smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012802785 195140274 /nfs/dbraw/zinc/14/02/74/195140274.db2.gz OBOWKCWJTQQSJA-FQEVSTJZSA-N 1 1 483.656 2.089 50 0 JEAAMO COc1cc(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000020675147 195200103 /nfs/dbraw/zinc/20/01/03/195200103.db2.gz IBHPCZMSYWFDCF-UHFFFAOYSA-N 1 1 457.527 2.417 50 0 JEAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000020676073 195200858 /nfs/dbraw/zinc/20/08/58/195200858.db2.gz KRVKUAOWCHFAIM-UHFFFAOYSA-N 1 1 485.592 2.264 50 0 JEAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 ZINC000020682105 195204152 /nfs/dbraw/zinc/20/41/52/195204152.db2.gz UOMCALHXMAITFM-UHFFFAOYSA-N 1 1 482.002 2.387 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020765850 195221000 /nfs/dbraw/zinc/22/10/00/195221000.db2.gz NSKJKSMUFRCYBR-UHFFFAOYSA-N 1 1 458.024 2.263 50 0 JEAAMO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([N@H+](C)Cc4nonc4C)CC3)cc2)CC1 ZINC000020784460 195225287 /nfs/dbraw/zinc/22/52/87/195225287.db2.gz DQTJRKQHZSNHKN-UHFFFAOYSA-N 1 1 470.574 2.393 50 0 JEAAMO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)Cc4nonc4C)CC3)cc2)CC1 ZINC000020784460 195225291 /nfs/dbraw/zinc/22/52/91/195225291.db2.gz DQTJRKQHZSNHKN-UHFFFAOYSA-N 1 1 470.574 2.393 50 0 JEAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c2ccccc2O1 ZINC000020902391 195241652 /nfs/dbraw/zinc/24/16/52/195241652.db2.gz ONSCBFQSZUHYOC-OAQYLSRUSA-N 1 1 457.619 2.250 50 0 JEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000020907439 195245336 /nfs/dbraw/zinc/24/53/36/195245336.db2.gz UGEXNLLGGPDWLJ-UHFFFAOYSA-N 1 1 469.517 2.431 50 0 JEAAMO O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020856401 195232005 /nfs/dbraw/zinc/23/20/05/195232005.db2.gz NOJJYNHCBDXZRJ-IBGZPJMESA-N 1 1 471.608 2.189 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)CC1 ZINC000020924097 195248857 /nfs/dbraw/zinc/24/88/57/195248857.db2.gz PFFLQJPXWPAEOQ-HXUWFJFHSA-N 1 1 456.591 2.105 50 0 JEAAMO Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)N1CC[NH+](C3CCCCC3)CC1)OCC(=O)N2 ZINC000020930159 195251091 /nfs/dbraw/zinc/25/10/91/195251091.db2.gz NDCVIPGQWUIVPD-KRWDZBQOSA-N 1 1 463.600 2.355 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000020996140 195264608 /nfs/dbraw/zinc/26/46/08/195264608.db2.gz RYCRGRKCYXMKNG-OAQYLSRUSA-N 1 1 467.566 2.391 50 0 JEAAMO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)sc2n1 ZINC000021148440 195281885 /nfs/dbraw/zinc/28/18/85/195281885.db2.gz WJMOWNXNHHIDHI-LJQANCHMSA-N 1 1 454.600 2.314 50 0 JEAAMO O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057996216 195361663 /nfs/dbraw/zinc/36/16/63/195361663.db2.gz MIAJVMFNSYRJNP-UHFFFAOYSA-N 1 1 464.957 2.470 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)c12 ZINC000058087305 195364587 /nfs/dbraw/zinc/36/45/87/195364587.db2.gz DWIIQIIIUCOEFY-WMZOPIPTSA-N 1 1 459.616 2.437 50 0 JEAAMO COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000096495046 130106618 /nfs/dbraw/zinc/10/66/18/130106618.db2.gz