smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2c(Cc3ccccc3)noc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000041585045 526353345 /nfs/dbraw/zinc/35/33/45/526353345.db2.gz OKMXWOVLETZJJP-UHFFFAOYSA-N 1 1 457.530 4.171 50 10 JICAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000009208515 554976904 /nfs/dbraw/zinc/97/69/04/554976904.db2.gz MRNLTCWFONHLPB-UHFFFAOYSA-N 1 1 472.589 4.154 50 10 JICAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000009208515 554976907 /nfs/dbraw/zinc/97/69/07/554976907.db2.gz MRNLTCWFONHLPB-UHFFFAOYSA-N 1 1 472.589 4.154 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000015780693 555999250 /nfs/dbraw/zinc/99/92/50/555999250.db2.gz OWEZWCQBHCUYLH-HHHXNRCGSA-N 1 1 496.611 4.152 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914112 556177815 /nfs/dbraw/zinc/17/78/15/556177815.db2.gz FKFDAGRZIWMFMN-HHHXNRCGSA-N 1 1 478.587 4.253 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016914288 556178238 /nfs/dbraw/zinc/17/82/38/556178238.db2.gz RHUPWRVXZWNUGD-SANMLTNESA-N 1 1 488.632 4.063 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914523 556178729 /nfs/dbraw/zinc/17/87/29/556178729.db2.gz ZONZNHXLWAFPGU-SANMLTNESA-N 1 1 464.560 4.324 50 10 JICAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000017011416 556201074 /nfs/dbraw/zinc/20/10/74/556201074.db2.gz KZKQRZLIUYFBKH-RUZDIDTESA-N 1 1 467.610 4.278 50 10 JICAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000017011416 556201079 /nfs/dbraw/zinc/20/10/79/556201079.db2.gz KZKQRZLIUYFBKH-RUZDIDTESA-N 1 1 467.610 4.278 50 10 JICAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4noc(-c5ccc(C)cc5)c4c3)CC2)cc1 ZINC000063671486 569615994 /nfs/dbraw/zinc/61/59/94/569615994.db2.gz OUGUXUHRJHOIDH-UHFFFAOYSA-N 1 1 470.573 4.364 50 10 JICAMO COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560576 569704205 /nfs/dbraw/zinc/70/42/05/569704205.db2.gz XECPBRLXHOCQDH-HHHXNRCGSA-N 1 1 459.590 4.056 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000020289444 555760642 /nfs/dbraw/zinc/76/06/42/555760642.db2.gz AXZPGDFBCOMVOG-DFBJGRDBSA-N 1 1 495.645 4.456 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)COc3ccccc3)CC2)cc1 ZINC000023181627 556027880 /nfs/dbraw/zinc/02/78/80/556027880.db2.gz ILGIJHUFEMMMNW-FNZWTVRRSA-N 1 1 465.619 4.204 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914403 556178300 /nfs/dbraw/zinc/17/83/00/556178300.db2.gz HTTLXNJOQVBXNC-MHZLTWQESA-N 1 1 476.596 4.194 50 10 JICAMO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000016914564 556178503 /nfs/dbraw/zinc/17/85/03/556178503.db2.gz HEZMICALKWMHEW-RUZDIDTESA-N 1 1 459.590 4.299 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059822523 563209329 /nfs/dbraw/zinc/20/93/29/563209329.db2.gz AVJGFCHQWWGREE-BVZFJXPGSA-N 1 1 479.602 4.167 50 10 JICAMO CCNc1cc(N2CC[NH+](CCOc3ccc(O)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000063490358 569615343 /nfs/dbraw/zinc/61/53/43/569615343.db2.gz DWSGTPPZGZLTND-UHFFFAOYSA-N 1 1 484.556 4.378 50 10 JICAMO C[N@@H+]1C[C@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000102771290 569823445 /nfs/dbraw/zinc/82/34/45/569823445.db2.gz BWWMAGDHQYXYRU-BTZRARBUSA-N 1 1 493.585 4.095 50 10 JICAMO C[N@H+]1C[C@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000102771290 569823447 /nfs/dbraw/zinc/82/34/47/569823447.db2.gz BWWMAGDHQYXYRU-BTZRARBUSA-N 1 1 493.585 4.095 50 10 JICAMO C[N@@H+]1C[C@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102771293 569823482 /nfs/dbraw/zinc/82/34/82/569823482.db2.gz BWWMAGDHQYXYRU-UKDVSSAZSA-N 1 1 493.585 4.095 50 10 JICAMO C[N@H+]1C[C@H](c2ccccc2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102771293 569823484 /nfs/dbraw/zinc/82/34/84/569823484.db2.gz BWWMAGDHQYXYRU-UKDVSSAZSA-N 1 1 493.585 4.095 50 10 JICAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@H](c1cccs1)[C@]21SC(=S)N(Cc2ccco2)C1=O ZINC000245325275 570064273 /nfs/dbraw/zinc/06/42/73/570064273.db2.gz DUBALWYGBWSREQ-GAZXMLTASA-N 1 1 495.651 4.041 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000020289440 555760545 /nfs/dbraw/zinc/76/05/45/555760545.db2.gz AXZPGDFBCOMVOG-KBMIEXCESA-N 1 1 495.645 4.456 50 10 JICAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O ZINC000011880227 555848328 /nfs/dbraw/zinc/84/83/28/555848328.db2.gz XEUPSPLTCCVSOP-QHCPKHFHSA-N 1 1 491.636 4.185 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914193 556177835 /nfs/dbraw/zinc/17/78/35/556177835.db2.gz UVTRWSOTCPLHMA-VWLOTQADSA-N 1 1 482.550 4.463 50 10 JICAMO CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017307358 556255093 /nfs/dbraw/zinc/25/50/93/556255093.db2.gz TVOKQSQTWYDGSR-MUUNZHRXSA-N 1 1 472.633 4.445 50 10 JICAMO C[N@@H+](C[C@H]1COCCO1)C1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000012571915 556073851 /nfs/dbraw/zinc/07/38/51/556073851.db2.gz WXHFFEBUNWFTMR-QHCPKHFHSA-N 1 1 477.527 4.274 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914427 556178610 /nfs/dbraw/zinc/17/86/10/556178610.db2.gz ADHQJMITGHDVFV-QFIPXVFZSA-N 1 1 497.437 4.401 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914617 556178984 /nfs/dbraw/zinc/17/89/84/556178984.db2.gz OFENACYUBRMUIX-AREMUKBSSA-N 1 1 464.560 4.324 50 10 JICAMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000017011169 556200764 /nfs/dbraw/zinc/20/07/64/556200764.db2.gz ONHOSZURUOXCIW-SANMLTNESA-N 1 1 467.610 4.278 50 10 JICAMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000017011169 556200768 /nfs/dbraw/zinc/20/07/68/556200768.db2.gz ONHOSZURUOXCIW-SANMLTNESA-N 1 1 467.610 4.278 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000057015872 569593962 /nfs/dbraw/zinc/59/39/62/569593962.db2.gz CDBIFHALWAKBEW-NIYFSFCBSA-N 1 1 495.645 4.456 50 10 JICAMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248153964 570075683 /nfs/dbraw/zinc/07/56/83/570075683.db2.gz HREGDWNIIVDENQ-JOCHJYFZSA-N 1 1 475.637 4.187 50 10 JICAMO CN1CCCc2cc(CN3C(=O)c4cccc(N5CC[NH+](Cc6cccs6)CC5)c4C3=O)ccc21 ZINC000064166976 195434210 /nfs/dbraw/zinc/43/42/10/195434210.db2.gz LSVHHRZEPOUBMI-UHFFFAOYSA-N 