smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801619 195227271 /nfs/dbraw/zinc/22/72/71/195227271.db2.gz YSIUJLDNRJIBJY-LEWJYISDSA-N 2 2 454.958 2.864 40 0 JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000006193094 520620536 /nfs/dbraw/zinc/62/05/36/520620536.db2.gz QZOMVXKDWWVYFT-UHFFFAOYSA-N 2 2 487.714 2.886 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000022537029 555933945 /nfs/dbraw/zinc/93/39/45/555933945.db2.gz NLPUQGOTWIWXIT-NHCUHLMSSA-N 2 2 454.958 2.864 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000257228089 570116438 /nfs/dbraw/zinc/11/64/38/570116438.db2.gz FSGGMVLKZAIAEK-RUZDIDTESA-N 2 2 488.032 2.779 40 0 JFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](c4ccc(F)c(F)c4)[C@]4(C3)CCCC(=O)N4)cc2)CC1 ZINC000257230897 570117236 /nfs/dbraw/zinc/11/72/36/570117236.db2.gz GELHIJHJHMTZAJ-WXVAWEFUSA-N 2 2 497.590 2.793 40 0 JFABLP C[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](c4ccc(F)c(F)c4)[C@]4(C3)CCCC(=O)N4)cc2)CC1 ZINC000257230897 570117237 /nfs/dbraw/zinc/11/72/37/570117237.db2.gz GELHIJHJHMTZAJ-WXVAWEFUSA-N 2 2 497.590 2.793 40 0 JFABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257264459 570127810 /nfs/dbraw/zinc/12/78/10/570127810.db2.gz LUMKRMWSJDVMPG-HHHXNRCGSA-N 2 2 477.609 2.912 40 0 JFABLP COc1cc(C[N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000257285057 570134178 /nfs/dbraw/zinc/13/41/78/570134178.db2.gz PFLCKGSHOXNDEF-SANMLTNESA-N 2 2 467.566 2.921 40 0 JFABLP COc1cc(C[N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000257285057 570134179 /nfs/dbraw/zinc/13/41/79/570134179.db2.gz PFLCKGSHOXNDEF-SANMLTNESA-N 2 2 467.566 2.921 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000257315555 570143165 /nfs/dbraw/zinc/14/31/65/570143165.db2.gz VBXLEWQBJNRRTG-DEOSSOPVSA-N 2 2 458.990 2.549 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000257315555 570143166 /nfs/dbraw/zinc/14/31/66/570143166.db2.gz VBXLEWQBJNRRTG-DEOSSOPVSA-N 2 2 458.990 2.549 40 0 JFABLP CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CC(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)CC2 ZINC000257338321 570149975 /nfs/dbraw/zinc/14/99/75/570149975.db2.gz YWXBFAUZMUHSFX-GDKKVTFASA-N 2 2 488.592 2.610 40 0 JFABLP CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CC(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)CC2 ZINC000257338321 570149977 /nfs/dbraw/zinc/14/99/77/570149977.db2.gz YWXBFAUZMUHSFX-GDKKVTFASA-N 2 2 488.592 2.610 40 0 JFABLP CC[C@@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328992546 570180830 /nfs/dbraw/zinc/18/08/30/570180830.db2.gz IWPYLGFTDOYECK-MRXNPFEDSA-N 2 2 452.525 2.756 40 0 JFABLP CC(C)[C@@H](CO)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008089 570181403 /nfs/dbraw/zinc/18/14/03/570181403.db2.gz LOTAECDIAVCQDQ-LJQANCHMSA-N 2 2 469.508 3.215 40 0 JFABLP COc1cc(NC(=O)N2CC[NH+](C)CC2)ccc1-c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000004791924 522686154 /nfs/dbraw/zinc/68/61/54/522686154.db2.gz GXWLZMHIFUUPDV-UHFFFAOYSA-N 2 2 496.612 2.929 40 0 JFABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)CC1 ZINC000020503645 523771530 /nfs/dbraw/zinc/77/15/30/523771530.db2.gz NGRPFRZVQBQNGD-JTHBVZDNSA-N 3 2 462.638 2.861 40 0 biogenic,in-vitro JFABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)CC1 ZINC000020503645 523771535 /nfs/dbraw/zinc/77/15/35/523771535.db2.gz NGRPFRZVQBQNGD-JTHBVZDNSA-N 3 2 462.638 2.861 40 0 biogenic,in-vitro JFABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)CC1 ZINC000020503645 523771537 /nfs/dbraw/zinc/77/15/37/523771537.db2.gz NGRPFRZVQBQNGD-JTHBVZDNSA-N 2 2 462.638 2.861 40 0 biogenic,in-vitro JFABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)CC1 ZINC000020503645 523771540 /nfs/dbraw/zinc/77/15/40/523771540.db2.gz NGRPFRZVQBQNGD-JTHBVZDNSA-N 2 2 462.638 2.861 40 0 biogenic,in-vitro JFABLP Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000008636239 525578051 /nfs/dbraw/zinc/57/80/51/525578051.db2.gz QTPFNGXWDZIFHN-SONWIMMPSA-N 2 2 468.667 2.806 40 0 biogenic,in-vitro JFABLP CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000022742157 555949549 /nfs/dbraw/zinc/94/95/49/555949549.db2.gz FLBJISFUCBJLBO-UHFFFAOYSA-N 2 2 484.622 2.619 40 0 JFABLP CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000022742157 555949553 /nfs/dbraw/zinc/94/95/53/555949553.db2.gz FLBJISFUCBJLBO-UHFFFAOYSA-N 2 2 484.622 2.619 40 0 JFABLP C[N@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)Nc2cccc(O)c2)nn1)Cc1ccccc1 ZINC000008297724 560208265 /nfs/dbraw/zinc/20/82/65/560208265.db2.gz IYICPKHMXMAQBD-ZWSUVBHBSA-N 2 2 460.582 2.965 40 0 biogenic,in-vitro JFABLP C[N@@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)Nc2cccc(O)c2)nn1)Cc1ccccc1 ZINC000008297724 560208266 /nfs/dbraw/zinc/20/82/66/560208266.db2.gz IYICPKHMXMAQBD-ZWSUVBHBSA-N 2 2 460.582 2.965 40 0 biogenic,in-vitro