smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)CN2CC[NH+](Cc3cccc(C)c3)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000022921104 556340512 /nfs/dbraw/zinc/34/05/12/556340512.db2.gz XBLOFAZGBRIZHN-UHFFFAOYSA-N 1 1 445.563 4.132 50 10 IICAMO COc1ccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@H]2C)cc1 ZINC000061997004 556766994 /nfs/dbraw/zinc/76/69/94/556766994.db2.gz QCFMNECCTNFCRH-CZNRKLIOSA-N 1 1 436.596 4.440 50 10 biogenic IICAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000006576859 562947366 /nfs/dbraw/zinc/94/73/66/562947366.db2.gz QMTLNFNTCKJVJE-LGPLSSKUSA-N 1 1 427.633 4.213 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665585 522242075 /nfs/dbraw/zinc/24/20/75/522242075.db2.gz LLRILCHBSARCNO-XMMPIXPASA-N 1 1 440.607 4.307 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349248 522246820 /nfs/dbraw/zinc/24/68/20/522246820.db2.gz MEGGCIOIZISROW-SANMLTNESA-N 1 1 429.564 4.047 50 10 IICAMO COCCN(Cc1cc(Cl)ccc1O)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055226032 556738326 /nfs/dbraw/zinc/73/83/26/556738326.db2.gz HETLCHMGAYZBGZ-LJQANCHMSA-N 1 1 429.004 4.373 50 10 IICAMO COCCN(Cc1cc(Cl)ccc1O)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055226032 556738328 /nfs/dbraw/zinc/73/83/28/556738328.db2.gz HETLCHMGAYZBGZ-LJQANCHMSA-N 1 1 429.004 4.373 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000004301894 562943099 /nfs/dbraw/zinc/94/30/99/562943099.db2.gz QMTLNFNTCKJVJE-ARMFNRFLSA-N 1 1 427.633 4.213 50 10 IICAMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000012533225 526203335 /nfs/dbraw/zinc/20/33/35/526203335.db2.gz SZCPRZGGUGJZTG-UHFFFAOYSA-N 1 1 449.570 4.444 50 10 IICAMO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000012533225 526203340 /nfs/dbraw/zinc/20/33/40/526203340.db2.gz SZCPRZGGUGJZTG-UHFFFAOYSA-N 1 1 449.570 4.444 50 10 IICAMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058440541 556789004 /nfs/dbraw/zinc/78/90/04/556789004.db2.gz VGKOQFZMLMBBTR-LJQANCHMSA-N 1 1 427.564 4.140 50 10 IICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[N@@H+](CCOC)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524729741 568903876 /nfs/dbraw/zinc/90/38/76/568903876.db2.gz HUCOICWDMNKTBK-NZQKXSOJSA-N 1 1 442.600 4.082 50 10 biogenic IICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[NH+](CCOC)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc12 ZINC000524729741 568903878 /nfs/dbraw/zinc/90/38/78/568903878.db2.gz HUCOICWDMNKTBK-NZQKXSOJSA-N 1 1 442.600 4.082 50 10 biogenic IICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[NH+](CCOC)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc12 ZINC000524729741 568903880 /nfs/dbraw/zinc/90/38/80/568903880.db2.gz HUCOICWDMNKTBK-NZQKXSOJSA-N 1 1 442.600 4.082 50 10 biogenic IICAMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000009243797 562968428 /nfs/dbraw/zinc/96/84/28/562968428.db2.gz FYROFDDOQGUHHL-RNXOBYDBSA-N 1 1 439.600 4.110 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914578 569166115 /nfs/dbraw/zinc/16/61/15/569166115.db2.gz VGIYBODFFUQMBJ-SANMLTNESA-N 1 1 446.570 4.185 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665590 522246991 /nfs/dbraw/zinc/24/69/91/522246991.db2.gz LLRILCHBSARCNO-DEOSSOPVSA-N 1 1 440.607 4.307 50 10 IICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349242 523706578 /nfs/dbraw/zinc/70/65/78/523706578.db2.gz HDKLEJAJJFLNGJ-SANMLTNESA-N 1 1 429.564 4.291 50 10 IICAMO COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349264 524350055 /nfs/dbraw/zinc/35/00/55/524350055.db2.gz FNINROSEHUYVGR-VWLOTQADSA-N 1 1 429.564 4.291 50 10 IICAMO COc1cccc(O)c1C[N@H+]1CCc2c(cc(Cc3ccccc3C)c(=O)n2CC2CC2)C1 ZINC000014531688 556420628 /nfs/dbraw/zinc/42/06/28/556420628.db2.gz JJSKRQHIZUODQH-UHFFFAOYSA-N 1 1 444.575 4.430 50 10 IICAMO CCOc1ccc(N2CC[NH+](CCNC(=S)Nc3cc(C)ccc3Cl)CC2)cc1 ZINC000016361901 556602830 /nfs/dbraw/zinc/60/28/30/556602830.db2.gz GTZXHQPQSIOOBV-UHFFFAOYSA-N 1 1 433.021 4.156 50 10 IICAMO CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)c(C[NH+]3CCOCC3)c21 ZINC000038428435 556612637 /nfs/dbraw/zinc/61/26/37/556612637.db2.gz YHCKWSJYNLQHTM-UHFFFAOYSA-N 