1 1 486.641 4.249 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914069 522248237 /nfs/dbraw/zinc/24/82/37/522248237.db2.gz BNNCPNBZWBFMKV-MHZLTWQESA-N 1 1 493.051 4.465 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)Cc3cccs3)CC2)cc1 ZINC000020289529 555760884 /nfs/dbraw/zinc/76/08/84/555760884.db2.gz WPWQNBYEUQNJRZ-UUOWRZLLSA-N 1 1 455.649 4.429 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3OC)CC2)cc1 ZINC000016891171 556172516 /nfs/dbraw/zinc/17/25/16/556172516.db2.gz FVLPPZFQZGZKMS-CLOONOSVSA-N 1 1 465.619 4.447 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3OC)CC2)cc1 ZINC000016891177 556172661 /nfs/dbraw/zinc/17/26/61/556172661.db2.gz FVLPPZFQZGZKMS-DFBJGRDBSA-N 1 1 465.619 4.447 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914406 556178206 /nfs/dbraw/zinc/17/82/06/556178206.db2.gz KLIBNWTVYKRREJ-HHHXNRCGSA-N 1 1 458.606 4.055 50 10 biogenic JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914518 556178536 /nfs/dbraw/zinc/17/85/36/556178536.db2.gz ZONZNHXLWAFPGU-AREMUKBSSA-N 1 1 464.560 4.324 50 10 JICAMO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016914546 556178637 /nfs/dbraw/zinc/17/86/37/556178637.db2.gz HSPUYELYGYRPIH-HHHXNRCGSA-N 1 1 458.606 4.055 50 10 JICAMO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016914541 556178744 /nfs/dbraw/zinc/17/87/44/556178744.db2.gz MNXNTECENQQHDS-MHZLTWQESA-N 1 1 476.596 4.194 50 10 JICAMO COc1ccc(N2CC[NH+](CCNC(=O)c3c4ccccc4nnc3-c3ccc(C)cc3)CC2)cc1 ZINC000032952951 556568285 /nfs/dbraw/zinc/56/82/85/556568285.db2.gz HVYAAWFVQNDTNL-UHFFFAOYSA-N 1 1 481.600 4.166 50 10 JICAMO COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560580 569704132 /nfs/dbraw/zinc/70/41/32/569704132.db2.gz XECPBRLXHOCQDH-MHZLTWQESA-N 1 1 459.590 4.056 50 10 JICAMO COC(=O)c1ccc(Nc2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000003741842 194359223 /nfs/dbraw/zinc/35/92/23/194359223.db2.gz VYTUWZXCVWYHCT-UHFFFAOYSA-N 1 1 468.513 4.321 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914064 556177892 /nfs/dbraw/zinc/17/78/92/556177892.db2.gz BNNCPNBZWBFMKV-HHHXNRCGSA-N 1 1 493.051 4.465 50 10 JICAMO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017136048 556223536 /nfs/dbraw/zinc/22/35/36/556223536.db2.gz BONOPBCYDXSLSX-MHZLTWQESA-N 1 1 472.633 4.120 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059822526 563209318 /nfs/dbraw/zinc/20/93/18/563209318.db2.gz AVJGFCHQWWGREE-CJAUYULYSA-N 1 1 479.602 4.167 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000057015868 569593922 /nfs/dbraw/zinc/59/39/22/569593922.db2.gz CDBIFHALWAKBEW-BCHFMIIMSA-N 1 1 495.645 4.456 50 10 JICAMO CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(C3=N[C@H](Nc4ccccc4Cl)[S-]=C3)OC2=O)C(=O)O1 ZINC000252427255 570080215 /nfs/dbraw/zinc/08/02/15/570080215.db2.gz YXZOHTUVKJCQJC-OBAATPRFSA-N 1 1 480.006 4.240 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914126 522248139 /nfs/dbraw/zinc/24/81/39/522248139.db2.gz NSDYFNCSYVLZGS-MHZLTWQESA-N 1 1 460.597 4.114 50 10 JICAMO O=S(=O)(Nc1cccc(N2CCC([N@@H+](CCO)Cc3ccccc3)CC2)c1)c1ccc(F)cc1 ZINC000012242671 527254195 /nfs/dbraw/zinc/25/41/95/527254195.db2.gz SRFVPQJJEYSMKL-UHFFFAOYSA-N 1 1 483.609 4.090 50 10 JICAMO Oc1cccc(C[NH+]2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1O ZINC000023326129 556041683 /nfs/dbraw/zinc/04/16/83/556041683.db2.gz XNUWPGOUCKWTNQ-SANMLTNESA-N 1 1 454.517 4.300 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914244 556178252 /nfs/dbraw/zinc/17/82/52/556178252.db2.gz NECQDSCACFRYEW-AREMUKBSSA-N 1 1 467.569 4.388 50 10 JICAMO COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000035560531 569704161 /nfs/dbraw/zinc/70/41/61/569704161.db2.gz WZAKSVQZMWASEQ-HHHXNRCGSA-N 1 1 459.590 4.299 50 10 JICAMO Oc1ccc2c(Cc3ccccc3F)noc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000041585041 526353354 /nfs/dbraw/zinc/35/33/54/526353354.db2.gz DWPOFSSTFRLYLK-UHFFFAOYSA-N 1 1 475.520 4.310 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665871 555941954 /nfs/dbraw/zinc/94/19/54/555941954.db2.gz XFRCPWXTVTWFNM-HHHXNRCGSA-N 1 1 494.586 4.089 50 10 JICAMO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023181646 556027978 /nfs/dbraw/zinc/02/79/78/556027978.db2.gz IRHQHBPEYDQURL-HRFSGMKKSA-N 1 1 479.646 4.376 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914121 556177935 /nfs/dbraw/zinc/17/79/35/556177935.db2.gz NSDYFNCSYVLZGS-HHHXNRCGSA-N 1 1 460.597 4.114 50 10 JICAMO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016914239 556178329 /nfs/dbraw/zinc/17/83/29/556178329.db2.gz BXULFDZPQIZTMC-NDEPHWFRSA-N 1 1 488.632 4.063 50 10 JICAMO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017040919 556207698 /nfs/dbraw/zinc/20/76/98/556207698.db2.gz FXWFAWYPYOKCNG-HHHXNRCGSA-N 1 1 460.597 4.493 50 10 JICAMO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248153967 570075672 /nfs/dbraw/zinc/07/56/72/570075672.db2.gz HREGDWNIIVDENQ-QFIPXVFZSA-N 1 1 475.637 4.187 50 10 JICAMO Oc1ccc2c(-c3ccc(F)cc3)noc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000041585043 526353567 /nfs/dbraw/zinc/35/35/67/526353567.db2.gz ZFLABHJIGFETPC-UHFFFAOYSA-N 1 1 461.493 4.386 50 10 JICAMO C[NH+]1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457246 554222124 /nfs/dbraw/zinc/22/21/24/554222124.db2.gz MBPKKVLNHBPZPB-UHFFFAOYSA-N 1 1 454.486 4.263 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665876 555941966 /nfs/dbraw/zinc/94/19/66/555941966.db2.gz XFRCPWXTVTWFNM-MHZLTWQESA-N 1 1 494.586 4.089 50 10 JICAMO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022666401 555942223 /nfs/dbraw/zinc/94/22/23/555942223.db2.gz HPQFTWCGMRQCJW-MHZLTWQESA-N 1 1 463.647 4.393 50 10 JICAMO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022666401 555942225 /nfs/dbraw/zinc/94/22/25/555942225.db2.gz HPQFTWCGMRQCJW-MHZLTWQESA-N 1 1 463.647 4.393 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914117 556177812 /nfs/dbraw/zinc/17/78/12/556177812.db2.gz FKFDAGRZIWMFMN-MHZLTWQESA-N 1 1 478.587 4.253 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914397 