IZFIAXDWSHHBGF-UHFFFAOYSA-N 1 1 450.583 2.234 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000035286896 518729390 /nfs/dbraw/zinc/72/93/90/518729390.db2.gz RQKJOXYVKUMWOW-FQEVSTJZSA-N 1 1 458.603 2.044 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000035286896 518729396 /nfs/dbraw/zinc/72/93/96/518729396.db2.gz RQKJOXYVKUMWOW-FQEVSTJZSA-N 1 1 458.603 2.044 50 0 JEAAMO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000033600045 520490362 /nfs/dbraw/zinc/49/03/62/520490362.db2.gz AHOLTXKTQPBALG-OWFGXHLJSA-N 1 1 492.601 2.143 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC[N@@H+](C)CCc1ccccc1)cn2C ZINC000004436141 520813962 /nfs/dbraw/zinc/81/39/62/520813962.db2.gz JUDMGADFXQPHCI-UHFFFAOYSA-N 1 1 498.649 2.473 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)CC1 ZINC000033269699 521661987 /nfs/dbraw/zinc/66/19/87/521661987.db2.gz IAVOYHGCPKRTSB-UHFFFAOYSA-N 1 1 487.626 2.487 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)C2)CC1 ZINC000035482252 521680831 /nfs/dbraw/zinc/68/08/31/521680831.db2.gz NEYTXEXYDVUZHV-NRFANRHFSA-N 1 1 489.661 2.193 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000014880449 522015835 /nfs/dbraw/zinc/01/58/35/522015835.db2.gz UDUYJRRMADCCTO-JXMROGBWSA-N 1 1 463.538 2.392 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CC[N@H+](C/C=C/c1ccccc1)CC2 ZINC000014880449 522015848 /nfs/dbraw/zinc/01/58/48/522015848.db2.gz UDUYJRRMADCCTO-JXMROGBWSA-N 1 1 463.538 2.392 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](Cc1sccc1C)CC2 ZINC000020452478 522016842 /nfs/dbraw/zinc/01/68/42/522016842.db2.gz QCIULJHNUAIYAC-UHFFFAOYSA-N 1 1 455.584 2.302 50 0 JEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)o1 ZINC000014989179 522961225 /nfs/dbraw/zinc/96/12/25/522961225.db2.gz ORPBCJAHSUOKQY-QGZVFWFLSA-N 1 1 481.553 2.413 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)Cc3ccsc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000012244549 523316660 /nfs/dbraw/zinc/31/66/60/523316660.db2.gz SMNYUEFKRYVABA-QFIPXVFZSA-N 1 1 470.639 2.224 50 0 JEAAMO CCn1cc(C[N@H+]2CCc3c(C(=O)OC)c(OCc4cccnc4)cc(=O)n3CC2)c(C)n1 ZINC000020450408 523374612 /nfs/dbraw/zinc/37/46/12/523374612.db2.gz RPVHYQTZORHWJI-UHFFFAOYSA-N 1 1 451.527 2.192 50 0 JEAAMO CCn1cc(C[N@@H+]2CCc3c(C(=O)OC)c(OCc4cccnc4)cc(=O)n3CC2)c(C)n1 ZINC000020450408 523374619 /nfs/dbraw/zinc/37/46/19/523374619.db2.gz RPVHYQTZORHWJI-UHFFFAOYSA-N 1 1 451.527 2.192 50 0 JEAAMO COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000014981463 523760592 /nfs/dbraw/zinc/76/05/92/523760592.db2.gz XZVCUCODKSVZKV-XMMPIXPASA-N 1 1 491.592 2.483 50 0 JEAAMO COC(=O)[C@@](NCCC[NH+]1CCOCC1)(NC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000020468055 523827790 /nfs/dbraw/zinc/82/77/90/523827790.db2.gz ZCFAKVGLXSELTM-OAQYLSRUSA-N 1 1 459.509 2.457 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000033053192 523899307 /nfs/dbraw/zinc/89/93/07/523899307.db2.gz JBDLVPNNPMIFEC-UHFFFAOYSA-N 1 1 491.702 2.219 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014954647 