1 1 428.916 4.307 50 10 IICAMO CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729124 568903593 /nfs/dbraw/zinc/90/35/93/568903593.db2.gz DVXFOPIDPZWHRF-NZQKXSOJSA-N 1 1 442.600 4.164 50 10 biogenic IICAMO CCCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729124 568903595 /nfs/dbraw/zinc/90/35/95/568903595.db2.gz DVXFOPIDPZWHRF-NZQKXSOJSA-N 1 1 442.600 4.164 50 10 biogenic IICAMO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000017042934 569171315 /nfs/dbraw/zinc/17/13/15/569171315.db2.gz IARDOAUDWWCLIW-MHZLTWQESA-N 1 1 443.591 4.356 50 10 IICAMO COc1ccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@H]2C)cc1 ZINC000252694794 569210975 /nfs/dbraw/zinc/21/09/75/569210975.db2.gz QCFMNECCTNFCRH-HOXSBREMSA-N 1 1 436.596 4.440 50 10 biogenic IICAMO CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000009333882 569523207 /nfs/dbraw/zinc/52/32/07/569523207.db2.gz NYAOIZJXJZAAAS-INIZCTEOSA-N 1 1 428.341 4.001 50 10 IICAMO CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000009333882 569523208 /nfs/dbraw/zinc/52/32/08/569523208.db2.gz NYAOIZJXJZAAAS-INIZCTEOSA-N 1 1 428.341 4.001 50 10 IICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccco3)CC2)cc1 ZINC000004057490 132269269 /nfs/dbraw/zinc/26/92/69/132269269.db2.gz YALGGFXFIBVQKV-VGSWGCGISA-N 1 1 425.554 4.032 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000035827662 520922366 /nfs/dbraw/zinc/92/23/66/520922366.db2.gz FYROFDDOQGUHHL-DMDYGQEQSA-N 1 1 439.600 4.110 50 10 IICAMO COc1cccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)c1 ZINC000013688620 556278410 /nfs/dbraw/zinc/27/84/10/556278410.db2.gz UZPSXYDGWDBEIS-XMMPIXPASA-N 1 1 431.488 4.390 50 10 IICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(OC(F)F)cc4)C3)CC2)cc1 ZINC000020327470 557007942 /nfs/dbraw/zinc/00/79/42/557007942.db2.gz XKKARMBGZSJNEY-OAQYLSRUSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(OC(F)F)cc4)C3)CC2)cc1 ZINC000020327470 557007945 /nfs/dbraw/zinc/00/79/45/557007945.db2.gz XKKARMBGZSJNEY-OAQYLSRUSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CCN(C(=O)CC[N@@H+](C)Cc3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC000023073886 557061532 /nfs/dbraw/zinc/06/15/32/557061532.db2.gz GQBYHEOQQFCVJP-UHFFFAOYSA-N 1 1 447.579 4.028 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914527 569166043 /nfs/dbraw/zinc/16/60/43/569166043.db2.gz NAUMKODRWOXYRW-AREMUKBSSA-N 1 1 446.570 4.185 50 10 IICAMO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017040925 569171527 /nfs/dbraw/zinc/17/15/27/569171527.db2.gz LPXIAEXRLUQDSZ-HHHXNRCGSA-N 1 1 442.607 4.354 50 10 IICAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c3c(C(=O)c4ccco4)coc3ccc2O)CC1 ZINC000253412638 569265836 /nfs/dbraw/zinc/26/58/36/569265836.db2.gz RPCUZWREKPUPPS-UHFFFAOYSA-N 1 1 440.496 4.452 50 10 biogenic IICAMO CC[NH+]1CCN(c2cc(N3CCC(C)CC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009642024 132324497 /nfs/dbraw/zinc/32/44/97/132324497.db2.gz SRSLZMRWCGXPIS-UHFFFAOYSA-N 1 1 430.552 4.417 50 10 IICAMO COc1cccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)c1 ZINC000013688623 556278316 /nfs/dbraw/zinc/27/83/16/556278316.db2.gz UZPSXYDGWDBEIS-DEOSSOPVSA-N 1 1 431.488 4.390 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914663 569165980 /nfs/dbraw/zinc/16/59/80/569165980.db2.gz PEYONUOFXJOQTG-HSZRJFAPSA-N 1 1 434.609 4.107 50 10 IICAMO O=C(c1coc2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12)c1ccccc1 ZINC000253413112 569266003 /nfs/dbraw/zinc/26/60/03/569266003.db2.gz TUYDETQIFLBEGM-MJGOQNOKSA-N 1 1 440.499 4.150 50 10 biogenic IICAMO O=C(c1coc2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12)c1ccccc1 ZINC000253413112 569266005 /nfs/dbraw/zinc/26/60/05/569266005.db2.gz TUYDETQIFLBEGM-MJGOQNOKSA-N 1 1 440.499 4.150 50 10 biogenic IICAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccc3O)CC2)n1 ZINC000035925679 521542480 /nfs/dbraw/zinc/54/24/80/521542480.db2.gz BXLYZCGRZZGRRU-UHFFFAOYSA-N 1 1 442.567 4.186 50 10 IICAMO Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017135849 525055748 /nfs/dbraw/zinc/05/57/48/525055748.db2.gz LPIVCMYCLCIORP-HHHXNRCGSA-N 1 1 442.607 