556178323 /nfs/dbraw/zinc/17/83/23/556178323.db2.gz HTTLXNJOQVBXNC-HHHXNRCGSA-N 1 1 476.596 4.194 50 10 JICAMO COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016914645 556179050 /nfs/dbraw/zinc/17/90/50/556179050.db2.gz PZOLZPZKPROQSC-AREMUKBSSA-N 1 1 458.606 4.055 50 10 JICAMO COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016914641 556179112 /nfs/dbraw/zinc/17/91/12/556179112.db2.gz UQZWLTTXWMZISN-SANMLTNESA-N 1 1 476.596 4.194 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022665160 555941526 /nfs/dbraw/zinc/94/15/26/555941526.db2.gz HVVXXHZVXLOCAS-RUZDIDTESA-N 1 1 488.632 4.063 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000016891168 556172616 /nfs/dbraw/zinc/17/26/16/556172616.db2.gz VHLNMSMXCYKFCV-UQBPGWFLSA-N 1 1 465.619 4.447 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914424 556178759 /nfs/dbraw/zinc/17/87/59/556178759.db2.gz ADHQJMITGHDVFV-JOCHJYFZSA-N 1 1 497.437 4.401 50 10 JICAMO Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000017135848 556223227 /nfs/dbraw/zinc/22/32/27/556223227.db2.gz JSUAMAIPVNBXJZ-MHZLTWQESA-N 1 1 460.597 4.493 50 10 JICAMO CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017315825 556257742 /nfs/dbraw/zinc/25/77/42/556257742.db2.gz AVFSQERKZFQWOQ-HHHXNRCGSA-N 1 1 472.633 4.445 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)COc3ccccc3)CC2)cc1 ZINC000023181630 524432889 /nfs/dbraw/zinc/43/28/89/524432889.db2.gz ILGIJHUFEMMMNW-RXFWQSSRSA-N 1 1 465.619 4.204 50 10 JICAMO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc(N2CCOCC2)cc1 ZINC000009471137 555254625 /nfs/dbraw/zinc/25/46/25/555254625.db2.gz BPRIWOFRMFYIOU-UHFFFAOYSA-N 1 1 451.567 4.025 50 10 JICAMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc(N2CCOCC2)cc1 ZINC000009471137 555254628 /nfs/dbraw/zinc/25/46/28/555254628.db2.gz BPRIWOFRMFYIOU-UHFFFAOYSA-N 1 1 451.567 4.025 50 10 JICAMO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022666396 555942177 /nfs/dbraw/zinc/94/21/77/555942177.db2.gz HPQFTWCGMRQCJW-HHHXNRCGSA-N 1 1 463.647 4.393 50 10 JICAMO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022666396 555942179 /nfs/dbraw/zinc/94/21/79/555942179.db2.gz HPQFTWCGMRQCJW-HHHXNRCGSA-N 1 1 463.647 4.393 50 10 JICAMO COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914144 556177882 /nfs/dbraw/zinc/17/78/82/556177882.db2.gz XYEYGNBFZMQXKT-NDEPHWFRSA-N 1 1 490.623 4.123 50 10 JICAMO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000017136045 556223522 /nfs/dbraw/zinc/22/35/22/556223522.db2.gz ZPJDFFWRASLHIK-HHHXNRCGSA-N 1 1 490.623 4.259 50 10 JICAMO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000017136046 556223527 /nfs/dbraw/zinc/22/35/27/556223527.db2.gz ZPJDFFWRASLHIK-MHZLTWQESA-N 1 1 490.623 4.259 50 10 JICAMO C[N@@H+](C[C@@H]1COCCO1)C1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000012571909 556073817 /nfs/dbraw/zinc/07/38/17/556073817.db2.gz WXHFFEBUNWFTMR-HSZRJFAPSA-N 1 1 477.527 4.274 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059822531 563209272 /nfs/dbraw/zinc/20/92/72/563209272.db2.gz AVJGFCHQWWGREE-AVRWGWEMSA-N 1 1 479.602 4.167 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000057015867 569593892 /nfs/dbraw/zinc/59/38/92/569593892.db2.gz CDBIFHALWAKBEW-SIBVEZHUSA-N 1 1 495.645 4.456 50 10 JICAMO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000035560534 569704136 /nfs/dbraw/zinc/70/41/36/569704136.db2.gz WZAKSVQZMWASEQ-MHZLTWQESA-N 1 1 459.590 4.299 50 10 JICAMO C[N@@H+]1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035851744 569716607 /nfs/dbraw/zinc/71/66/07/569716607.db2.gz BWWMAGDHQYXYRU-NGXZDTIWSA-N 1 1 493.585 4.095 50 10 JICAMO C[N@H+]1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035851744 569716608 /nfs/dbraw/zinc/71/66/08/569716608.db2.gz BWWMAGDHQYXYRU-NGXZDTIWSA-N 1 1 493.585 4.095 50 10 JICAMO Cc1c2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2oc(=O)c1-c1ccccc1 ZINC000217537793 569880248 /nfs/dbraw/zinc/88/02/48/569880248.db2.gz DWWWCPBCEMNQEB-AZUAARDMSA-N 1 1 454.526 4.255 50 10 JICAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c23)cc1 ZINC000225418290 569995882 /nfs/dbraw/zinc/99/58/82/569995882.db2.gz MRKJLCHNYSLWDS-MJGOQNOKSA-N 1 1 470.525 4.159 50 10 biogenic JICAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c23)cc1 ZINC000225418290 569995883 /nfs/dbraw/zinc/99/58/83/569995883.db2.gz MRKJLCHNYSLWDS-MJGOQNOKSA-N 1 1 470.525 4.159 50 10 biogenic JICAMO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000022635631 519690643 /nfs/dbraw/zinc/69/06/43/519690643.db2.gz ANUZWMFKYZYRRF-INIZCTEOSA-N 1 1 456.793 4.490 50 10 JICAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000022635631 519690645 /nfs/dbraw/zinc/69/06/45/519690645.db2.gz ANUZWMFKYZYRRF-INIZCTEOSA-N 1 1 456.793 4.490 50 10 JICAMO CCOc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c1O ZINC000008928022 554825671 /nfs/dbraw/zinc/82/56/71/554825671.db2.gz ITGNOEWLAFAIOO-KRWDZBQOSA-N 1 1 452.374 4.422 50 10 JICAMO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000022665502 555941841 /nfs/dbraw/zinc/94/18/41/555941841.db2.gz JTVKEDZHEPTGAJ-NDEPHWFRSA-N 1 1 472.633 4.120 50 10 JICAMO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023181641 556027891 /nfs/dbraw/zinc/02/78/91/556027891.db2.gz IRHQHBPEYDQURL-DCFHFQCYSA-N 1 1 479.646 4.376 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)COc3ccccc3)CC2)cc1 ZINC000023181623 556028110 /nfs/dbraw/zinc/02/81/10/556028110.db2.gz ILGIJHUFEMMMNW-FQRUVTKNSA-N 1 1 465.619 4.204 50 10 JICAMO Oc1cccc(C[NH+]2CCN(CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1O ZINC000023326133 556041743 /nfs/dbraw/zinc/04/17/43/556041743.db2.gz XNUWPGOUCKWTNQ-AREMUKBSSA-N 1 1 454.517 4.300 50 10 JICAMO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017040922 556207761 /nfs/dbraw/zinc/20/77/61/556207761.db2.gz FXWFAWYPYOKCNG-MHZLTWQESA-N 1 1 460.597 4.493 50 10 JICAMO CCOc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017307595 556255333 /nfs/dbraw/zinc/25/53/33/556255333.db2.gz PGIGJBAYMCSNCI-GDLZYMKVSA-N 1 1 486.660 4.374 50 10 