JFABLP C[NH+](Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)Nc2cccc(O)c2)nn1)Cc1ccccc1 ZINC000008297724 560208268 /nfs/dbraw/zinc/20/82/68/560208268.db2.gz IYICPKHMXMAQBD-ZWSUVBHBSA-N 2 2 460.582 2.965 40 0 biogenic,in-vitro JFABLP O=C1CCCN1CCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247418 570122290 /nfs/dbraw/zinc/12/22/90/570122290.db2.gz IYYPJGHEKBSAER-LJAQVGFWSA-N 2 2 492.664 2.837 40 0 JFABLP O=C1CCCN1CCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247418 570122292 /nfs/dbraw/zinc/12/22/92/570122292.db2.gz IYYPJGHEKBSAER-LJAQVGFWSA-N 2 2 492.664 2.837 40 0 JFABLP O=C1CCCN1CCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247417 570122348 /nfs/dbraw/zinc/12/23/48/570122348.db2.gz IYYPJGHEKBSAER-GDLZYMKVSA-N 2 2 492.664 2.837 40 0 JFABLP O=C1CCCN1CCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257247417 570122349 /nfs/dbraw/zinc/12/23/49/570122349.db2.gz IYYPJGHEKBSAER-GDLZYMKVSA-N 2 2 492.664 2.837 40 0 JFABLP CCn1c2ccc(NC(=O)C[N@@H+]3C[C@H](c4ccc(OC)cc4)[C@H]4C[NH2+]CC[C@H]43)cc2oc1=O ZINC000257254829 570124626 /nfs/dbraw/zinc/12/46/26/570124626.db2.gz KEWAHIWBIUAGEG-NJDAHSKKSA-N 2 2 450.539 2.639 40 0 JFABLP CCn1c2ccc(NC(=O)C[N@H+]3C[C@H](c4ccc(OC)cc4)[C@H]4C[NH2+]CC[C@H]43)cc2oc1=O ZINC000257254829 570124627 /nfs/dbraw/zinc/12/46/27/570124627.db2.gz KEWAHIWBIUAGEG-NJDAHSKKSA-N 2 2 450.539 2.639 40 0 JFABLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257301112 570138746 /nfs/dbraw/zinc/13/87/46/570138746.db2.gz RXANMQMSOUDXIB-URXFXBBRSA-N 2 2 499.631 2.996 40 0 JFABLP CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)CC[N@H+]2C)c1 ZINC000257311007 570141745 /nfs/dbraw/zinc/14/17/45/570141745.db2.gz UHNVFIQYQMJVKP-DEOSSOPVSA-N 2 2 466.601 2.955 40 0 JFABLP CCn1cc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332007 570148100 /nfs/dbraw/zinc/14/81/00/570148100.db2.gz XVIUTFXYGRMAQK-RUZDIDTESA-N 2 2 490.048 2.679 40 0 JFABLP CCn1cc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332007 570148101 /nfs/dbraw/zinc/14/81/01/570148101.db2.gz XVIUTFXYGRMAQK-RUZDIDTESA-N 2 2 490.048 2.679 40 0 JFABLP CC(C)[C@H](CO)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008088 570181352 /nfs/dbraw/zinc/18/13/52/570181352.db2.gz LOTAECDIAVCQDQ-IBGZPJMESA-N 2 2 469.508 3.215 40 0 JFABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)NCC[NH+]1CCOCC1 ZINC000015673469 291489459 /nfs/dbraw/zinc/48/94/59/291489459.db2.gz OYHKZOINZOLANN-PMACEKPBSA-N 2 2 458.628 2.574 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000224507699 569946647 /nfs/dbraw/zinc/94/66/47/569946647.db2.gz JMYZVAJURRQQQB-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP Cc1cccnc1C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257206967 570109980 /nfs/dbraw/zinc/10/99/80/570109980.db2.gz BFRDZTULWWUZKU-VWLOTQADSA-N 2 2 473.017 2.858 40 0 JFABLP Cc1cccnc1C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257206967 570109981 /nfs/dbraw/zinc/10/99/81/570109981.db2.gz BFRDZTULWWUZKU-VWLOTQADSA-N 2 2 473.017 2.858 40 0 JFABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257280202 570132744 /nfs/dbraw/zinc/13/27/44/570132744.db2.gz OJYDFWDQRMXVEF-AREMUKBSSA-N 2 2 463.582 2.522 40 0 JFABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCn4nc(C)cc4C)cc3)C2)nc[nH+]1 ZINC000257312842 570142476 /nfs/dbraw/zinc/14/24/76/570142476.db2.gz UPUCEHUAWRIMSO-RUZDIDTESA-N 2 2 465.602 2.532 40 0 JFABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCn4nc(C)cc4C)cc3)C2)[nH+]cn1 ZINC000257312842 570142477 /nfs/dbraw/zinc/14/24/77/570142477.db2.gz UPUCEHUAWRIMSO-RUZDIDTESA-N 2 2 465.602 2.532 40 0 JFABLP c1c(CC2([NH2+]Cc3cccc4c3OCO4)COC2)noc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000067898448 560049946 /nfs/dbraw/zinc/04/99/46/560049946.db2.gz UXDUIVPWMKAQEM-UHFFFAOYSA-N 2 2 462.550 2.827 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc2Cl)CC1 ZINC000224628989 569951469 /nfs/dbraw/zinc/95/14/69/569951469.db2.gz WWOJOSVKZXONCO-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@@H+](C)C1 ZINC000257203404 570109040 /nfs/dbraw/zinc/10/90/40/570109040.db2.gz APVWHGWOBZQWPK-VWLOTQADSA-N 2 2 452.530 2.729 40 0 JFABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@H+](C)C1 ZINC000257203404 570109041 /nfs/dbraw/zinc/10/90/41/570109041.db2.gz APVWHGWOBZQWPK-VWLOTQADSA-N 2 2 452.530 2.729 40 0 JFABLP CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3c(c1)[nH+]c(C)n3C)C2 ZINC000257225933 570115861 /nfs/dbraw/zinc/11/58/61/570115861.db2.gz FILMLFZKAHQRQE-XCRWMPKNSA-N 2 2 474.609 2.704 40 0 JFABLP CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3c(c1)[nH+]c(C)n3C)C2 ZINC000257225933 570115863 /nfs/dbraw/zinc/11/58/63/570115863.db2.gz FILMLFZKAHQRQE-XCRWMPKNSA-N 2 2 474.609 2.704 40 0 JFABLP C[N@H+](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000257252508 570123843 /nfs/dbraw/zinc/12/38/43/570123843.db2.gz