4.354 50 10 IICAMO COc1ccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)cc1 ZINC000020650281 525210895 /nfs/dbraw/zinc/21/08/95/525210895.db2.gz XUTKTGHCVGGBNI-DEOSSOPVSA-N 1 1 431.488 4.390 50 10 IICAMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000083843914 568783043 /nfs/dbraw/zinc/78/30/43/568783043.db2.gz CXXYYMBKZKBOKD-UHFFFAOYSA-N 1 1 443.591 4.455 50 10 IICAMO CCN1CC[NH+](Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)CC1 ZINC000020566343 521690095 /nfs/dbraw/zinc/69/00/95/521690095.db2.gz VRZILHFLMAUKTG-JJIBRWJFSA-N 1 1 427.552 4.042 50 10 IICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730058 569125909 /nfs/dbraw/zinc/12/59/09/569125909.db2.gz TYHDYQQWUXVKAV-NZQKXSOJSA-N 1 1 442.600 4.164 50 10 biogenic IICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349241 523707680 /nfs/dbraw/zinc/70/76/80/523707680.db2.gz HDKLEJAJJFLNGJ-AREMUKBSSA-N 1 1 429.564 4.291 50 10 IICAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1O ZINC000020538327 525939066 /nfs/dbraw/zinc/93/90/66/525939066.db2.gz GKGPZQKHJUQBNE-OAQYLSRUSA-N 1 1 449.517 4.206 50 10 IICAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1F ZINC000034681914 555815692 /nfs/dbraw/zinc/81/56/92/555815692.db2.gz YUVRXXMSMFMEPA-UHFFFAOYSA-N 1 1 438.478 4.030 50 10 IICAMO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000089921961 569167787 /nfs/dbraw/zinc/16/77/87/569167787.db2.gz VAOZHFOARDPBBC-LPTQZCDUSA-N 1 1 441.959 4.035 50 10 IICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(OC)c2O)N3)C1 ZINC000008928032 569487391 /nfs/dbraw/zinc/48/73/91/569487391.db2.gz FJLBHLCQHAHPEW-INIZCTEOSA-N 1 1 438.347 4.032 50 10 IICAMO CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)C[NH+]3CCCCC3)c2C)c1 ZINC000012625441 521429517 /nfs/dbraw/zinc/42/95/17/521429517.db2.gz UGAFYLXMIMMGMR-UHFFFAOYSA-N 1 1 440.540 4.116 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349247 522241369 /nfs/dbraw/zinc/24/13/69/522241369.db2.gz MEGGCIOIZISROW-AREMUKBSSA-N 1 1 429.564 4.047 50 10 IICAMO COc1ccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)cc1 ZINC000020650278 525380967 /nfs/dbraw/zinc/38/09/67/525380967.db2.gz XUTKTGHCVGGBNI-XMMPIXPASA-N 1 1 431.488 4.390 50 10 IICAMO COc1ccc(N2CCC[N@H+](CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 ZINC000084700062 568800009 /nfs/dbraw/zinc/80/00/09/568800009.db2.gz XAAJGWOZEHAFDJ-LJQANCHMSA-N 1 1 425.598 4.125 50 10 IICAMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 ZINC000084700062 568800011 /nfs/dbraw/zinc/80/00/11/568800011.db2.gz XAAJGWOZEHAFDJ-LJQANCHMSA-N 1 1 425.598 4.125 50 10 IICAMO O=C1/C(=C/N2CC[NH+](C/C=C/c3ccccc3)CC2)SC(=S)N1CCc1ccccc1 ZINC000030819330 556506399 /nfs/dbraw/zinc/50/63/99/556506399.db2.gz DDCSDFUIZUSMAW-STZIKMNUSA-N 1 1 449.645 4.262 50 10 IICAMO CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000006764241 568978746 /nfs/dbraw/zinc/97/87/46/568978746.db2.gz ZEUVWHYTAZCREM-UHFFFAOYSA-N 1 1 426.944 4.469 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914574 569166068 /nfs/dbraw/zinc/16/60/68/569166068.db2.gz VGIYBODFFUQMBJ-AREMUKBSSA-N 1 1 446.570 4.185 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000035827664 520922340 /nfs/dbraw/zinc/92/23/40/520922340.db2.gz FYROFDDOQGUHHL-ARMFNRFLSA-N 1 1 439.600 4.110 50 10 IICAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000012640429 522517145 /nfs/dbraw/zinc/51/71/45/522517145.db2.gz KMGHXORGIVFDHK-UHFFFAOYSA-N 1 1 448.611 4.420 50 10 IICAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000012640429 522517155 /nfs/dbraw/zinc/51/71/55/522517155.db2.gz KMGHXORGIVFDHK-UHFFFAOYSA-N 1 1 448.611 4.420 50 10 IICAMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)cc1 ZINC000034681719 555815000 /nfs/dbraw/zinc/81/50/00/555815000.db2.gz LPSKYSZWJZBXHZ-UHFFFAOYSA-N 1 1 447.558 4.251 50 10 IICAMO Cc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(N(C)C)cc4)CC3)nc2)c1 ZINC000034681860 555815624 /nfs/dbraw/zinc/81/56/24/555815624.db2.gz XRISWIFPFMOHRA-UHFFFAOYSA-N 1 1 443.595 4.421 50 10 IICAMO COc1ccc(N2CC[NH+](Cc3cccc(C(=O)N(C)Cc4ccccc4)c3)CC2)cc1 ZINC000034684245 555819798 /nfs/dbraw/zinc/81/97/98/555819798.db2.gz