JICAMO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017315826 556257704 /nfs/dbraw/zinc/25/77/04/556257704.db2.gz AVFSQERKZFQWOQ-MHZLTWQESA-N 1 1 472.633 4.445 50 10 JICAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000057015865 569593936 /nfs/dbraw/zinc/59/39/36/569593936.db2.gz QGDJDJHPIKVYOH-KBMIEXCESA-N 1 1 465.619 4.447 50 10 JICAMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(N(C)C)cc4)CC3)nc2)c1 ZINC000034681790 569643633 /nfs/dbraw/zinc/64/36/33/569643633.db2.gz FGDPPAJHLKJOPD-UHFFFAOYSA-N 1 1 459.594 4.121 50 10 JICAMO COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)cc1 ZINC000248146630 570075309 /nfs/dbraw/zinc/07/53/09/570075309.db2.gz FAWYQMYCOZEQMB-UHFFFAOYSA-N 1 1 475.637 4.187 50 10 JICAMO COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016914637 556179104 /nfs/dbraw/zinc/17/91/04/556179104.db2.gz UQZWLTTXWMZISN-AREMUKBSSA-N 1 1 476.596 4.194 50 10 JICAMO COc1ccc(N2CC[NH+](CCNC(=O)c3oc(=O)c4ccccc4c3-c3ccc(C)cc3)CC2)cc1 ZINC000063737037 569616032 /nfs/dbraw/zinc/61/60/32/569616032.db2.gz NVYQQDIIUOWCMH-UHFFFAOYSA-N 1 1 497.595 4.329 50 10 JICAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccc(N(C)C)cc4)CC3)n2)cc1Cl ZINC000034678308 569642303 /nfs/dbraw/zinc/64/23/03/569642303.db2.gz UPDXBNOPLAYADC-UHFFFAOYSA-N 1 1 468.001 4.273 50 10 JICAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@H](c1cccs1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000034828948 569662989 /nfs/dbraw/zinc/66/29/89/569662989.db2.gz DUBALWYGBWSREQ-CQLNOVPUSA-N 1 1 495.651 4.041 50 10 JICAMO COc1ccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)cc1OC ZINC000020714279 195206057 /nfs/dbraw/zinc/20/60/57/195206057.db2.gz VVYUIFPJDMHHCR-RUZDIDTESA-N 1 1 461.514 4.399 50 10 JICAMO COc1ccc(O)c(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 ZINC000014888586 524748172 /nfs/dbraw/zinc/74/81/72/524748172.db2.gz PPKULHRNQJSJSE-DEOSSOPVSA-N 1 1 491.636 4.185 50 10 JICAMO CCOc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c1O ZINC000008928024 554825689 /nfs/dbraw/zinc/82/56/89/554825689.db2.gz ITGNOEWLAFAIOO-QGZVFWFLSA-N 1 1 452.374 4.422 50 10 JICAMO CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)CC3)c2C)c1 ZINC000009805963 555518616 /nfs/dbraw/zinc/51/86/16/555518616.db2.gz XRHAYNYQQOYMQO-UHFFFAOYSA-N 1 1 454.567 4.362 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914382 556178285 /nfs/dbraw/zinc/17/82/85/556178285.db2.gz XCULJOYQGGIYDL-SANMLTNESA-N 1 1 464.560 4.324 50 10 JICAMO COc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000025514262 556218820 /nfs/dbraw/zinc/21/88/20/556218820.db2.gz ZFUSJNZPDOANGH-LMSSTIIKSA-N 1 1 485.584 4.292 50 10 JICAMO COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCC[N@H+]5CCCC[C@H]5C)cc43)CC2)cc1 ZINC000065002092 524439333 /nfs/dbraw/zinc/43/93/33/524439333.db2.gz NUHZXHPBALISQF-JOCHJYFZSA-N 1 1 487.648 4.174 50 10 JICAMO Cc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022665843 555941959 /nfs/dbraw/zinc/94/19/59/555941959.db2.gz KTLCGWFDTKPEFL-MUUNZHRXSA-N 1 1 490.623 4.259 50 10 JICAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023383385 556050556 /nfs/dbraw/zinc/05/05/56/556050556.db2.gz PSOMTAJUCWKBSJ-UHFFFAOYSA-N 1 1 480.508 4.079 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000016914292 556178209 /nfs/dbraw/zinc/17/82/09/556178209.db2.gz WXAXMMFBKNOAIO-RUZDIDTESA-N 1 1 459.590 4.299 50 10 JICAMO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1OC ZINC000016914559 556178629 /nfs/dbraw/zinc/17/86/29/556178629.db2.gz QKRQAIKWCKUMPW-SANMLTNESA-N 1 1 488.632 4.063 50 10 JICAMO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016914536 556178644 /nfs/dbraw/zinc/17/86/44/556178644.db2.gz MNXNTECENQQHDS-HHHXNRCGSA-N 1 1 476.596 4.194 50 10 JICAMO CCOC(=O)CCc1c(C)c2ccc([O-])c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2oc1=O ZINC000057151390 569594596 /nfs/dbraw/zinc/59/45/96/569594596.db2.gz LVFLVYFQLLMHLS-UHFFFAOYSA-N 1 1 478.589 4.057 50 10 JICAMO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1O ZINC000034836451 569665701 /nfs/dbraw/zinc/66/57/01/569665701.db2.gz FXSRREHOQHLQLS-UHFFFAOYSA-N 1 1 451.590 4.189 50 10 JICAMO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035560572 569704156 /nfs/dbraw/zinc/70/41/56/569704156.db2.gz FYNRVUZZWWMVPS-VWLOTQADSA-N 1 1 459.590 4.056 50 10 JICAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036653801 569779756 /nfs/dbraw/zinc/77/97/56/569779756.db2.gz ODDUOGPLKSBGCA-MHZLTWQESA-N 1 1 479.646 4.229 50 10 JICAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036653801 569779757 /nfs/dbraw/zinc/77/97/57/569779757.db2.gz ODDUOGPLKSBGCA-MHZLTWQESA-N 1 1 479.646 4.229 50 10 JICAMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058441934 195380037 /nfs/dbraw/zinc/38/00/37/195380037.db2.gz QCWCCPSHMJPXJB-UHFFFAOYSA-N 1 1 460.962 4.324 50 10 JICAMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058441934 195380040 /nfs/dbraw/zinc/38/00/40/195380040.db2.gz QCWCCPSHMJPXJB-UHFFFAOYSA-N 1 1 460.962 4.324 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3cccs3)CC2)cc1 ZINC000020289532 555760956 /nfs/dbraw/zinc/76/09/56/555760956.db2.gz WPWQNBYEUQNJRZ-MHECFPHRSA-N 1 1 455.649 4.429 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022665165 555941504 /nfs/dbraw/zinc/94/15/04/555941504.db2.gz HVVXXHZVXLOCAS-VWLOTQADSA-N 1 1 488.632 4.063 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000022665431 555941550 /nfs/dbraw/zinc/94/15/50/555941550.db2.gz ZAIMRGRDAXTPJF-HHHXNRCGSA-N 1 1 488.632 4.063 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914004 556177523 /nfs/dbraw/zinc/17/75/23/556177523.db2.gz UWOKTLDVOKDLGY-AREMUKBSSA-N 1 1 452.618 4.452 50 10 JICAMO COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914030 556177553 /nfs/dbraw/zinc/17/75/53/556177553.db2.gz ZDJLJPNOYDZFFX-LJAQVGFWSA-N 1 1 486.660 4.374 50 10 JICAMO COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914139 556177925 /nfs/dbraw/zinc/17/79/25/556177925.db2.gz XYEYGNBFZMQXKT-MUUNZHRXSA-N 1 1 490.623 4.123 50 10 JICAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000017011297 556201106 /nfs/dbraw/zinc/20/11/06/556201106.db2.gz KWVOZGLXDYZZCE-AREMUKBSSA-N 1 1 479.646 4.148 50 10 JICAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000017011297 556201108 /nfs/dbraw/zinc/20/11/08/556201108.db2.gz KWVOZGLXDYZZCE-AREMUKBSSA-N 1 1 479.646 4.148 50 10 JICAMO CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017307598 556255284 /nfs/dbraw/zinc/25/52/84/556255284.db2.gz PGIGJBAYMCSNCI-LJAQVGFWSA-N 1 1 486.660 4.374 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000057015870 569593950 /nfs/dbraw/zinc/59/39/50/569593950.db2.gz CDBIFHALWAKBEW-AFMDSPMNSA-N 1 1 495.645 4.456 50 10 JICAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O ZINC000011880226 555848289 /nfs/dbraw/zinc/84/82/89/555848289.db2.gz XEUPSPLTCCVSOP-HSZRJFAPSA-N 1 1 491.636 4.185 50 10 JICAMO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000022926528 555977815 /nfs/dbraw/zinc/97/78/15/555977815.db2.gz APTCZXVIDHDYOQ-UHFFFAOYSA-N 1 1 489.575 4.372 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000016914297 556178243 /nfs/dbraw/zinc/17/82/43/556178243.db2.gz WXAXMMFBKNOAIO-VWLOTQADSA-N 1 1 459.590 4.299 50 10 JICAMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000017026513 556206122 /nfs/dbraw/zinc/20/61/22/556206122.db2.gz KXVCWTHJXRKYGB-SANMLTNESA-N 1 1 463.647 4.447 50 10 JICAMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000017026513 556206127 /nfs/dbraw/zinc/20/61/27/556206127.db2.gz KXVCWTHJXRKYGB-SANMLTNESA-N 1 1 463.647 4.447 50 10 JICAMO Cc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000017122834 556219897 /nfs/dbraw/zinc/21/98/97/556219897.db2.gz NLUJOQFAKJSWON-MUUNZHRXSA-N 1 1 456.634 4.283 50 10 JICAMO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000022635638 519690584 /nfs/dbraw/zinc/69/05/84/519690584.db2.gz ANUZWMFKYZYRRF-MRXNPFEDSA-N 1 1 456.793 4.490 50 10 JICAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1 ZINC000022635638 519690587 /nfs/dbraw/zinc/69/05/87/519690587.db2.gz ANUZWMFKYZYRRF-MRXNPFEDSA-N 1 1 456.793 4.490 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000020289447 555760532 /nfs/dbraw/zinc/76/05/32/555760532.db2.gz AXZPGDFBCOMVOG-UQBPGWFLSA-N 1 1 495.645 4.456 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000016914216 556177805 /nfs/dbraw/zinc/17/78/05/556177805.db2.gz YDKDRCLRDFXRKM-XMMPIXPASA-N 1 1 459.590 4.299 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000016914216 556177806 /nfs/dbraw/zinc/17/78/06/556177806.db2.gz YDKDRCLRDFXRKM-XMMPIXPASA-N 1 1 459.590 4.299 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914051 556177862 /nfs/dbraw/zinc/17/78/62/556177862.db2.gz KMNOASXFBFLFKV-NDEPHWFRSA-N 1 1 456.634 4.365 50 10 JICAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914759 556178948 /nfs/dbraw/zinc/17/89/48/556178948.db2.gz FEVSJROCGOJWCR-RUZDIDTESA-N 1 1 470.038 4.484 50 10 JICAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914759 556178950 /nfs/dbraw/zinc/17/89/50/556178950.db2.gz FEVSJROCGOJWCR-RUZDIDTESA-N 1 1 470.038 4.484 50 10 JICAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000057015862 569593983 /nfs/dbraw/zinc/59/39/83/569593983.db2.gz QGDJDJHPIKVYOH-CLOONOSVSA-N 1 1 465.619 4.447 50 10 JICAMO COc1ccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCOCC2)cc1OC ZINC000020714282 195205794 /nfs/dbraw/zinc/20/57/94/195205794.db2.gz VVYUIFPJDMHHCR-VWLOTQADSA-N 1 1 461.514 4.399 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3cccs3)CC2)cc1 ZINC000020289526 555760823 /nfs/dbraw/zinc/76/08/23/555760823.db2.gz WPWQNBYEUQNJRZ-HOYKHHGWSA-N 1 1 455.649 4.429 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000016891165 556172549 /nfs/dbraw/zinc/17/25/49/556172549.db2.gz VHLNMSMXCYKFCV-DFBJGRDBSA-N 1 1 465.619 4.447 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914008 556177489 /nfs/dbraw/zinc/17/74/89/556177489.db2.gz UWOKTLDVOKDLGY-SANMLTNESA-N 1 1 452.618 4.452 50 10 JICAMO COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914026 556177580 /nfs/dbraw/zinc/17/75/80/556177580.db2.gz ZDJLJPNOYDZFFX-GDLZYMKVSA-N 1 1 486.660 4.374 50 10 JICAMO COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000016914226 556178225 /nfs/dbraw/zinc/17/82/25/556178225.db2.gz PPQRLEPRCABVMO-RUZDIDTESA-N 1 1 489.616 4.308 50 10 JICAMO COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016914234 556178274 /nfs/dbraw/zinc/17/82/74/556178274.db2.gz BXULFDZPQIZTMC-MUUNZHRXSA-N 1 1 488.632 4.063 50 10 JICAMO CN(C)c1ccc(C[N@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C2CC2)cc1 ZINC000040153718 569820596 /nfs/dbraw/zinc/82/05/96/569820596.db2.gz WVCPBTFWMWKIDI-OAQYLSRUSA-N 1 1 460.500 4.023 50 10 JICAMO CN(C)c1ccc(C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C2CC2)cc1 ZINC000040153718 569820597 /nfs/dbraw/zinc/82/05/97/569820597.db2.gz WVCPBTFWMWKIDI-OAQYLSRUSA-N 1 1 460.500 4.023 50 10 JICAMO CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(C3=N[C@@H](Nc4ccccc4Cl)[S-]=C3)OC2=O)C(=O)O1 ZINC000252427253 570080198 /nfs/dbraw/zinc/08/01/98/570080198.db2.gz YXZOHTUVKJCQJC-ABDYDURRSA-N 1 1 480.006 4.240 50 10 JICAMO COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc[nH+]cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000009009310 524383966 /nfs/dbraw/zinc/38/39/66/524383966.db2.gz BKMYLLYLROZSPT-XDHOZWIPSA-N 1 1 462.531 4.178 50 10 JICAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)cc1 ZINC000033058221 524422800 /nfs/dbraw/zinc/42/28/00/524422800.db2.gz SUYAYNMIZWLLNS-UHFFFAOYSA-N 1 1 474.536 4.195 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3OC)CC2)cc1 ZINC000016891180 556172534 /nfs/dbraw/zinc/17/25/34/556172534.db2.gz FVLPPZFQZGZKMS-UQBPGWFLSA-N 1 1 465.619 4.447 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000016914282 556178373 /nfs/dbraw/zinc/17/83/73/556178373.db2.gz RHUPWRVXZWNUGD-AREMUKBSSA-N 1 1 488.632 4.063 50 10 JICAMO Cc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000017122839 556219913 /nfs/dbraw/zinc/21/99/13/556219913.db2.gz NLUJOQFAKJSWON-NDEPHWFRSA-N 1 1 456.634 4.283 50 10 