JVAJVCRDWKJLTE-VWLOTQADSA-N 2 2 470.658 2.711 40 0 JFABLP C[N@@H+](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000257252508 570123844 /nfs/dbraw/zinc/12/38/44/570123844.db2.gz JVAJVCRDWKJLTE-VWLOTQADSA-N 2 2 470.658 2.711 40 0 JFABLP Cc1nc([C@@H]2CCCN2C(=O)C[N@@H+](C)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000257275139 570131153 /nfs/dbraw/zinc/13/11/53/570131153.db2.gz NOBHYDMOVZZLGE-QFIPXVFZSA-N 2 2 468.577 2.866 40 0 JFABLP Cc1nc([C@@H]2CCCN2C(=O)C[N@H+](C)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000257275139 570131154 /nfs/dbraw/zinc/13/11/54/570131154.db2.gz NOBHYDMOVZZLGE-QFIPXVFZSA-N 2 2 468.577 2.866 40 0 JFABLP Cc1cncc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257304824 570139868 /nfs/dbraw/zinc/13/98/68/570139868.db2.gz SNHLGCRPTHXEMS-RUZDIDTESA-N 2 2 473.017 2.858 40 0 JFABLP Cc1cncc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257304824 570139869 /nfs/dbraw/zinc/13/98/69/570139869.db2.gz SNHLGCRPTHXEMS-RUZDIDTESA-N 2 2 473.017 2.858 40 0 JFABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCC(C)CC4)c(OC)c3)C2)nc[nH+]1 ZINC000257323645 570145627 /nfs/dbraw/zinc/14/56/27/570145627.db2.gz WLGCDVLVSCBFLD-HHHXNRCGSA-N 3 2 498.672 2.759 40 0 JFABLP CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCC(C)CC4)c(OC)c3)C2)[nH+]cn1 ZINC000257323645 570145629 /nfs/dbraw/zinc/14/56/29/570145629.db2.gz WLGCDVLVSCBFLD-HHHXNRCGSA-N 3 2 498.672 2.759 40 0 JFABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCc3ccccc3C2)cc1 ZINC000012602423 195047710 /nfs/dbraw/zinc/04/77/10/195047710.db2.gz AWDFXYUIPJHOCT-ACIOBRDBSA-N 2 2 455.624 2.742 40 0 biogenic,in-vitro JFABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCc3ccccc3C2)cc1 ZINC000012602423 195047713 /nfs/dbraw/zinc/04/77/13/195047713.db2.gz AWDFXYUIPJHOCT-ACIOBRDBSA-N 2 2 455.624 2.742 40 0 biogenic,in-vitro JFABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000012602423 195047715 /nfs/dbraw/zinc/04/77/15/195047715.db2.gz AWDFXYUIPJHOCT-ACIOBRDBSA-N 2 2 455.624 2.742 40 0 biogenic,in-vitro JFABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@H+]2CCc3ccccc3C2)cc1 ZINC000012602423 195047717 /nfs/dbraw/zinc/04/77/17/195047717.db2.gz AWDFXYUIPJHOCT-ACIOBRDBSA-N 2 2 455.624 2.742 40 0 biogenic,in-vitro JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000006193102 520620237 /nfs/dbraw/zinc/62/02/37/520620237.db2.gz DVTMOGZTQDLIQX-UHFFFAOYSA-N 2 2 473.687 2.577 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000022537038 555933877 /nfs/dbraw/zinc/93/38/77/555933877.db2.gz NLPUQGOTWIWXIT-SFTDATJTSA-N 2 2 454.958 2.864 40 0 JFABLP CC(=O)N1CCC([NH+]2CCC(O)(c3csc(C[N@@H+]4CCc5ccccc5C4)n3)CC2)CC1 ZINC000225425105 560043095 /nfs/dbraw/zinc/04/30/95/560043095.db2.gz NZEIJCLXJGXETD-UHFFFAOYSA-N 2 2 454.640 2.996 40 0 biogenic,in-vitro JFABLP CC(=O)N1CCC([NH+]2CCC(O)(c3csc(C[N@H+]4CCc5ccccc5C4)n3)CC2)CC1 ZINC000225425105 560043096 /nfs/dbraw/zinc/04/30/96/560043096.db2.gz NZEIJCLXJGXETD-UHFFFAOYSA-N 2 2 454.640 2.996 40 0 biogenic,in-vitro JFABLP Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224688496 569953620 /nfs/dbraw/zinc/95/36/20/569953620.db2.gz BNSLVJTYTQWGTA-UHFFFAOYSA-N 2 2 484.666 2.847 40 0 JFABLP CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000257238934 570119923 /nfs/dbraw/zinc/11/99/23/570119923.db2.gz HNELSQWAKLKJFE-DEOSSOPVSA-N 2 2 472.593 2.952 40 0 JFABLP CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000257238934 570119924 /nfs/dbraw/zinc/11/99/24/570119924.db2.gz HNELSQWAKLKJFE-DEOSSOPVSA-N 2 2 472.593 2.952 40 0 JFABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000257257246 570125405 /nfs/dbraw/zinc/12/54/05/570125405.db2.gz KOSUZVFMFHWQDX-SANMLTNESA-N 2 2 463.582 2.674 40 0 JFABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257280203 570132693 /nfs/dbraw/zinc/13/26/93/570132693.db2.gz OJYDFWDQRMXVEF-SANMLTNESA-N 2 2 463.582 2.522 40 0 JFABLP Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257300934 570138754 /nfs/dbraw/zinc/13/87/54/570138754.db2.gz RWHKCOKNQAVLRH-AREMUKBSSA-N 2 2 463.582 2.769 40 0 JFABLP O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340230 570150562 /nfs/dbraw/zinc/15/05/62/570150562.db2.gz ZFDNVPGVYFVORX-MHZLTWQESA-N 2 2 461.610 2.721 40 0 JFABLP O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340230 570150563 /nfs/dbraw/zinc/15/05/63/570150563.db2.gz ZFDNVPGVYFVORX-MHZLTWQESA-N 2 2 461.610 2.721 40 0 JFABLP C[NH+]1CCN([C@H]2[C@@H](C[N@H+](Cc3ccc(Cl)cc3)Cc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020464695 523921423 /nfs/dbraw/zinc/92/14/23/523921423.db2.gz SSJZUVYFPYSYQA-WSOYEBOPSA-N 2 2 494.463 2.732 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN([C@H]2[C@@H](C[N@@H+](Cc3ccc(Cl)cc3)Cc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020464695 523921428 /nfs/dbraw/zinc/92/14/28/523921428.db2.gz