSA-N 1 2 374.441 0.603 40 0 FCABLO CN(C)c1cc(N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)[nH+]cn1 ZINC000248146790 488493814 /nfs/dbraw/zinc/49/38/14/488493814.db2.gz VZHBUZVUFUTDSY-CQSZACIVSA-N 1 2 366.487 0.963 40 0 FCABLO C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN1S(C)(=O)=O ZINC000271861417 488550914 /nfs/dbraw/zinc/55/09/14/488550914.db2.gz DRRQNHFFRVWFEZ-UONOGXRCSA-N 1 2 367.475 0.336 40 0 FCABLO C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN1S(C)(=O)=O ZINC000271861411 488550944 /nfs/dbraw/zinc/55/09/44/488550944.db2.gz DRRQNHFFRVWFEZ-KBPBESRZSA-N 1 2 367.475 0.336 40 0 FCABLO CCCS(=O)(=O)N1Cc2[nH+]cn(C)c2C[C@H]1CNc1ncccn1 ZINC000585095010 491719447 /nfs/dbraw/zinc/71/94/47/491719447.db2.gz ZOWWPPDMTVMFBU-LBPRGKRZSA-N 1 2 350.448 0.789 40 0 FCABLO Cn1c[nH+]c2c1C[C@H](COc1ncccn1)N(C(=O)CC1(O)CCC1)C2 ZINC000585094901 491719472 /nfs/dbraw/zinc/71/94/72/491719472.db2.gz SVUKAPWKPVXYMX-CYBMUJFWSA-N 1 2 357.414 0.848 40 0 FCABLO Cn1ccc(CC(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)n1 ZINC000585110635 491720110 /nfs/dbraw/zinc/72/01/10/491720110.db2.gz QHPQFTFBZBZLAW-UHFFFAOYSA-N 1 2 370.457 0.660 40 0 FCABLO O=C(/C=C/c1ccc(F)cc1)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288266 491721481 /nfs/dbraw/zinc/72/14/81/491721481.db2.gz SNGJRBNWXWLBIT-HXCTZARSSA-N 1 2 350.390 0.104 40 0 FCABLO O=C(c1nccc2ccccc21)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288098 491721506 /nfs/dbraw/zinc/72/15/06/491721506.db2.gz PLCOCJHGYBIXTJ-NUJGCVRESA-N 1 2 357.410 0.113 40 0 FCABLO C[N@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccn2)[C@@H]1O ZINC000020463998 522964463 /nfs/dbraw/zinc/96/44/63/522964463.db2.gz FQKVWTWSJDYEOT-LTFPLMDUSA-N 1 2 370.453 0.594 40 0 biogenic,in-vitro FCABLO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccn2)[C@@H]1O ZINC000020463998 522964475 /nfs/dbraw/zinc/96/44/75/522964475.db2.gz FQKVWTWSJDYEOT-LTFPLMDUSA-N 1 2 370.453 0.594 40 0 biogenic,in-vitro FCABLO COc1cc(N2Cc3c[nH+]cn3[C@H](C(=O)NCC3CCOCC3)C2)ncn1 ZINC000247902594 536833448 /nfs/dbraw/zinc/83/34/48/536833448.db2.gz RHAXPRJWKOPDPS-HNNXBMFYSA-N 1 2 372.429 0.786 40 0 FCABLO COc1cc(N2Cc3c[nH+]cn3[C@@H](COCC(=O)N3CCCC3)C2)ncn1 ZINC000247878476 536833599 /nfs/dbraw/zinc/83/35/99/536833599.db2.gz IBRKBUUEEGMSPY-OAHLLOKOSA-N 1 2 372.429 0.882 40 0 FCABLO 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365.441 0.927 40 0 FCABLO Cn1cc(C[N@@H+]2Cc3ccnn3[C@H](C(=O)NCCc3ccncc3)C2)cn1 ZINC000306128869 223108247 /nfs/dbraw/zinc/10/82/47/223108247.db2.gz HNBZQMMNRDJDIC-SFHVURJKSA-N 1 2 365.441 0.927 40 0 FCABLO CCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2oc1=O ZINC000019936868 220306302 /nfs/dbraw/zinc/30/63/02/220306302.db2.gz HUPBALPUGHGFLL-UHFFFAOYSA-N 1 2 369.443 0.615 40 0 FCABLO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 ZINC000257339995 533189190 /nfs/dbraw/zinc/18/91/90/533189190.db2.gz ZEBREQQDENEJPN-MRXNPFEDSA-N 1 2 357.414 0.603 40 0 FCABLO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 ZINC000257339995 533189194 /nfs/dbraw/zinc/18/91/94/533189194.db2.gz ZEBREQQDENEJPN-MRXNPFEDSA-N 1 2 357.414 0.603 40 0 FCABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000408619496 533377213 /nfs/dbraw/zinc/37/72/13/533377213.db2.gz ICMGWHOITQESCY-UHFFFAOYSA-N 1 2 350.444 0.851 40 0 FCABLO CN(C(=O)c1cc(=O)n(C)c(=O)n1C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257258524 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