JICAMO COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCC[N@H+]5CCCC[C@@H]5C)cc43)CC2)cc1 ZINC000065002095 524438385 /nfs/dbraw/zinc/43/83/85/524438385.db2.gz NUHZXHPBALISQF-QFIPXVFZSA-N 1 1 487.648 4.174 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000020289436 555760570 /nfs/dbraw/zinc/76/05/70/555760570.db2.gz AXZPGDFBCOMVOG-CLOONOSVSA-N 1 1 495.645 4.456 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000022665436 555941432 /nfs/dbraw/zinc/94/14/32/555941432.db2.gz ZAIMRGRDAXTPJF-MHZLTWQESA-N 1 1 488.632 4.063 50 10 JICAMO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023181634 556028007 /nfs/dbraw/zinc/02/80/07/556028007.db2.gz IRHQHBPEYDQURL-CCLHPLFOSA-N 1 1 479.646 4.376 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914254 556178377 /nfs/dbraw/zinc/17/83/77/556178377.db2.gz MPQWGOGIOYQTOG-AREMUKBSSA-N 1 1 482.550 4.463 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914622 556179029 /nfs/dbraw/zinc/17/90/29/556179029.db2.gz OFENACYUBRMUIX-SANMLTNESA-N 1 1 464.560 4.324 50 10 JICAMO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000017011166 556200776 /nfs/dbraw/zinc/20/07/76/556200776.db2.gz ONHOSZURUOXCIW-AREMUKBSSA-N 1 1 467.610 4.278 50 10 JICAMO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000017011166 556200780 /nfs/dbraw/zinc/20/07/80/556200780.db2.gz ONHOSZURUOXCIW-AREMUKBSSA-N 1 1 467.610 4.278 50 10 JICAMO COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc[nH+]cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000018211122 556311206 /nfs/dbraw/zinc/31/12/06/556311206.db2.gz BKMYLLYLROZSPT-UNOMPAQXSA-N 1 1 462.531 4.178 50 10 JICAMO O=C1c2cccc(N3CC[NH+](Cc4cc(Cl)ccc4O)CC3)c2C(=O)N1Cc1ccccc1F ZINC000059314293 195397484 /nfs/dbraw/zinc/39/74/84/195397484.db2.gz VALRPWALTUFKDO-UHFFFAOYSA-N 1 1 479.939 4.303 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022419182 522242393 /nfs/dbraw/zinc/24/23/93/522242393.db2.gz DFVGAKRLKODCHQ-XMMPIXPASA-N 1 1 458.562 4.402 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665867 555941791 /nfs/dbraw/zinc/94/17/91/555941791.db2.gz PINCMZCKMAEZSF-SANMLTNESA-N 1 1 494.586 4.089 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914268 556178270 /nfs/dbraw/zinc/17/82/70/556178270.db2.gz UXDHUOCCDDCIIF-SANMLTNESA-N 1 1 464.560 4.324 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914250 556178367 /nfs/dbraw/zinc/17/83/67/556178367.db2.gz NECQDSCACFRYEW-SANMLTNESA-N 1 1 467.569 4.388 50 10 JICAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914682 556179095 /nfs/dbraw/zinc/17/90/95/556179095.db2.gz MGIOHMACCBEECV-HHHXNRCGSA-N 1 1 463.647 4.014 50 10 JICAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914682 556179096 /nfs/dbraw/zinc/17/90/96/556179096.db2.gz MGIOHMACCBEECV-HHHXNRCGSA-N 1 1 463.647 4.014 50 10 JICAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@@H](c1cccs1)[C@@]21SC(=S)N(Cc2ccco2)C1=O ZINC000034828949 569662970 /nfs/dbraw/zinc/66/29/70/569662970.db2.gz DUBALWYGBWSREQ-DPSWKAHMSA-N 1 1 495.651 4.041 50 10 JICAMO O=C(Nc1ccc2nccnc2c1)[C@@H]1C[C@@H](Sc2ccccn2)C[N@@H+]1Cc1ccccc1O ZINC000014975123 527301873 /nfs/dbraw/zinc/30/18/73/527301873.db2.gz UXCWPMIZWKKXCA-KNQAVFIVSA-N 1 1 457.559 4.104 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000016914419 556178599 /nfs/dbraw/zinc/17/85/99/556178599.db2.gz MVTYODTZSOZUFP-SANMLTNESA-N 1 1 459.590 4.299 50 10 JICAMO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000017026511 556206063 /nfs/dbraw/zinc/20/60/63/556206063.db2.gz KXVCWTHJXRKYGB-AREMUKBSSA-N 1 1 463.647 4.447 50 10 JICAMO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1 ZINC000017026511 556206066 /nfs/dbraw/zinc/20/60/66/556206066.db2.gz KXVCWTHJXRKYGB-AREMUKBSSA-N 1 1 463.647 4.447 50 10 JICAMO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000017136047 556223503 /nfs/dbraw/zinc/22/35/03/556223503.db2.gz BONOPBCYDXSLSX-HHHXNRCGSA-N 1 1 472.633 4.120 50 10 JICAMO CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017307361 556255160 /nfs/dbraw/zinc/25/51/60/556255160.db2.gz TVOKQSQTWYDGSR-NDEPHWFRSA-N 1 1 472.633 4.445 50 10 JICAMO CCCCCOC[C@@H]1C[C@]2(C[C@](C)(C3=N[C@H](Nc4ccccc4Cl)[S-]=C3)OC2=O)C(=O)O1 ZINC000252427254 570080254 /nfs/dbraw/zinc/08/02/54/570080254.db2.gz YXZOHTUVKJCQJC-FDMHNHSTSA-N 1 1 480.006 4.240 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665862 555941894 /nfs/dbraw/zinc/94/18/94/555941894.db2.gz PINCMZCKMAEZSF-AREMUKBSSA-N 1 1 494.586 4.089 50 10 JICAMO O=C(c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012377235 555965773 /nfs/dbraw/zinc/96/57/73/555965773.db2.gz HRDGLMONWUZRSQ-UHFFFAOYSA-N 1 1 499.567 4.097 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000016891162 556172476 /nfs/dbraw/zinc/17/24/76/556172476.db2.gz VHLNMSMXCYKFCV-KBMIEXCESA-N 1 1 465.619 4.447 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914378 556178350 /nfs/dbraw/zinc/17/83/50/556178350.db2.gz XCULJOYQGGIYDL-AREMUKBSSA-N 1 1 464.560 4.324 50 10 JICAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000057015863 569593996 /nfs/dbraw/zinc/59/39/96/569593996.db2.gz QGDJDJHPIKVYOH-UQBPGWFLSA-N 1 1 465.619 4.447 50 10 JICAMO CCOC(=O)c1c(COc2ccncc2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393677 569710120 /nfs/dbraw/zinc/71/01/20/569710120.db2.gz VWDOFUMTIDQHIG-UHFFFAOYSA-N 1 1 460.534 4.158 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3cccs3)CC2)cc1 ZINC000020289524 555760943 /nfs/dbraw/zinc/76/09/43/555760943.db2.gz WPWQNBYEUQNJRZ-KOSHJBKYSA-N 1 1 455.649 4.429 50 10 JICAMO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022665849 555941975 /nfs/dbraw/zinc/94/19/75/555941975.db2.gz KTLCGWFDTKPEFL-NDEPHWFRSA-N 1 1 490.623 4.259 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000016914221 556177808 /nfs/dbraw/zinc/17/78/08/556177808.db2.gz YDKDRCLRDFXRKM-DEOSSOPVSA-N 1 1 459.590 4.299 50 10 JICAMO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000016914221 556177809 /nfs/dbraw/zinc/17/78/09/556177809.db2.gz YDKDRCLRDFXRKM-DEOSSOPVSA-N 1 1 459.590 4.299 50 10 JICAMO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914411 