523947001 /nfs/dbraw/zinc/94/70/01/523947001.db2.gz XAFYQQRKZHGYGX-OAQYLSRUSA-N 1 1 495.576 2.018 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014954647 523947005 /nfs/dbraw/zinc/94/70/05/523947005.db2.gz XAFYQQRKZHGYGX-OAQYLSRUSA-N 1 1 495.576 2.018 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(OC)c1OC ZINC000014881844 524039729 /nfs/dbraw/zinc/03/97/29/524039729.db2.gz MYDGHLKNCCJPAR-UHFFFAOYSA-N 1 1 480.569 2.006 50 0 JEAAMO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(Cl)c1OC ZINC000014882915 524039867 /nfs/dbraw/zinc/03/98/67/524039867.db2.gz RPRRUIMYSFROGV-UHFFFAOYSA-N 1 1 456.934 2.332 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(Cl)c1OC ZINC000014882915 524039868 /nfs/dbraw/zinc/03/98/68/524039868.db2.gz RPRRUIMYSFROGV-UHFFFAOYSA-N 1 1 456.934 2.332 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3nn4c(nc5c(c4=O)CCCC5)s3)CC2)C1 ZINC000021664215 524223818 /nfs/dbraw/zinc/22/38/18/524223818.db2.gz DOLPKILLNVUBTD-QGZVFWFLSA-N 1 1 472.659 2.484 50 0 JEAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022791518 524259068 /nfs/dbraw/zinc/25/90/68/524259068.db2.gz MXQOYECMWHMQGC-INIZCTEOSA-N 1 1 466.991 2.011 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000045945235 524313971 /nfs/dbraw/zinc/31/39/71/524313971.db2.gz XPZDVJQQRWKKNU-QFIPXVFZSA-N 1 1 464.676 2.299 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000045945235 524313977 /nfs/dbraw/zinc/31/39/77/524313977.db2.gz XPZDVJQQRWKKNU-QFIPXVFZSA-N 1 1 464.676 2.299 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c(C)c1 ZINC000045945093 524314550 /nfs/dbraw/zinc/31/45/50/524314550.db2.gz TVMBRMZFUQFCKU-UHFFFAOYSA-N 1 1 464.676 2.300 50 0 JEAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5cccnc5n(C)c4=O)CC3)C2)cc1 ZINC000033259103 524467238 /nfs/dbraw/zinc/46/72/38/524467238.db2.gz NXFKXLVAYDXSEQ-NRFANRHFSA-N 1 1 474.609 2.492 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945504 525511461 /nfs/dbraw/zinc/51/14/61/525511461.db2.gz HKVTWHOAXZMTKR-OYRHEFFESA-N 1 1 450.649 2.071 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945504 525511469 /nfs/dbraw/zinc/51/14/69/525511469.db2.gz HKVTWHOAXZMTKR-OYRHEFFESA-N 1 1 450.649 2.071 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000045945438 525511591 /nfs/dbraw/zinc/51/15/91/525511591.db2.gz WZBOSHKFGGPVED-BGYRXZFFSA-N 1 1 464.676 2.094 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000045945438 525511602 /nfs/dbraw/zinc/51/16/02/525511602.db2.gz WZBOSHKFGGPVED-BGYRXZFFSA-N 1 1 464.676 2.094 50 0 JEAAMO CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000033028365 525594930 /nfs/dbraw/zinc/59/49/30/525594930.db2.gz ARBCOWYRFCGLKH-KXBFYZLASA-N 1 1 494.054 2.202 50 0 JEAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000020416998 525991149 /nfs/dbraw/zinc/99/11/49/525991149.db2.gz SLCMZTNCOKJGFY-UHFFFAOYSA-N 1 1 451.571 2.423 50 0 JEAAMO Cc1c2cnn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417687 525994252 /nfs/dbraw/zinc/99/42/52/525994252.db2.gz GWTYPOFJDWQEBN-UHFFFAOYSA-N 