XKGOEMIJLLLQHI-UHFFFAOYSA-N 1 1 429.564 4.290 50 10 IICAMO CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)c(C[NH+]3CCOCC3)c21 ZINC000068755248 556849744 /nfs/dbraw/zinc/84/97/44/556849744.db2.gz XJWRIIBRANNLOI-UHFFFAOYSA-N 1 1 428.916 4.307 50 10 IICAMO Cc1cc(C(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000016049590 568869342 /nfs/dbraw/zinc/86/93/42/568869342.db2.gz KDIBALIMLFPJAH-LBPRGKRZSA-N 1 1 433.484 4.013 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560566 522247724 /nfs/dbraw/zinc/24/77/24/522247724.db2.gz LAYSGXTXICASGS-VWLOTQADSA-N 1 1 447.554 4.186 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000016009687 556573701 /nfs/dbraw/zinc/57/37/01/556573701.db2.gz FYROFDDOQGUHHL-LGPLSSKUSA-N 1 1 439.600 4.110 50 10 IICAMO Oc1cc2c(cc1C[NH+]1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)OCO2 ZINC000022920383 557047426 /nfs/dbraw/zinc/04/74/26/557047426.db2.gz KQSZGSNWGAFUCX-UHFFFAOYSA-N 1 1 438.474 4.306 50 10 IICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000023374934 568614077 /nfs/dbraw/zinc/61/40/77/568614077.db2.gz DSLMRCXEXGHJEU-NRFANRHFSA-N 1 1 449.517 4.206 50 10 IICAMO COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914162 569166004 /nfs/dbraw/zinc/16/60/04/569166004.db2.gz IZURPXBFTJJFPZ-MHZLTWQESA-N 1 1 443.591 4.220 50 10 IICAMO Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000022665466 524196435 /nfs/dbraw/zinc/19/64/35/524196435.db2.gz AKCCATAOUSHGRP-HHHXNRCGSA-N 1 1 442.607 4.354 50 10 IICAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)CC2)cc1 ZINC000054105951 563142206 /nfs/dbraw/zinc/14/22/06/563142206.db2.gz HXRUWPWCBPRHEV-UHFFFAOYSA-N 1 1 442.515 4.496 50 10 aggregator IICAMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000089921966 569167734 /nfs/dbraw/zinc/16/77/34/569167734.db2.gz VAOZHFOARDPBBC-IPHXSNPTSA-N 1 1 441.959 4.035 50 10 IICAMO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017040928 569171483 /nfs/dbraw/zinc/17/14/83/569171483.db2.gz LPXIAEXRLUQDSZ-MHZLTWQESA-N 1 1 442.607 4.354 50 10 IICAMO Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000017135496 569174358 /nfs/dbraw/zinc/17/43/58/569174358.db2.gz WXNUBKBLBLMUSL-AREMUKBSSA-N 1 1 449.620 4.139 50 10 IICAMO Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000017135496 569174359 /nfs/dbraw/zinc/17/43/59/569174359.db2.gz WXNUBKBLBLMUSL-AREMUKBSSA-N 1 1 449.620 4.139 50 10 IICAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000020489471 527672487 /nfs/dbraw/zinc/67/24/87/527672487.db2.gz LUQVTWZSEYUCTN-UHFFFAOYSA-N 1 1 443.591 4.475 50 10 IICAMO COc1ccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)cc1 ZINC000061997005 556767053 /nfs/dbraw/zinc/76/70/53/556767053.db2.gz QCFMNECCTNFCRH-JZBYRABOSA-N 1 1 436.596 4.440 50 10 biogenic IICAMO CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(C[NH+]3CCOCC3)c21 ZINC000020437105 563024806 /nfs/dbraw/zinc/02/48/06/563024806.db2.gz MOYCVQNAQRFXAY-UHFFFAOYSA-N 1 1 440.565 4.185 50 10 IICAMO COCC[N@H+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729147 568903631 /nfs/dbraw/zinc/90/36/31/568903631.db2.gz FZNBYZGQXNKAJR-RBBKRZOGSA-N 1 1 442.600 4.137 50 10 biogenic IICAMO COCC[NH+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729147 568903633 /nfs/dbraw/zinc/90/36/33/568903633.db2.gz FZNBYZGQXNKAJR-RBBKRZOGSA-N 1 1 442.600 4.137 50 10 biogenic IICAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000017050916 569171799 /nfs/dbraw/zinc/17/17/99/569171799.db2.gz KTNXBBSIRWNUCU-AREMUKBSSA-N 1 1 449.620 4.139 50 10 IICAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000017050916 569171800 /nfs/dbraw/zinc/17/18/00/569171800.db2.gz KTNXBBSIRWNUCU-AREMUKBSSA-N 1 1 449.620 4.139 50 10 IICAMO CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000009333884 569523256 /nfs/dbraw/zinc/52/32/56/569523256.db2.gz NYAOIZJXJZAAAS-MRXNPFEDSA-N 1 1 428.341 4.001 50 10 IICAMO CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000009333884 569523255 /nfs/dbraw/zinc/52/32/55/569523255.db2.gz NYAOIZJXJZAAAS-MRXNPFEDSA-N 1 1 428.341 4.001 50 10 IICAMO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000012630806 524435193 /nfs/dbraw/zinc/43/51/93/524435193.db2.gz