SSJZUVYFPYSYQA-WSOYEBOPSA-N 2 2 494.463 2.732 40 0 biogenic,in-vitro JFABLP Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224842599 569959934 /nfs/dbraw/zinc/95/99/34/569959934.db2.gz SSZITMJSTJUQIC-UHFFFAOYSA-N 2 2 484.666 2.847 40 0 JFABLP Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257216522 570113042 /nfs/dbraw/zinc/11/30/42/570113042.db2.gz CUWPGOVAXLZEOO-JOCHJYFZSA-N 2 2 480.613 2.756 40 0 JFABLP Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2C(=O)C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257216522 570113043 /nfs/dbraw/zinc/11/30/43/570113043.db2.gz CUWPGOVAXLZEOO-JOCHJYFZSA-N 2 2 480.613 2.756 40 0 JFABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000257224579 570115368 /nfs/dbraw/zinc/11/53/68/570115368.db2.gz FCJOVTFUYNPLQR-SANMLTNESA-N 2 2 463.582 2.674 40 0 JFABLP CC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257224866 570115608 /nfs/dbraw/zinc/11/56/08/570115608.db2.gz FDTBILGAGNJLCO-HHHXNRCGSA-N 2 2 478.593 2.745 40 0 JFABLP CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000257224866 570115609 /nfs/dbraw/zinc/11/56/09/570115609.db2.gz FDTBILGAGNJLCO-HHHXNRCGSA-N 2 2 478.593 2.745 40 0 JFABLP CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000257238935 570119929 /nfs/dbraw/zinc/11/99/29/570119929.db2.gz HNELSQWAKLKJFE-XMMPIXPASA-N 2 2 472.593 2.952 40 0 JFABLP CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000257238935 570119930 /nfs/dbraw/zinc/11/99/30/570119930.db2.gz HNELSQWAKLKJFE-XMMPIXPASA-N 2 2 472.593 2.952 40 0 JFABLP Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257303110 570139371 /nfs/dbraw/zinc/13/93/71/570139371.db2.gz SFUYGZQNCSPPRO-AREMUKBSSA-N 2 2 463.582 2.769 40 0 JFABLP S=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCSCC1)Nc1ccc(-n2cccn2)cc1 ZINC000020503879 126115374 /nfs/dbraw/zinc/11/53/74/126115374.db2.gz RQMMLYCEWHZUAD-CNNODRBYSA-N 2 2 456.685 2.918 40 0 biogenic,in-vitro JFABLP S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCSCC1)Nc1ccc(-n2cccn2)cc1 ZINC000020503879 126115377 /nfs/dbraw/zinc/11/53/77/126115377.db2.gz RQMMLYCEWHZUAD-CNNODRBYSA-N 2 2 456.685 2.918 40 0 biogenic,in-vitro JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000006193093 520620103 /nfs/dbraw/zinc/62/01/03/520620103.db2.gz UPVYMAYAOZEJNE-UHFFFAOYSA-N 2 2 487.714 2.886 40 0 JFABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)on1)NCc1cccnc1 ZINC000012483010 527124919 /nfs/dbraw/zinc/12/49/19/527124919.db2.gz NMCCWZZMDPQHMB-ZEQRLZLVSA-N 2 2 488.636 2.867 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2Cl)CC1 ZINC000224793186 569957878 /nfs/dbraw/zinc/95/78/78/569957878.db2.gz GJBQBABFWZVARZ-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000224842263 569959916 /nfs/dbraw/zinc/95/99/16/569959916.db2.gz KTJZRAQSKBCKQI-UHFFFAOYSA-N 2 2 484.666 2.680 40 0 JFABLP Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCCC[NH3+])cc3)CC2)c2cnccc2[nH+]1 ZINC000257202761 570108678 /nfs/dbraw/zinc/10/86/78/570108678.db2.gz ANHOSOCVIDCSOE-UHFFFAOYSA-N 2 2 463.582 2.769 40 0 JFABLP Cc1cc(N2CCC(O)(CN(C)C(=O)c3cccc(OCCC[NH3+])c3)CC2)c2cnccc2[nH+]1 ZINC000257209601 570110800 /nfs/dbraw/zinc/11/08/00/570110800.db2.gz BQZVDULAYDBGSS-UHFFFAOYSA-N 2 2 463.582 2.769 40 0 JFABLP Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257216523 570113076 /nfs/dbraw/zinc/11/30/76/570113076.db2.gz CUWPGOVAXLZEOO-QFIPXVFZSA-N 2 2 480.613 2.756 40 0 JFABLP Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257216523 570113077 /nfs/dbraw/zinc/11/30/77/570113077.db2.gz CUWPGOVAXLZEOO-QFIPXVFZSA-N 2 2 480.613 2.756 40 0 JFABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000257224578 570115395 /nfs/dbraw/zinc/11/53/95/570115395.db2.gz FCJOVTFUYNPLQR-AREMUKBSSA-N 2 2 463.582 2.674 40 0 JFABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257264460 570127767 /nfs/dbraw/zinc/12/77/67/570127767.db2.gz LUMKRMWSJDVMPG-MHZLTWQESA-N 2 2 477.609 2.912 40 0 JFABLP Cc1nc([C@H]2CCCN2C(=O)C[N@@H+](C)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000257275138 570131173 /nfs/dbraw/zinc/13/11/73/570131173.db2.gz NOBHYDMOVZZLGE-JOCHJYFZSA-N 2 2 468.577 2.866 40 0 JFABLP Cc1nc([C@H]2CCCN2C(=O)C[N@H+](C)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000257275138 570131174 /nfs/dbraw/zinc/13/11/74/570131174.db2.gz NOBHYDMOVZZLGE-JOCHJYFZSA-N 2 2 468.577 2.866 40 0 JFABLP CNC(=O)c1cccc([C@H]2CN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)CC[N@H+]2C)c1 ZINC000257311008 570141751 /nfs/dbraw/zinc/14/17/51/570141751.db2.gz UHNVFIQYQMJVKP-XMMPIXPASA-N 2 2 466.601 2.955 40 0 JFABLP O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340229 570150419 /nfs/dbraw/zinc/15/04/19/570150419.db2.gz ZFDNVPGVYFVORX-HHHXNRCGSA-N 2 2 461.610 2.721 40 0 JFABLP O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000257340229 570150420 /nfs/dbraw/zinc/15/04/20/570150420.db2.gz