1 1 471.989 2.355 50 0 JEAAMO Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267354 526305102 /nfs/dbraw/zinc/30/51/02/526305102.db2.gz IKLBHQAEOSCPDU-HXUWFJFHSA-N 1 1 489.580 2.081 50 0 JEAAMO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000020356816 526460935 /nfs/dbraw/zinc/46/09/35/526460935.db2.gz KDGRDHOQYYEANU-IWAYRVGRSA-N 1 1 464.613 2.390 50 0 JEAAMO c1ccc(CN2CCc3c(sc4c3c(NCCC[NH+]3CCOCC3)nc3nnnn34)C2)cc1 ZINC000020517449 526471296 /nfs/dbraw/zinc/47/12/96/526471296.db2.gz HMWRPBDXVZRKCE-UHFFFAOYSA-N 1 1 464.599 2.427 50 0 JEAAMO Cn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(=O)c21 ZINC000008610773 527110388 /nfs/dbraw/zinc/11/03/88/527110388.db2.gz LSWUAYMNJOSKKQ-UHFFFAOYSA-N 1 1 476.556 2.356 50 0 JEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OCCO)cc2Br)N1)OCCCO4 ZINC000012507683 527138239 /nfs/dbraw/zinc/13/82/39/527138239.db2.gz TZZDPGQLDGXSLT-GOSISDBHSA-N 1 1 474.315 2.428 50 0 JEAAMO O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014951361 527368319 /nfs/dbraw/zinc/36/83/19/527368319.db2.gz FKJLOCCMIMAHEH-UHFFFAOYSA-N 1 1 469.542 2.015 50 0 JEAAMO CCN(C(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002651737 554267741 /nfs/dbraw/zinc/26/77/41/554267741.db2.gz OFSBIVDTOAPPQV-UHFFFAOYSA-N 1 1 487.507 2.253 50 0 JEAAMO CCN(C(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002651737 554267743 /nfs/dbraw/zinc/26/77/43/554267743.db2.gz OFSBIVDTOAPPQV-UHFFFAOYSA-N 1 1 487.507 2.253 50 0 JEAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008940490 554831791 /nfs/dbraw/zinc/83/17/91/554831791.db2.gz JYNSOJDENSDQCQ-INIZCTEOSA-N 1 1 499.559 2.007 50 0 JEAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008940490 554831793 /nfs/dbraw/zinc/83/17/93/554831793.db2.gz JYNSOJDENSDQCQ-INIZCTEOSA-N 1 1 499.559 2.007 50 0 JEAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccccc2)CC1 ZINC000009492655 555273090 /nfs/dbraw/zinc/27/30/90/555273090.db2.gz ZVBFENHLSXUSOD-UHFFFAOYSA-N 1 1 472.611 2.031 50 0 JEAAMO CN1CCN(S(=O)(=O)c2ccc(N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2)CC1 ZINC000009639631 555349146 /nfs/dbraw/zinc/34/91/46/555349146.db2.gz ICLQGQLPNSDMRT-UHFFFAOYSA-N 1 1 464.035 2.383 50 0 JEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727386 555461083 /nfs/dbraw/zinc/46/10/83/555461083.db2.gz UJHPJKLKMHJLJN-LJQANCHMSA-N 1 1 452.559 2.337 50 0 JEAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000019839784 555508202 /nfs/dbraw/zinc/50/82/02/555508202.db2.gz UJHJNRCUJIPHAC-UHFFFAOYSA-N 1 1 495.580 2.100 50 0 JEAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000019839784 555508206 /nfs/dbraw/zinc/50/82/06/555508206.db2.gz UJHJNRCUJIPHAC-UHFFFAOYSA-N 1 1 495.580 2.100 50 0 JEAAMO C[NH+]1CCN(C(=O)CN2CCN(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000013735993 555606100 /nfs/dbraw/zinc/60/61/00/555606100.db2.gz GDKNPMFQBJGYCI-UHFFFAOYSA-N 1 1 463.957 2.447 50 0 JEAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114198 555651675 /nfs/dbraw/zinc/65/16/75/555651675.db2.gz