AKDHCFUHLPSKAA-HSZRJFAPSA-N 1 1 443.591 4.435 50 10 IICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(OC(F)F)cc4)C3)CC2)cc1 ZINC000020327475 557008143 /nfs/dbraw/zinc/00/81/43/557008143.db2.gz XKKARMBGZSJNEY-NRFANRHFSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(OC(F)F)cc4)C3)CC2)cc1 ZINC000020327475 557008145 /nfs/dbraw/zinc/00/81/45/557008145.db2.gz XKKARMBGZSJNEY-NRFANRHFSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914158 569166123 /nfs/dbraw/zinc/16/61/23/569166123.db2.gz IZURPXBFTJJFPZ-HHHXNRCGSA-N 1 1 443.591 4.220 50 10 IICAMO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000017135497 569174346 /nfs/dbraw/zinc/17/43/46/569174346.db2.gz WXNUBKBLBLMUSL-SANMLTNESA-N 1 1 449.620 4.139 50 10 IICAMO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000017135497 569174347 /nfs/dbraw/zinc/17/43/47/569174347.db2.gz WXNUBKBLBLMUSL-SANMLTNESA-N 1 1 449.620 4.139 50 10 IICAMO O=C(c1ccsc1)c1coc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225427571 569300018 /nfs/dbraw/zinc/30/00/18/569300018.db2.gz ZRTTYZNDJPHTRS-WBVHZDCISA-N 1 1 446.528 4.212 50 10 IICAMO O=C(c1ccsc1)c1coc2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225427571 569300019 /nfs/dbraw/zinc/30/00/19/569300019.db2.gz ZRTTYZNDJPHTRS-WBVHZDCISA-N 1 1 446.528 4.212 50 10 IICAMO O=C(c1ccsc1)c1coc2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225427571 569300020 /nfs/dbraw/zinc/30/00/20/569300020.db2.gz ZRTTYZNDJPHTRS-WBVHZDCISA-N 1 1 446.528 4.212 50 10 IICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(OC)c2O)N3)C1 ZINC000008928034 569487378 /nfs/dbraw/zinc/48/73/78/569487378.db2.gz FJLBHLCQHAHPEW-MRXNPFEDSA-N 1 1 438.347 4.032 50 10 IICAMO CC[N@@H+](CCO)CCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000009641212 132324234 /nfs/dbraw/zinc/32/42/34/132324234.db2.gz SZMZKEKREKRMBX-KRWDZBQOSA-N 1 1 448.567 4.002 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665377 522241782 /nfs/dbraw/zinc/24/17/82/522241782.db2.gz MJVBIPAVXVCAAK-AREMUKBSSA-N 1 1 428.580 4.046 50 10 IICAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012459707 524048190 /nfs/dbraw/zinc/04/81/90/524048190.db2.gz AOPSPADCEICVIV-KRWDZBQOSA-N 1 1 446.975 4.371 50 10 IICAMO O=c1oc2c(cc(Cl)c([O-])c2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2c1CCC2 ZINC000013623768 556536089 /nfs/dbraw/zinc/53/60/89/556536089.db2.gz AFLWCAAJDLXCGZ-UHFFFAOYSA-N 1 1 438.955 4.395 50 10 IICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4OC(F)F)C3)CC2)cc1 ZINC000020363753 557011952 /nfs/dbraw/zinc/01/19/52/557011952.db2.gz GJKZIFVJLLCSGX-OAQYLSRUSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4OC(F)F)C3)CC2)cc1 ZINC000020363753 557011954 /nfs/dbraw/zinc/01/19/54/557011954.db2.gz GJKZIFVJLLCSGX-OAQYLSRUSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CCC[N@H+](CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 ZINC000084700063 568800040 /nfs/dbraw/zinc/80/00/40/568800040.db2.gz XAAJGWOZEHAFDJ-IBGZPJMESA-N 1 1 425.598 4.125 50 10 IICAMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 ZINC000084700063 568800043 /nfs/dbraw/zinc/80/00/43/568800043.db2.gz XAAJGWOZEHAFDJ-IBGZPJMESA-N 1 1 425.598 4.125 50 10 IICAMO Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000017042929 569171335 /nfs/dbraw/zinc/17/13/35/569171335.db2.gz IARDOAUDWWCLIW-HHHXNRCGSA-N 1 1 443.591 4.356 50 10 IICAMO COC(=O)CC1CC[NH+](Cc2c3c(C(=O)c4ccc(OC)cc4)coc3ccc2O)CC1 ZINC000253412252 569265847 /nfs/dbraw/zinc/26/58/47/569265847.db2.gz QJTYOHCSNKSIIJ-UHFFFAOYSA-N 1 1 437.492 4.153 50 10 biogenic IICAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914012 569165943 /nfs/dbraw/zinc/16/59/43/569165943.db2.gz XBNSLFVFRZTRAM-AREMUKBSSA-N 1 1 434.628 4.312 50 10 IICAMO CCOCCCNc1cc(N2CC[NH+](CC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857855 519898266 /nfs/dbraw/zinc/89/82/66/519898266.db2.gz HTTUODJSGRBTOM-UHFFFAOYSA-N 1 1 434.540 4.020 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000002439843 556099522 /nfs/dbraw/zinc/09/95/22/556099522.db2.gz FYROFDDOQGUHHL-SKBVVQJISA-N 1 1 439.600 4.110 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036653785 569130193 /nfs/dbraw/zinc/13/01/93/569130193.db2.gz OGSZHSAKCWMMAG-VWLOTQADSA-N 1 1 444.535 4.190 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[N@H+]2CCc3ccccc3C2)cc1 ZINC000036653785 569130196 /nfs/dbraw/zinc/13/01/96/569130196.db2.gz OGSZHSAKCWMMAG-VWLOTQADSA-N 1 1 444.535 4.190 50 10 IICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccco3)CC2)cc1 ZINC000004057492 132269304 /nfs/dbraw/zinc/26/93/04/132269304.db2.gz YALGGFXFIBVQKV-VGOFRKELSA-N 1 1 425.554 4.032 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665383 522247774 /nfs/dbraw/zinc/24/77/74/522247774.db2.gz MJVBIPAVXVCAAK-SANMLTNESA-N 1 1 428.580 4.046 50 10 IICAMO Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000022665471 524195665 /nfs/dbraw/zinc/19/56/65/524195665.db2.gz AKCCATAOUSHGRP-MHZLTWQESA-N 1 1 442.607 4.354 50 10 IICAMO Cc1cc(C(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000016049589 568869390 /nfs/dbraw/zinc/86/93/90/568869390.db2.gz KDIBALIMLFPJAH-GFCCVEGCSA-N 1 1 433.484 4.013 50 10 IICAMO Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017135850 569174489 /nfs/dbraw/zinc/17/44/89/569174489.db2.gz LPIVCMYCLCIORP-MHZLTWQESA-N 1 1 442.607 4.354 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560563 522242532 /nfs/dbraw/zinc/24/25/32/522242532.db2.gz LAYSGXTXICASGS-RUZDIDTESA-N 1 1 447.554 4.186 50 10 IICAMO COc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1O ZINC000020538330 525938943 /nfs/dbraw/zinc/93/89/43/525938943.db2.gz GKGPZQKHJUQBNE-NRFANRHFSA-N 1 1 449.517 4.206 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914131 569165900 /nfs/dbraw/zinc/16/59/00/569165900.db2.gz FTCFXIJHWYZGIV-AREMUKBSSA-N 1 1 431.555 4.350 50 10 IICAMO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000017136049 569174528 /nfs/dbraw/zinc/17/45/28/569174528.db2.gz IZWMJCNNOZTCDP-AREMUKBSSA-N 1 1 443.591 4.356 50 10 IICAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3ccc(N(C)C)cc3)cc2)cc1 ZINC000009220747 569512554 /nfs/dbraw/zinc/51/25/54/569512554.db2.gz YVXSXIAEWAVCAX-UHFFFAOYSA-N 1 1 446.551 4.084 50 10 IICAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(N(C)C)cc3)cc2)cc1 ZINC000009220747 569512555 /nfs/dbraw/zinc/51/25/55/569512555.db2.gz YVXSXIAEWAVCAX-UHFFFAOYSA-N 1 1 446.551 4.084 50 10 IICAMO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000008706765 132291167 /nfs/dbraw/zinc/29/11/67/132291167.db2.gz DWFNXGMWQTWBIU-UHFFFAOYSA-N 1 1 429.564 4.185 50 10 IICAMO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000008706765 132291168 /nfs/dbraw/zinc/29/11/68/132291168.db2.gz DWFNXGMWQTWBIU-UHFFFAOYSA-N 1 1 429.564 4.185 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665637 522241588 /nfs/dbraw/zinc/24/15/88/522241588.db2.gz CMXFRVFVSAXGJW-RUZDIDTESA-N 1 1 438.591 4.061 50 10 IICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000023374933 568614052 /nfs/dbraw/zinc/61/40/52/568614052.db2.gz DSLMRCXEXGHJEU-OAQYLSRUSA-N 1 1 449.517 4.206 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914136 569165871 /nfs/dbraw/zinc/16/58/71/569165871.db2.gz FTCFXIJHWYZGIV-SANMLTNESA-N 1 1 431.555 4.350 50 10 IICAMO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000017136050 569174475 /nfs/dbraw/zinc/17/44/75/569174475.db2.gz IZWMJCNNOZTCDP-SANMLTNESA-N 1 1 443.591 4.356 50 10 IICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1O ZINC000020448804 521336582 /nfs/dbraw/zinc/33/65/82/521336582.db2.gz JDFXORKCCZHUNF-JOCHJYFZSA-N 1 1 429.992 4.231 50 10 IICAMO COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349263 524352758 /nfs/dbraw/zinc/35/27/58/524352758.db2.gz FNINROSEHUYVGR-RUZDIDTESA-N 1 1 429.564 4.291 50 10 IICAMO COc1ccc(N2CCN(C(=O)c3c(C)oc4c3C[N@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000065289659 569130618 /nfs/dbraw/zinc/13/06/18/569130618.db2.gz IMTBXNPFMYOCHS-UHFFFAOYSA-N 1 1 445.563 4.117 50 10 IICAMO COc1ccc(N2CCN(C(=O)c3c(C)oc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000065289659 569130619 /nfs/dbraw/zinc/13/06/19/569130619.db2.gz IMTBXNPFMYOCHS-UHFFFAOYSA-N 1 1 445.563 4.117 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914632 569166084 /nfs/dbraw/zinc/16/60/84/569166084.db2.gz