556178517 /nfs/dbraw/zinc/17/85/17/556178517.db2.gz KLIBNWTVYKRREJ-MHZLTWQESA-N 1 1 458.606 4.055 50 10 biogenic JICAMO COc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000025514273 556218630 /nfs/dbraw/zinc/21/86/30/556218630.db2.gz ZFUSJNZPDOANGH-PXJZQJOASA-N 1 1 485.584 4.292 50 10 JICAMO Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000017135847 556223187 /nfs/dbraw/zinc/22/31/87/556223187.db2.gz JSUAMAIPVNBXJZ-HHHXNRCGSA-N 1 1 460.597 4.493 50 10 JICAMO COc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000002655085 554271180 /nfs/dbraw/zinc/27/11/80/554271180.db2.gz ZFUSJNZPDOANGH-YTMVLYRLSA-N 1 1 485.584 4.292 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3OC)CC2)cc1 ZINC000016891174 556172577 /nfs/dbraw/zinc/17/25/77/556172577.db2.gz FVLPPZFQZGZKMS-KBMIEXCESA-N 1 1 465.619 4.447 50 10 JICAMO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016914551 556178768 /nfs/dbraw/zinc/17/87/68/556178768.db2.gz HSPUYELYGYRPIH-MHZLTWQESA-N 1 1 458.606 4.055 50 10 JICAMO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914764 556178971 /nfs/dbraw/zinc/17/89/71/556178971.db2.gz FEVSJROCGOJWCR-VWLOTQADSA-N 1 1 470.038 4.484 50 10 JICAMO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914764 556178974 /nfs/dbraw/zinc/17/89/74/556178974.db2.gz FEVSJROCGOJWCR-VWLOTQADSA-N 1 1 470.038 4.484 50 10 JICAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000017011418 556201012 /nfs/dbraw/zinc/20/10/12/556201012.db2.gz KZKQRZLIUYFBKH-VWLOTQADSA-N 1 1 467.610 4.278 50 10 JICAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000017011418 556201016 /nfs/dbraw/zinc/20/10/16/556201016.db2.gz KZKQRZLIUYFBKH-VWLOTQADSA-N 1 1 467.610 4.278 50 10 JICAMO Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017042925 556209814 /nfs/dbraw/zinc/20/98/14/556209814.db2.gz TYHSADFXTJQPQG-MUUNZHRXSA-N 1 1 490.623 4.259 50 10 JICAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036653803 569779737 /nfs/dbraw/zinc/77/97/37/569779737.db2.gz ODDUOGPLKSBGCA-HHHXNRCGSA-N 1 1 479.646 4.229 50 10 JICAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036653803 569779738 /nfs/dbraw/zinc/77/97/38/569779738.db2.gz ODDUOGPLKSBGCA-HHHXNRCGSA-N 1 1 479.646 4.229 50 10 JICAMO Cc1cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000058160802 195368874 /nfs/dbraw/zinc/36/88/74/195368874.db2.gz POFZSZQKFIYJTF-UHFFFAOYSA-N 1 1 459.546 4.356 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022419185 522248495 /nfs/dbraw/zinc/24/84/95/522248495.db2.gz DFVGAKRLKODCHQ-DEOSSOPVSA-N 1 1 458.562 4.402 50 10 JICAMO COc1ccc(O)c(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 ZINC000014888584 524744787 /nfs/dbraw/zinc/74/47/87/524744787.db2.gz PPKULHRNQJSJSE-XMMPIXPASA-N 1 1 491.636 4.185 50 10 JICAMO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000023181638 556028035 /nfs/dbraw/zinc/02/80/35/556028035.db2.gz IRHQHBPEYDQURL-NFQMXDRXSA-N 1 1 479.646 4.376 50 10 JICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(C)c2O)N3)C1 ZINC000015947299 556085132 /nfs/dbraw/zinc/08/51/32/556085132.db2.gz KNVKZDZORHIUPX-MRXNPFEDSA-N 1 1 469.348 4.174 50 10 JICAMO COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000015947394 556085241 /nfs/dbraw/zinc/08/52/41/556085241.db2.gz NFUYXHQXIAYJHW-KRWDZBQOSA-N 1 1 452.374 4.420 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000016891159 556172652 /nfs/dbraw/zinc/17/26/52/556172652.db2.gz VHLNMSMXCYKFCV-CLOONOSVSA-N 1 1 465.619 4.447 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914264 556178215 /nfs/dbraw/zinc/17/82/15/556178215.db2.gz UXDHUOCCDDCIIF-AREMUKBSSA-N 1 1 464.560 4.324 50 10 JICAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000017053087 556213559 /nfs/dbraw/zinc/21/35/59/556213559.db2.gz ZYWWFKDLFVTDEL-MHZLTWQESA-N 1 1 463.647 4.447 50 10 JICAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000017053087 556213566 /nfs/dbraw/zinc/21/35/66/556213566.db2.gz ZYWWFKDLFVTDEL-MHZLTWQESA-N 1 1 463.647 4.447 50 10 JICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000059822534 563209322 /nfs/dbraw/zinc/20/93/22/563209322.db2.gz AVJGFCHQWWGREE-IQGLISFBSA-N 1 1 479.602 4.167 50 10 JICAMO COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035560569 569704141 /nfs/dbraw/zinc/70/41/41/569704141.db2.gz FYNRVUZZWWMVPS-RUZDIDTESA-N 1 1 459.590 4.056 50 10 JICAMO O=C(c1coc2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12)c1ccc(F)cc1 ZINC000253414113 570098481 /nfs/dbraw/zinc/09/84/81/570098481.db2.gz WNFHFICIGHUZFJ-AEFFLSMTSA-N 1 1 458.489 4.290 50 10 JICAMO O=C(c1coc2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12)c1ccc(F)cc1 ZINC000253414113 570098483 /nfs/dbraw/zinc/09/84/83/570098483.db2.gz WNFHFICIGHUZFJ-AEFFLSMTSA-N 1 1 458.489 4.290 50 10 JICAMO C[N@@H+]1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013815708 555629319 /nfs/dbraw/zinc/62/93/19/555629319.db2.gz BWWMAGDHQYXYRU-WVQWTBLQSA-N 1 1 493.585 4.095 50 10 JICAMO C[N@H+]1C[C@H](c2ccccc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013815708 555629322 /nfs/dbraw/zinc/62/93/22/555629322.db2.gz BWWMAGDHQYXYRU-WVQWTBLQSA-N 1 1 493.585 4.095 50 10 JICAMO COc1ccc2cc(C[N@H+](C)CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)ccc2c1 ZINC000015521231 555913172 /nfs/dbraw/zinc/91/31/72/555913172.db2.gz YWGIZHHEXJQFLM-UHFFFAOYSA-N 1 1 491.613 4.218 50 10 JICAMO COc1ccc2cc(C[N@@H+](C)CC(=O)c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)ccc2c1 ZINC000015521231 555913174 /nfs/dbraw/zinc/91/31/74/555913174.db2.gz YWGIZHHEXJQFLM-UHFFFAOYSA-N 1 1 491.613 4.218 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914197 556177849 /nfs/dbraw/zinc/17/78/49/556177849.db2.gz PQLPUWVMRRAGPK-RUZDIDTESA-N 1 1 464.560 4.324 50 10 JICAMO CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016914687 556179091 /nfs/dbraw/zinc/17/90/91/556179091.db2.gz MGIOHMACCBEECV-MHZLTWQESA-N 1 1 463.647 4.014 50 10 JICAMO CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000016914687 556179092 /nfs/dbraw/zinc/17/90/92/556179092.db2.gz MGIOHMACCBEECV-MHZLTWQESA-N 