ZFDNVPGVYFVORX-HHHXNRCGSA-N 2 2 461.610 2.721 40 0 JFABLP CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)CC1 ZINC000020503683 519510711 /nfs/dbraw/zinc/51/07/11/519510711.db2.gz WLGRGOGJTIXJGZ-LADGPHEKSA-N 2 2 490.648 2.778 40 0 biogenic,in-vitro JFABLP CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)CC1 ZINC000020503683 519510718 /nfs/dbraw/zinc/51/07/18/519510718.db2.gz WLGRGOGJTIXJGZ-LADGPHEKSA-N 2 2 490.648 2.778 40 0 biogenic,in-vitro JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006193096 520620395 /nfs/dbraw/zinc/62/03/95/520620395.db2.gz DLIDKIZYCLCWMQ-UHFFFAOYSA-N 2 2 487.714 2.886 40 0 JFABLP COc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008298998 565093389 /nfs/dbraw/zinc/09/33/89/565093389.db2.gz CBZGBAXJLMNPOD-DFCKQENNSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008298998 565093392 /nfs/dbraw/zinc/09/33/92/565093392.db2.gz CBZGBAXJLMNPOD-DFCKQENNSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP COc1ccccc1CNC(=O)[C@H]1C[NH+]2CC[C@H]1C[C@@H]2Cn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000008298998 565093399 /nfs/dbraw/zinc/09/33/99/565093399.db2.gz CBZGBAXJLMNPOD-DFCKQENNSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)CC2 ZINC000098091928 569750769 /nfs/dbraw/zinc/75/07/69/569750769.db2.gz RYYVRFAJTNFQBC-GOSISDBHSA-N 2 2 496.674 2.967 40 0 JFABLP C[N@H+](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000257252507 570123848 /nfs/dbraw/zinc/12/38/48/570123848.db2.gz JVAJVCRDWKJLTE-RUZDIDTESA-N 2 2 470.658 2.711 40 0 JFABLP C[N@@H+](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000257252507 570123849 /nfs/dbraw/zinc/12/38/49/570123849.db2.gz JVAJVCRDWKJLTE-RUZDIDTESA-N 2 2 470.658 2.711 40 0 JFABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000257257245 570125444 /nfs/dbraw/zinc/12/54/44/570125444.db2.gz KOSUZVFMFHWQDX-AREMUKBSSA-N 2 2 463.582 2.674 40 0 JFABLP CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257266673 570128626 /nfs/dbraw/zinc/12/86/26/570128626.db2.gz MDZWGVSGXOYFLG-VWLOTQADSA-N 2 2 452.603 2.608 40 0 JFABLP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307116 570140571 /nfs/dbraw/zinc/14/05/71/570140571.db2.gz SXHGVMDVVPZUDJ-HHHXNRCGSA-N 2 2 461.610 2.758 40 0 JFABLP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307116 570140572 /nfs/dbraw/zinc/14/05/72/570140572.db2.gz SXHGVMDVVPZUDJ-HHHXNRCGSA-N 2 2 461.610 2.758 40 0 JFABLP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307117 570140583 /nfs/dbraw/zinc/14/05/83/570140583.db2.gz SXHGVMDVVPZUDJ-MHZLTWQESA-N 2 2 461.610 2.758 40 0 JFABLP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307117 570140584 /nfs/dbraw/zinc/14/05/84/570140584.db2.gz SXHGVMDVVPZUDJ-MHZLTWQESA-N 2 2 461.610 2.758 40 0 JFABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCC(C)CC4)c(OC)c3)C2)nc[nH+]1 ZINC000257323646 570145709 /nfs/dbraw/zinc/14/57/09/570145709.db2.gz WLGCDVLVSCBFLD-MHZLTWQESA-N 3 2 498.672 2.759 40 0 JFABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+]4CCC(C)CC4)c(OC)c3)C2)[nH+]cn1 ZINC000257323646 570145710 /nfs/dbraw/zinc/14/57/10/570145710.db2.gz WLGCDVLVSCBFLD-MHZLTWQESA-N 3 2 498.672 2.759 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801622 195227229 /nfs/dbraw/zinc/22/72/29/195227229.db2.gz YSIUJLDNRJIBJY-RTWAWAEBSA-N 2 2 454.958 2.864 40 0 JFABLP CC[NH+]1CCN(C(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)N3CC[NH+](CC)CC3)c2)CC1 ZINC000019075297 556327848 /nfs/dbraw/zinc/32/78/48/556327848.db2.gz DJGKKJWFQIWCRK-UHFFFAOYSA-N 2 2 472.678 2.851 40 0 JFABLP Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224527217 569947214 /nfs/dbraw/zinc/94/72/14/569947214.db2.gz GRZBUKILLYJXLY-UHFFFAOYSA-N 2 2 484.666 2.847 40 0 JFABLP C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2)CC1 ZINC000224793314 569957847 /nfs/dbraw/zinc/95/78/47/569957847.db2.gz FIQLDKWPDRCLFV-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP CCc1[nH]c(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000257245164 570121657 /nfs/dbraw/zinc/12/16/57/570121657.db2.gz IOHYNHJBGUHHPC-RUZDIDTESA-N 2 2 490.048 2.748 40 0 JFABLP CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)nc[nH+]1 ZINC000257266672 570128481 /nfs/dbraw/zinc/12/84/81/570128481.db2.gz MDZWGVSGXOYFLG-RUZDIDTESA-N 2 2 452.603 2.608 40 0 JFABLP Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2[nH+]1 ZINC000257300935 570138798 /nfs/dbraw/zinc/13/87/98/570138798.db2.gz RWHKCOKNQAVLRH-SANMLTNESA-N 2 2 463.582 2.769 40 0 JFABLP C[NH+]1CCN(CCNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCC3)n2)CC1 ZINC000328976604 570180306 /nfs/dbraw/zinc/18/03/06/570180306.db2.gz FOTXNEWMJUBCHH-UHFFFAOYSA-N 2 2 464.536 2.900 40 0 JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000006193092 520619928 /nfs/dbraw/zinc/61/99/28/520619928.db2.gz QKRRVRFEKAEHGB-UHFFFAOYSA-N 2 2 487.714 2.886 40 0 JFABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000016688343 520712524 /nfs/dbraw/zinc/71/25/24/520712524.db2.gz WSIXRZAOPFDGOJ-UHFFFAOYSA-N 2 2 486.451 2.953 40 0 JFABLP C[N@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NCc2ccccc2)nn1)Cc1ccccc1 ZINC000008297706 554565080 /nfs/dbraw/zinc/56/50/80/554565080.db2.gz CORYEROGAGVTKZ-DMDYGQEQSA-N 2 2 458.610 2.937 40 0 biogenic,in-vitro JFABLP C[N@@H+](Cc1cn(C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NCc2ccccc2)nn1)Cc1ccccc1 ZINC000008297706 554565081 /nfs/dbraw/zinc/56/50/81/554565081.db2.gz CORYEROGAGVTKZ-DMDYGQEQSA-N 2 2 458.610 2.937 40 0 biogenic,in-vitro JFABLP C[NH+](Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccccc2)nn1)Cc1ccccc1 ZINC000008297706 554565087 /nfs/dbraw/zinc/56/50/87/554565087.db2.gz CORYEROGAGVTKZ-DMDYGQEQSA-N 2 2 458.610 2.937 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000224629116 569951478 /nfs/dbraw/zinc/95/14/78/569951478.db2.gz ZCPWKNVTOHVCPX-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC000224688036 569953602 /nfs/dbraw/zinc/95/36/02/569953602.db2.gz UPIBMMPBENDNRC-UHFFFAOYSA-N 2 2 484.666 2.680 40 0 JFABLP CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)C2 ZINC000257202617 570108646 /nfs/dbraw/zinc/10/86/46/570108646.db2.gz AMQHANLXIOZIDI-QGDZQMKYSA-N 2 2 460.582 2.693 40 0 JFABLP CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3[nH]c(C)[nH+]c3c1)C2 ZINC000257202617 570108648 /nfs/dbraw/zinc/10/86/48/570108648.db2.gz AMQHANLXIOZIDI-QGDZQMKYSA-N 2 2 460.582 2.693 40 0 JFABLP COc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000257285056 570134197 /nfs/dbraw/zinc/13/41/97/570134197.db2.gz PFLCKGSHOXNDEF-AREMUKBSSA-N 2 2 467.566 2.921 40 0 JFABLP COc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)ccc1OCCn1cc[nH+]c1 ZINC000257285056 570134198 /nfs/dbraw/zinc/13/41/98/570134198.db2.gz PFLCKGSHOXNDEF-AREMUKBSSA-N 2 2 467.566 2.921 40 0 JFABLP Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2[nH+]1 ZINC000257303111 570139398 /nfs/dbraw/zinc/13/93/98/570139398.db2.gz SFUYGZQNCSPPRO-SANMLTNESA-N 2 2 463.582 2.769 40 0 JFABLP Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000044919615 527449945 /nfs/dbraw/zinc/44/99/45/527449945.db2.gz ZVYWUJQCKANTHU-UHFFFAOYSA-N 2 2 467.595 2.737 40 0 JFABLP CC[NH+](CC)CC(=O)Nc1cc(NC(=O)C[NH+](CC)CC)c(C)c(NC(=O)C[NH+](CC)CC)c1 ZINC000004792398 554479829 /nfs/dbraw/zinc/47/98/29/554479829.db2.gz GAGGPNXZPCQUAQ-UHFFFAOYSA-N 3 2 476.666 2.836 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000022537032 555933858 /nfs/dbraw/zinc/93/38/58/555933858.db2.gz NLPUQGOTWIWXIT-LEWJYISDSA-N 2 2 454.958 2.864 40 0 JFABLP C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000224526930 569947226 /nfs/dbraw/zinc/94/72/26/569947226.db2.gz NUQDPTXYQKJKGX-UHFFFAOYSA-N 2 2 484.666 2.680 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](C2CCC2)CC3=O)CC1 ZINC000253398365 570096214 /nfs/dbraw/zinc/09/62/14/570096214.db2.gz HCUDAUURGAJLBF-PXPXVXOKSA-N 2 2 480.653 2.619 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](C2CCC2)CC3=O)CC1 ZINC000253398365 570096215 /nfs/dbraw/zinc/09/62/15/570096215.db2.gz HCUDAUURGAJLBF-PXPXVXOKSA-N 2 2 480.653 2.619 40 0 JFABLP COc1ccc([C@H]2C[N@H+](CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257201741 570108323 /nfs/dbraw/zinc/10/83/23/570108323.db2.gz AIWHZZAKDCNVLO-UBFVSLLYSA-N 2 2 450.583 2.548 40 0 JFABLP COc1ccc([C@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257201741 570108324 /nfs/dbraw/zinc/10/83/24/570108324.db2.gz AIWHZZAKDCNVLO-UBFVSLLYSA-N 2 2 450.583 2.548 40 0 JFABLP C[NH+](C)CCOc1cccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257243444 570121172 /nfs/dbraw/zinc/12/11/72/570121172.db2.gz IGZMVWFYDQKANR-DEOSSOPVSA-N 2 2 461.990 2.806 40 0 JFABLP C[NH+](C)CCOc1cccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257243444 570121173 /nfs/dbraw/zinc/12/11/73/570121173.db2.gz IGZMVWFYDQKANR-DEOSSOPVSA-N 2 2 461.990 2.806 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801616 195227182 /nfs/dbraw/zinc/22/71/82/195227182.db2.gz YSIUJLDNRJIBJY-NHCUHLMSSA-N 2 2 454.958 2.864 40 0 JFABLP O[C@H]1CC[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)O[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096296063 130051691 /nfs/dbraw/zinc/05/16/91/130051691.db2.gz WSWOCXZJXOJUMD-DOEKTCAHSA-N 2 2 477.609 2.633 40 0 biogenic,in-vitro JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000022537035 555933974 /nfs/dbraw/zinc/93/39/74/555933974.db2.gz NLPUQGOTWIWXIT-RTWAWAEBSA-N 2 2 454.958 2.864 40 0 JFABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@@H+](C)C1 ZINC000257203403 570108935 /nfs/dbraw/zinc/10/89/35/570108935.db2.gz APVWHGWOBZQWPK-RUZDIDTESA-N 2 2 452.530 2.729 40 0 JFABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC[N@H+](C)C1 ZINC000257203403 570108936 /nfs/dbraw/zinc/10/89/36/570108936.db2.gz