QOUNADHOEDLQMX-PKTZIBPZSA-N 1 1 486.638 2.430 50 0 JEAAMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014184276 555725438 /nfs/dbraw/zinc/72/54/38/555725438.db2.gz JERXIAWSBQTJMO-HNNXBMFYSA-N 1 1 497.543 2.238 50 0 JEAAMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014184276 555725442 /nfs/dbraw/zinc/72/54/42/555725442.db2.gz JERXIAWSBQTJMO-HNNXBMFYSA-N 1 1 497.543 2.238 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)cc1 ZINC000014233405 555738505 /nfs/dbraw/zinc/73/85/05/555738505.db2.gz MXFNAKSJVPCXBA-HXUWFJFHSA-N 1 1 479.643 2.247 50 0 JEAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)CCCc1ccc(Cl)cc1)C2 ZINC000014539742 555829653 /nfs/dbraw/zinc/82/96/53/555829653.db2.gz SEUJYFUWFCIQFE-UHFFFAOYSA-N 1 1 488.032 2.433 50 0 JEAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccncc3)C2)CC1 ZINC000014747635 555839376 /nfs/dbraw/zinc/83/93/76/555839376.db2.gz TUDPBYOXPJMXDM-HSZRJFAPSA-N 1 1 474.602 2.159 50 0 JEAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccncc3)C2)CC1 ZINC000014747635 555839378 /nfs/dbraw/zinc/83/93/78/555839378.db2.gz TUDPBYOXPJMXDM-HSZRJFAPSA-N 1 1 474.602 2.159 50 0 JEAAMO CCCc1nn(C)c2c1nc(-c1cc(C(=O)CN3CC[NH+](CC)CC3)ccc1OCC)[nH]c2=O ZINC000021981372 555859293 /nfs/dbraw/zinc/85/92/93/555859293.db2.gz RRBRQNALHKQCAI-UHFFFAOYSA-N 1 1 466.586 2.495 50 0 in-vitro JEAAMO CC(=O)Nc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000015068590 555868804 /nfs/dbraw/zinc/86/88/04/555868804.db2.gz SAYXPZCLELJCGE-UHFFFAOYSA-N 1 1 450.518 2.293 50 0 JEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)N(CC=C(C)C)C2)nn1 ZINC000011967083 555872225 /nfs/dbraw/zinc/87/22/25/555872225.db2.gz XDDRTAQVKGXPEC-MPJJRAAHSA-N 1 1 458.607 2.027 50 0 JEAAMO COc1ccc(CCN2C[C@H](C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2=O)cc1OC ZINC000022089181 555872861 /nfs/dbraw/zinc/87/28/61/555872861.db2.gz WPMGVUBWFNEEMH-OAQYLSRUSA-N 1 1 473.614 2.246 50 0 JEAAMO CCc1ccc([C@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)[NH+](C)C)cc1 ZINC000011997801 555880015 /nfs/dbraw/zinc/88/00/15/555880015.db2.gz OHFLNPIYVRGKSM-FQEVSTJZSA-N 1 1 479.624 2.205 50 0 JEAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000022239309 555895152 /nfs/dbraw/zinc/89/51/52/555895152.db2.gz LXGYPUCTDUSZAJ-UHFFFAOYSA-N 1 1 486.638 2.496 50 0 JEAAMO O=C(CSc1nn2c(nc3c(c2=O)C[N@H+](C[C@@H]2CCCO2)CC3)s1)N1CCCCCC1 ZINC000015414346 555906042 /nfs/dbraw/zinc/90/60/42/555906042.db2.gz JSCNRMNLNDMGBP-HNNXBMFYSA-N 1 1 463.629 2.183 50 0 JEAAMO O=C(CSc1nn2c(nc3c(c2=O)C[N@@H+](C[C@@H]2CCCO2)CC3)s1)N1CCCCCC1 ZINC000015414346 555906047 /nfs/dbraw/zinc/90/60/47/555906047.db2.gz JSCNRMNLNDMGBP-HNNXBMFYSA-N 1 1 463.629 2.183 50 0 JEAAMO O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([N@H+]3CCCN(c4ncccn4)CC3)CC2)cc1 ZINC000012152445 555926285 /nfs/dbraw/zinc/92/62/85/555926285.db2.gz BFVDKUAWJUPURR-DEOSSOPVSA-N 1 1 491.640 2.056 50 0 JEAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012158547 555929205 /nfs/dbraw/zinc/92/92/05/555929205.db2.gz