KANDMHWDSVDKMA-SANMLTNESA-N 1 1 446.570 4.185 50 10 IICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccco3)CC2)cc1 ZINC000004057491 132269262 /nfs/dbraw/zinc/26/92/62/132269262.db2.gz YALGGFXFIBVQKV-HTAPYJJXSA-N 1 1 425.554 4.032 50 10 IICAMO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000035349265 525822039 /nfs/dbraw/zinc/82/20/39/525822039.db2.gz FMHAEGAWAKEKOL-AREMUKBSSA-N 1 1 429.564 4.291 50 10 IICAMO COCCC[N@H+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729754 568903952 /nfs/dbraw/zinc/90/39/52/568903952.db2.gz IIQYOXGMHYEWRT-NZQKXSOJSA-N 1 1 442.600 4.218 50 10 biogenic IICAMO COCCC[NH+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729754 568903954 /nfs/dbraw/zinc/90/39/54/568903954.db2.gz IIQYOXGMHYEWRT-NZQKXSOJSA-N 1 1 442.600 4.218 50 10 biogenic IICAMO COCCC[NH+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729754 568903956 /nfs/dbraw/zinc/90/39/56/568903956.db2.gz IIQYOXGMHYEWRT-NZQKXSOJSA-N 1 1 442.600 4.218 50 10 biogenic IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036653783 569130208 /nfs/dbraw/zinc/13/02/08/569130208.db2.gz OGSZHSAKCWMMAG-RUZDIDTESA-N 1 1 444.535 4.190 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[N@H+]2CCc3ccccc3C2)cc1 ZINC000036653783 569130210 /nfs/dbraw/zinc/13/02/10/569130210.db2.gz OGSZHSAKCWMMAG-RUZDIDTESA-N 1 1 444.535 4.190 50 10 IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914388 569166053 /nfs/dbraw/zinc/16/60/53/569166053.db2.gz NKOKVIIJLOMZED-AREMUKBSSA-N 1 1 446.570 4.185 50 10 IICAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+](C)C4CCN(C)CC4)c32)cc1 ZINC000008717864 569471231 /nfs/dbraw/zinc/47/12/31/569471231.db2.gz BMYKPFYRXDRVHZ-UHFFFAOYSA-N 1 1 437.540 4.234 50 10 IICAMO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+](C)C4CCN(C)CC4)c32)cc1 ZINC000008717864 569471232 /nfs/dbraw/zinc/47/12/32/569471232.db2.gz BMYKPFYRXDRVHZ-UHFFFAOYSA-N 1 1 437.540 4.234 50 10 IICAMO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000012630802 524431195 /nfs/dbraw/zinc/43/11/95/524431195.db2.gz AKDHCFUHLPSKAA-QHCPKHFHSA-N 1 1 443.591 4.435 50 10 IICAMO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)c1C ZINC000019902734 556942341 /nfs/dbraw/zinc/94/23/41/556942341.db2.gz NOMBSCUOMMXUCE-UHFFFAOYSA-N 1 1 438.593 4.286 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000004301893 562943069 /nfs/dbraw/zinc/94/30/69/562943069.db2.gz QMTLNFNTCKJVJE-DMDYGQEQSA-N 1 1 427.633 4.213 50 10 IICAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000006576857 562947308 /nfs/dbraw/zinc/94/73/08/562947308.db2.gz QMTLNFNTCKJVJE-SKBVVQJISA-N 1 1 427.633 4.213 50 10 IICAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000017050919 569171808 /nfs/dbraw/zinc/17/18/08/569171808.db2.gz KTNXBBSIRWNUCU-SANMLTNESA-N 1 1 449.620 4.139 50 10 IICAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000017050919 569171810 /nfs/dbraw/zinc/17/18/10/569171810.db2.gz KTNXBBSIRWNUCU-SANMLTNESA-N 1 1 449.620 4.139 50 10 IICAMO CC[N@@H+](CCO)CCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322093 569360239 /nfs/dbraw/zinc/36/02/39/569360239.db2.gz SZMZKEKREKRMBX-QGZVFWFLSA-N 1 1 448.567 4.002 50 10 IICAMO O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000008917977 569486188 /nfs/dbraw/zinc/48/61/88/569486188.db2.gz BMCUFBYPLYBZRH-WMZHIEFXSA-N 1 1 431.532 4.201 50 10 biogenic IICAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665642 522247919 /nfs/dbraw/zinc/24/79/19/522247919.db2.gz CMXFRVFVSAXGJW-VWLOTQADSA-N 1 1 438.591 4.061 50 10 IICAMO CCn1cc(/C=C2/c3ccc(Cl)cc3N(CN3CC[NH+](C)CC3)C2=O)c2ccccc21 ZINC000022785363 523307497 /nfs/dbraw/zinc/30/74/97/523307497.db2.gz RGAXKZNIFZHADQ-HMAPJEAMSA-N 1 1 434.971 4.407 50 10 IICAMO O=C1/C(=C\N2CC[NH+](C/C=C/c3ccccc3)CC2)SC(=S)N1CCc1ccccc1 ZINC000020649251 526945123 /nfs/dbraw/zinc/94/51/23/526945123.db2.gz DDCSDFUIZUSMAW-WIBRGDPGSA-N 1 1 449.645 4.262 50 10 IICAMO COc1ccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@@H]2C)cc1 ZINC000105369080 557496169 /nfs/dbraw/zinc/49/61/69/557496169.db2.gz QCFMNECCTNFCRH-OONXPTISSA-N 1 1 436.596 4.440 50 10 biogenic IICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914392 