APVWHGWOBZQWPK-RUZDIDTESA-N 2 2 452.530 2.729 40 0 JFABLP Cc1cccnc1C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257206966 570110057 /nfs/dbraw/zinc/11/00/57/570110057.db2.gz BFRDZTULWWUZKU-RUZDIDTESA-N 2 2 473.017 2.858 40 0 JFABLP Cc1cccnc1C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257206966 570110058 /nfs/dbraw/zinc/11/00/58/570110058.db2.gz BFRDZTULWWUZKU-RUZDIDTESA-N 2 2 473.017 2.858 40 0 JFABLP CC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000257224867 570115588 /nfs/dbraw/zinc/11/55/88/570115588.db2.gz FDTBILGAGNJLCO-MHZLTWQESA-N 2 2 478.593 2.745 40 0 JFABLP CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000257224867 570115589 /nfs/dbraw/zinc/11/55/89/570115589.db2.gz FDTBILGAGNJLCO-MHZLTWQESA-N 2 2 478.593 2.745 40 0 JFABLP C[NH+](C)CCOc1cccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257243445 570121129 /nfs/dbraw/zinc/12/11/29/570121129.db2.gz IGZMVWFYDQKANR-XMMPIXPASA-N 2 2 461.990 2.806 40 0 JFABLP C[NH+](C)CCOc1cccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257243445 570121130 /nfs/dbraw/zinc/12/11/30/570121130.db2.gz IGZMVWFYDQKANR-XMMPIXPASA-N 2 2 461.990 2.806 40 0 JFABLP FC(F)(F)Oc1cccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329000127 570181105 /nfs/dbraw/zinc/18/11/05/570181105.db2.gz JZYYJFFBOZDIRG-UHFFFAOYSA-N 2 2 451.493 2.985 40 0 JFABLP COc1cc(C[N@@H+]2C[C@@H](C[NH+](C)C)[C@]3(C2)CCc2ccccc2C(=O)N3)cc(OC)c1OC ZINC000057773932 195359773 /nfs/dbraw/zinc/35/97/73/195359773.db2.gz UHDLVXRZVDZTTC-FQRUVTKNSA-N 2 2 453.583 2.821 40 0 JFABLP COc1cc(C[N@H+]2C[C@@H](C[NH+](C)C)[C@]3(C2)CCc2ccccc2C(=O)N3)cc(OC)c1OC ZINC000057773932 195359775 /nfs/dbraw/zinc/35/97/75/195359775.db2.gz UHDLVXRZVDZTTC-FQRUVTKNSA-N 2 2 453.583 2.821 40 0 JFABLP CCOC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000022563386 555934806 /nfs/dbraw/zinc/93/48/06/555934806.db2.gz DGUNIMHUEMRFSJ-UHFFFAOYSA-N 2 2 456.612 2.669 40 0 JFABLP CCOC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000022563386 555934809 /nfs/dbraw/zinc/93/48/09/555934809.db2.gz DGUNIMHUEMRFSJ-UHFFFAOYSA-N 2 2 456.612 2.669 40 0 JFABLP CCc1[nH]c(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000257245165 570121637 /nfs/dbraw/zinc/12/16/37/570121637.db2.gz IOHYNHJBGUHHPC-VWLOTQADSA-N 2 2 490.048 2.748 40 0 JFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCCN(c4cc(N(C)C)[nH+]cn4)C3)cc2)n1 ZINC000257299305 570138178 /nfs/dbraw/zinc/13/81/78/570138178.db2.gz RPMUDLGHXCXTTQ-SANMLTNESA-N 2 2 479.629 2.556 40 0 JFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCCN(c4cc(N(C)C)nc[nH+]4)C3)cc2)n1 ZINC000257299305 570138180 /nfs/dbraw/zinc/13/81/80/570138180.db2.gz RPMUDLGHXCXTTQ-SANMLTNESA-N 2 2 479.629 2.556 40 0 JFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCCN(c4cc(N(C)C)[nH+]cn4)C3)cc2)n1 ZINC000257299304 570138220 /nfs/dbraw/zinc/13/82/20/570138220.db2.gz RPMUDLGHXCXTTQ-AREMUKBSSA-N 2 2 479.629 2.556 40 0 JFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCCN(c4cc(N(C)C)nc[nH+]4)C3)cc2)n1 ZINC000257299304 570138221 /nfs/dbraw/zinc/13/82/21/570138221.db2.gz RPMUDLGHXCXTTQ-AREMUKBSSA-N 2 2 479.629 2.556 40 0 JFABLP Cc1cncc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257304825 570139914 /nfs/dbraw/zinc/13/99/14/570139914.db2.gz SNHLGCRPTHXEMS-VWLOTQADSA-N 2 2 473.017 2.858 40 0 JFABLP Cc1cncc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257304825 570139915 /nfs/dbraw/zinc/13/99/15/570139915.db2.gz SNHLGCRPTHXEMS-VWLOTQADSA-N 2 2 473.017 2.858 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000257315556 570143186 /nfs/dbraw/zinc/14/31/86/570143186.db2.gz VBXLEWQBJNRRTG-XMMPIXPASA-N 2 2 458.990 2.549 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000257315556 570143187 /nfs/dbraw/zinc/14/31/87/570143187.db2.gz VBXLEWQBJNRRTG-XMMPIXPASA-N 2 2 458.990 2.549 40 0 JFABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801625 195227211 /nfs/dbraw/zinc/22/72/11/195227211.db2.gz YSIUJLDNRJIBJY-SFTDATJTSA-N 2 2 454.958 2.864 40 0 JFABLP C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc2Cl)CC1 ZINC000224507551 569946689 /nfs/dbraw/zinc/94/66/89/569946689.db2.gz CKXFLHUGUHNKKC-UHFFFAOYSA-N 2 2 491.057 2.802 40 0 JFABLP CC(C)C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[NH+](C)CC2)C(=O)C1 ZINC000253405103 570097090 /nfs/dbraw/zinc/09/70/90/570097090.db2.gz RTTJMJBCRVOBIV-JQWXVRPUSA-N 2 2 482.669 2.722 40 0 JFABLP CC(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[NH+](C)CC2)C(=O)C1 ZINC000253405103 570097092 /nfs/dbraw/zinc/09/70/92/570097092.db2.gz RTTJMJBCRVOBIV-JQWXVRPUSA-N 2 2 482.669 2.722 40 0 JFABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCn4nc(C)cc4C)cc3)C2)nc[nH+]1 ZINC000257312843 570142468 /nfs/dbraw/zinc/14/24/68/570142468.db2.gz UPUCEHUAWRIMSO-VWLOTQADSA-N 2 2 465.602 2.532 40 0 JFABLP CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCn4nc(C)cc4C)cc3)C2)[nH+]cn1 