1 1 463.647 4.014 50 10 JICAMO CN1c2ccccc2[C@@]2(C1=O)[N@@H+](C)C[C@@H](c1cccs1)[C@]21SC(=S)N(Cc2ccco2)C1=O ZINC000245325276 570064229 /nfs/dbraw/zinc/06/42/29/570064229.db2.gz DUBALWYGBWSREQ-YRUKQIKQSA-N 1 1 495.651 4.041 50 10 JICAMO CCCCCOC[C@@H]1C[C@]2(C[C@](C)(C3=N[C@@H](Nc4ccccc4Cl)[S-]=C3)OC2=O)C(=O)O1 ZINC000252427256 570080249 /nfs/dbraw/zinc/08/02/49/570080249.db2.gz YXZOHTUVKJCQJC-UXVKIGTPSA-N 1 1 480.006 4.240 50 10 JICAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000017011300 525062575 /nfs/dbraw/zinc/06/25/75/525062575.db2.gz KWVOZGLXDYZZCE-SANMLTNESA-N 1 1 479.646 4.148 50 10 JICAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000017011300 525062589 /nfs/dbraw/zinc/06/25/89/525062589.db2.gz KWVOZGLXDYZZCE-SANMLTNESA-N 1 1 479.646 4.148 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914187 556177829 /nfs/dbraw/zinc/17/78/29/556177829.db2.gz UVTRWSOTCPLHMA-RUZDIDTESA-N 1 1 482.550 4.463 50 10 JICAMO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914046 556177930 /nfs/dbraw/zinc/17/79/30/556177930.db2.gz KMNOASXFBFLFKV-MUUNZHRXSA-N 1 1 456.634 4.365 50 10 JICAMO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000016914568 556178557 /nfs/dbraw/zinc/17/85/57/556178557.db2.gz HEZMICALKWMHEW-VWLOTQADSA-N 1 1 459.590 4.299 50 10 JICAMO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000017042927 556209733 /nfs/dbraw/zinc/20/97/33/556209733.db2.gz TYHSADFXTJQPQG-NDEPHWFRSA-N 1 1 490.623 4.259 50 10 JICAMO COc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000025514266 556218653 /nfs/dbraw/zinc/21/86/53/556218653.db2.gz ZFUSJNZPDOANGH-XRKRLSELSA-N 1 1 485.584 4.292 50 10 JICAMO CCOC(=O)c1c(COc2ccccn2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393672 569710105 /nfs/dbraw/zinc/71/01/05/569710105.db2.gz GZJQILAJPNROLR-UHFFFAOYSA-N 1 1 460.534 4.158 50 10 JICAMO CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000008384982 554568045 /nfs/dbraw/zinc/56/80/45/554568045.db2.gz OTNJYSPLIGAWFC-GZTJUZNOSA-N 1 1 474.348 4.460 50 10 JICAMO CCOC(=O)CCc1c(C)c2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c([O-])c(C)c2oc1=O ZINC000013625185 555539047 /nfs/dbraw/zinc/53/90/47/555539047.db2.gz DFUYAYXKGZKGCD-UHFFFAOYSA-N 1 1 492.616 4.365 50 10 JICAMO Cc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000022665497 555941922 /nfs/dbraw/zinc/94/19/22/555941922.db2.gz JTVKEDZHEPTGAJ-MUUNZHRXSA-N 1 1 472.633 4.120 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000015780695 555999317 /nfs/dbraw/zinc/99/93/17/555999317.db2.gz OWEZWCQBHCUYLH-MHZLTWQESA-N 1 1 496.611 4.152 50 10 JICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)COc3ccccc3)CC2)cc1 ZINC000023181618 556028086 /nfs/dbraw/zinc/02/80/86/556028086.db2.gz ILGIJHUFEMMMNW-IBVKSMDESA-N 1 1 465.619 4.204 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016914202 556177873 /nfs/dbraw/zinc/17/78/73/556177873.db2.gz PQLPUWVMRRAGPK-VWLOTQADSA-N 1 1 464.560 4.324 50 10 JICAMO COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000016914650 556179116 /nfs/dbraw/zinc/17/91/16/556179116.db2.gz PZOLZPZKPROQSC-SANMLTNESA-N 1 1 458.606 4.055 50 10 JICAMO CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000017123277 556220251 /nfs/dbraw/zinc/22/02/51/556220251.db2.gz OTNJYSPLIGAWFC-BOPFTXTBSA-N 1 1 474.348 4.460 50 10 JICAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008400418 554575479 /nfs/dbraw/zinc/57/54/79/554575479.db2.gz MNEZOIUTPUNDIC-XDHOZWIPSA-N 1 1 481.375 4.083 50 10 JICAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000009264990 555040334 /nfs/dbraw/zinc/04/03/34/555040334.db2.gz RGKOOMATFPFUFD-LDADJPATSA-N 1 1 450.951 4.282 50 10 JICAMO COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000015947396 556085195 /nfs/dbraw/zinc/08/51/95/556085195.db2.gz NFUYXHQXIAYJHW-QGZVFWFLSA-N 1 1 452.374 4.420 50 10 JICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(C)c2O)N3)C1 ZINC000015947297 556085248 /nfs/dbraw/zinc/08/52/48/556085248.db2.gz KNVKZDZORHIUPX-INIZCTEOSA-N 1 1 469.348 4.174 50 10 JICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914259 556178264 /nfs/dbraw/zinc/17/82/64/556178264.db2.gz MPQWGOGIOYQTOG-SANMLTNESA-N 1 1 482.550 4.463 50 10 JICAMO COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000016914231 556178314 /nfs/dbraw/zinc/17/83/14/556178314.db2.gz PPQRLEPRCABVMO-VWLOTQADSA-N 1 1 489.616 4.308 50 10 JICAMO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000016914415 556178658 /nfs/dbraw/zinc/17/86/58/556178658.db2.gz MVTYODTZSOZUFP-AREMUKBSSA-N 1 1 459.590 4.299 50 10 JICAMO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1OC ZINC000016914556 556178689 /nfs/dbraw/zinc/17/86/89/556178689.db2.gz QKRQAIKWCKUMPW-AREMUKBSSA-N 1 1 488.632 4.063 50 10 JICAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000017053084 556213625 /nfs/dbraw/zinc/21/36/25/556213625.db2.gz ZYWWFKDLFVTDEL-HHHXNRCGSA-N 1 1 463.647 4.447 50 10 JICAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000017053084 556213630 /nfs/dbraw/zinc/21/36/30/556213630.db2.gz ZYWWFKDLFVTDEL-HHHXNRCGSA-N 1 1 463.647 4.447 50 10 JICAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000057015860 569593943 /nfs/dbraw/zinc/59/39/43/569593943.db2.gz QGDJDJHPIKVYOH-DFBJGRDBSA-N 1 1 465.619 4.447 50 10 JICAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5cc(Cl)ccc5O)CC4)c3C2=O)cc1 ZINC000064103391 569616433 /nfs/dbraw/zinc/61/64/33/569616433.db2.gz HAYXZNNLFKXJPF-UHFFFAOYSA-N 1 1 491.975 4.173 50 10 JICAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)nc1 ZINC000034681715 569643469 /nfs/dbraw/zinc/64/34/69/569643469.db2.gz ZQUGSNDIYWMMKT-UHFFFAOYSA-N 1 1 466.969 4.170 50 10 JICAMO CN(C)c1ccc(C[N@H+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C2CC2)cc1 ZINC000040153719 569820580 /nfs/dbraw/zinc/82/05/80/569820580.db2.gz WVCPBTFWMWKIDI-NRFANRHFSA-N 1 1 460.500 4.023 50 10 JICAMO CN(C)c1ccc(C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)C2CC2)cc1 ZINC000040153719 569820581 /nfs/dbraw/zinc/82/05/81/569820581.db2.gz WVCPBTFWMWKIDI-NRFANRHFSA-N 1 1 460.500 4.023 50 10 JICAMO