569166134 /nfs/dbraw/zinc/16/61/34/569166134.db2.gz NKOKVIIJLOMZED-SANMLTNESA-N 1 1 446.570 4.185 50 10 IICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3ccco3)CC2)cc1 ZINC000004057489 132269230 /nfs/dbraw/zinc/26/92/30/132269230.db2.gz YALGGFXFIBVQKV-JTSKRJEESA-N 1 1 425.554 4.032 50 10 IICAMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1O ZINC000020448807 521341584 /nfs/dbraw/zinc/34/15/84/521341584.db2.gz JDFXORKCCZHUNF-QFIPXVFZSA-N 1 1 429.992 4.231 50 10 IICAMO Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000041585933 526352688 /nfs/dbraw/zinc/35/26/88/526352688.db2.gz CGENBQYXOQTQEK-UHFFFAOYSA-N 1 1 440.425 4.335 50 10 IICAMO C[NH+]1CCN(c2cc(N3CCc4ccccc43)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009612345 536420264 /nfs/dbraw/zinc/42/02/64/536420264.db2.gz WFXHPGXYMDYRTR-UHFFFAOYSA-N 1 1 436.515 4.485 50 10 IICAMO COc1ccc(N2CCN(C(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)CC2)cc1 ZINC000016156554 556586044 /nfs/dbraw/zinc/58/60/44/556586044.db2.gz JXRLHXUKFHRASA-UHFFFAOYSA-N 1 1 441.575 4.216 50 10 IICAMO COCCN(Cc1cc(Cl)ccc1O)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055226029 556738251 /nfs/dbraw/zinc/73/82/51/556738251.db2.gz HETLCHMGAYZBGZ-IBGZPJMESA-N 1 1 429.004 4.373 50 10 IICAMO COCCN(Cc1cc(Cl)ccc1O)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055226029 556738254 /nfs/dbraw/zinc/73/82/54/556738254.db2.gz HETLCHMGAYZBGZ-IBGZPJMESA-N 1 1 429.004 4.373 50 10 IICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccc4OC(F)F)C3)CC2)cc1 ZINC000020363755 557011945 /nfs/dbraw/zinc/01/19/45/557011945.db2.gz GJKZIFVJLLCSGX-NRFANRHFSA-N 1 1 431.527 4.083 50 10 IICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccccc4OC(F)F)C3)CC2)cc1 ZINC000020363755 557011947 /nfs/dbraw/zinc/01/19/47/557011947.db2.gz GJKZIFVJLLCSGX-NRFANRHFSA-N 1 1 431.527 4.083 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914016 569165915 /nfs/dbraw/zinc/16/59/15/569165915.db2.gz XBNSLFVFRZTRAM-SANMLTNESA-N 1 1 434.628 4.312 50 10 IICAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008451353 132282334 /nfs/dbraw/zinc/28/23/34/132282334.db2.gz RBXVTBRREZJBBJ-HYARGMPZSA-N 1 1 444.560 4.444 50 10 IICAMO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000035349266 525819600 /nfs/dbraw/zinc/81/96/00/525819600.db2.gz FMHAEGAWAKEKOL-SANMLTNESA-N 1 1 429.564 4.291 50 10 IICAMO CC[NH+](CC)Cc1c2c3ccnc4c3n(c2ccc1O)c(=O)c1c4ccc(OC)c1OC ZINC000008792339 568927160 /nfs/dbraw/zinc/92/71/60/568927160.db2.gz RFCSBBBTTUECSD-UHFFFAOYSA-N 1 1 431.492 4.157 50 10 biogenic IICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914627 569166080 /nfs/dbraw/zinc/16/60/80/569166080.db2.gz KANDMHWDSVDKMA-AREMUKBSSA-N 1 1 446.570 4.185 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914531 569166128 /nfs/dbraw/zinc/16/61/28/569166128.db2.gz NAUMKODRWOXYRW-SANMLTNESA-N 1 1 446.570 4.185 50 10 IICAMO CC[NH+]1CCN(c2cc(NCc3ccco3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009641974 132324499 /nfs/dbraw/zinc/32/44/99/132324499.db2.gz CQCGCGJUDDNTNS-UHFFFAOYSA-N 1 1 428.492 4.386 50 10 IICAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012459708 524048538 /nfs/dbraw/zinc/04/85/38/524048538.db2.gz AOPSPADCEICVIV-QGZVFWFLSA-N 1 1 446.975 4.371 50 10 IICAMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccc1 ZINC000014095906 556367887 /nfs/dbraw/zinc/36/78/87/556367887.db2.gz KWYZOAKWYVLOAD-UHFFFAOYSA-N 1 1 431.580 4.305 50 10 IICAMO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccc1 ZINC000014095906 556367890 /nfs/dbraw/zinc/36/78/90/556367890.db2.gz KWYZOAKWYVLOAD-UHFFFAOYSA-N 1 1 431.580 4.305 50 10 IICAMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058440539 556788969 /nfs/dbraw/zinc/78/89/69/556788969.db2.gz VGKOQFZMLMBBTR-IBGZPJMESA-N 1 1 427.564 4.140 50 10 IICAMO CN(C)c1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914668 569166039 /nfs/dbraw/zinc/16/60/39/569166039.db2.gz PEYONUOFXJOQTG-QHCPKHFHSA-N 1 1 434.609 4.107 50 10 IICAMO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000252517916 569189289 /nfs/dbraw/zinc/18/92/89/569189289.db2.gz VAOZHFOARDPBBC-NQERJWCQSA-N 1 1 441.959 4.035 50 10 IICAMO