ZINC000257312843 570142469 /nfs/dbraw/zinc/14/24/69/570142469.db2.gz UPUCEHUAWRIMSO-VWLOTQADSA-N 2 2 465.602 2.532 40 0 JFABLP CC[C@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328992545 570180756 /nfs/dbraw/zinc/18/07/56/570180756.db2.gz IWPYLGFTDOYECK-INIZCTEOSA-N 2 2 452.525 2.756 40 0 JFABLP CC(C)[C@@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023904 570182201 /nfs/dbraw/zinc/18/22/01/570182201.db2.gz OWFPVDTXRUZJEY-HXUWFJFHSA-N 2 2 482.551 3.130 40 0 JFABLP O=C(Nc1ccc(NC2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)cc2)cc1 ZINC000001684441 194131444 /nfs/dbraw/zinc/13/14/44/194131444.db2.gz HNIHDEWKXWMRLL-UHFFFAOYSA-N 2 2 482.548 2.933 40 0 JFABLP CC[NH+](CC)CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000006193098 520620422 /nfs/dbraw/zinc/62/04/22/520620422.db2.gz YJVPTEIDPLAILH-UHFFFAOYSA-N 2 2 473.687 2.577 40 0 JFABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012482524 555985774 /nfs/dbraw/zinc/98/57/74/555985774.db2.gz OCQKLLHIAGFABV-VXKWHMMOSA-N 3 2 466.630 2.563 40 0 biogenic,in-vitro JFABLP S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1 ZINC000008636248 565101584 /nfs/dbraw/zinc/10/15/84/565101584.db2.gz FIZWHXXPXLOYTB-QNWVGRARSA-N 2 2 453.656 2.776 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c2)CC1 ZINC000224842323 569959899 /nfs/dbraw/zinc/95/98/99/569959899.db2.gz FHCUEQOWRVQKNA-UHFFFAOYSA-N 2 2 470.639 2.539 40 0 JFABLP CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cccc(Cn3cc[nH+]c3)c1)C2 ZINC000257213299 570112051 /nfs/dbraw/zinc/11/20/51/570112051.db2.gz CGYUQSPQXFQDQQ-SLQPCKNISA-N 2 2 457.578 2.955 40 0 JFABLP C[N@H+](Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000257320694 570144641 /nfs/dbraw/zinc/14/46/41/570144641.db2.gz VYCFDZNAYONLSN-ZXMXYHOLSA-N 2 2 472.948 2.873 40 0 JFABLP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000257320694 570144642 /nfs/dbraw/zinc/14/46/42/570144642.db2.gz VYCFDZNAYONLSN-ZXMXYHOLSA-N 2 2 472.948 2.873 40 0 JFABLP CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257322178 570145126 /nfs/dbraw/zinc/14/51/26/570145126.db2.gz WEWOSIBBYBHMIJ-UGKGYDQZSA-N 2 2 488.032 2.559 40 0 JFABLP CCn1cc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332008 570148072 /nfs/dbraw/zinc/14/80/72/570148072.db2.gz XVIUTFXYGRMAQK-VWLOTQADSA-N 2 2 490.048 2.679 40 0 JFABLP CCn1cc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257332008 570148073 /nfs/dbraw/zinc/14/80/73/570148073.db2.gz XVIUTFXYGRMAQK-VWLOTQADSA-N 2 2 490.048 2.679 40 0 JFABLP COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)Cc2ccccc2)nn1 ZINC000008299002 565093421 /nfs/dbraw/zinc/09/34/21/565093421.db2.gz CBZGBAXJLMNPOD-RCXJIHSJSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP COc1ccccc1CNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2Cn1cc(C[N@H+](C)Cc2ccccc2)nn1 ZINC000008299002 565093424 /nfs/dbraw/zinc/09/34/24/565093424.db2.gz CBZGBAXJLMNPOD-RCXJIHSJSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP COc1ccccc1CNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2Cn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000008299002 565093428 /nfs/dbraw/zinc/09/34/28/565093428.db2.gz CBZGBAXJLMNPOD-RCXJIHSJSA-N 2 2 488.636 2.946 40 0 biogenic,in-vitro JFABLP C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC000224688099 569953609 /nfs/dbraw/zinc/95/36/09/569953609.db2.gz QOEYSMYIYNGEHX-UHFFFAOYSA-N 2 2 470.639 2.539 40 0 JFABLP Cc1[nH+]c2cc(NC(=O)CN3CC[C@@]4(CCC[N@@H+]4CCc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257220470 570114329 /nfs/dbraw/zinc/11/43/29/570114329.db2.gz DKYMLIPLLPYNNY-BDYUSTAISA-N 2 2 461.610 2.964 40 0 JFABLP Cc1[nH+]c2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4CCc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257220470 570114331 /nfs/dbraw/zinc/11/43/31/570114331.db2.gz DKYMLIPLLPYNNY-BDYUSTAISA-N 2 2 461.610 2.964 40 0 JFABLP C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000257228090 570116468 /nfs/dbraw/zinc/11/64/68/570116468.db2.gz FSGGMVLKZAIAEK-VWLOTQADSA-N 2 2 488.032 2.779 40 0 JFABLP COc1ccc(C[N@@H+]2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c(OC)c1OC ZINC000257300159 570138476 /nfs/dbraw/zinc/13/84/76/570138476.db2.gz RTDQORSKRQKULG-WOJBJXKFSA-N 2 2 455.603 2.880 40 0 JFABLP COc1ccc(C[N@H+]2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c(OC)c1OC ZINC000257300159 570138478 /nfs/dbraw/zinc/13/84/78/570138478.db2.gz RTDQORSKRQKULG-WOJBJXKFSA-N 2 2 455.603 2.880 40 0 JFABLP CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000257334135 570148875 /nfs/dbraw/zinc/14/88/75/570148875.db2.gz YERONJNMEQIBOC-ZXMXYHOLSA-N 2 2 458.578 2.846 40 0 JFABLP CC(C)[C@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023899 570182244 /nfs/dbraw/zinc/18/22/44/570182244.db2.gz OWFPVDTXRUZJEY-FQEVSTJZSA-N 2 2 482.551 3.130 40 0 JFABLP