PHMZRJAVICTIRZ-VWLOTQADSA-N 1 1 483.519 2.448 50 0 JEAAMO COc1ccc(-n2ccn3c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)nnc3c2=O)cc1 ZINC000015736447 555983441 /nfs/dbraw/zinc/98/34/41/555983441.db2.gz LGRJZEXYDWLKET-UHFFFAOYSA-N 1 1 472.549 2.166 50 0 JEAAMO COc1ccc(C[N@H+]2CCCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 ZINC000023007557 555999506 /nfs/dbraw/zinc/99/95/06/555999506.db2.gz IPXPSRXAUCZBAX-UHFFFAOYSA-N 1 1 459.612 2.424 50 0 JEAAMO CCCCN(C(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023077927 556005510 /nfs/dbraw/zinc/00/55/10/556005510.db2.gz UGJVQNUWUMIVNA-UHFFFAOYSA-N 1 1 484.645 2.116 50 0 JEAAMO CSc1nc2nc(C)c(CCC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000023194177 556030177 /nfs/dbraw/zinc/03/01/77/556030177.db2.gz XDDWHDAWPNMRPY-UHFFFAOYSA-N 1 1 453.616 2.334 50 0 JEAAMO O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868816 556046722 /nfs/dbraw/zinc/04/67/22/556046722.db2.gz CIEZMGBUTNJXEA-UHFFFAOYSA-N 1 1 464.053 2.289 50 0 JEAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000023354940 556048406 /nfs/dbraw/zinc/04/84/06/556048406.db2.gz UDSNBBSMNUHTSM-UHFFFAOYSA-N 1 1 486.638 2.162 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccco2)cc1 ZINC000023846442 556092029 /nfs/dbraw/zinc/09/20/29/556092029.db2.gz HUSGHDZOTCJQLY-FQEVSTJZSA-N 1 1 461.584 2.102 50 0 JEAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016010196 556109830 /nfs/dbraw/zinc/10/98/30/556109830.db2.gz IELZRDWZZNFRMY-RKSLUDBYSA-N 1 1 460.317 2.295 50 0 JEAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4Cl)C(=O)[C@H]31)C(=O)N2 ZINC000016012783 556111730 /nfs/dbraw/zinc/11/17/30/556111730.db2.gz REEZZPMNYMBZSP-XITLKHQFSA-N 1 1 487.343 2.098 50 0 JEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016033759 556117913 /nfs/dbraw/zinc/11/79/13/556117913.db2.gz BDQOOIWUMIKDSI-XITLKHQFSA-N 1 1 487.343 2.098 50 0 JEAAMO COC(=O)c1sc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(C(=O)OC)c1C ZINC000012919147 556138272 /nfs/dbraw/zinc/13/82/72/556138272.db2.gz RCVGBQLFTCOCOK-UHFFFAOYSA-N 1 1 481.962 2.224 50 0 JEAAMO COc1ccc(OCC[N@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000025053238 556175516 /nfs/dbraw/zinc/17/55/16/556175516.db2.gz GPDJOCYRJMBTJZ-UHFFFAOYSA-N 1 1 461.584 2.236 50 0 JEAAMO COc1ccc(OCC[N@@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000025053238 556175519 /nfs/dbraw/zinc/17/55/19/556175519.db2.gz GPDJOCYRJMBTJZ-UHFFFAOYSA-N 1 1 461.584 2.236 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016992913 556196675 /nfs/dbraw/zinc/19/66/75/556196675.db2.gz UACGCUXWZBBZAV-SFHVURJKSA-N 1 1 453.568 2.154 50 0 JEAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 ZINC000016992831 556196705 /nfs/dbraw/zinc/19/67/05/556196705.db2.gz QQFXAFLKNSVMKU-SFHVURJKSA-N 1 1 483.594 2.163 50 0 JEAAMO COc1ccc(OC)c(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CC[N@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027739 556207322 /nfs/dbraw/zinc/20/73/22/556207322.db2.gz ZVNSXYMNHKFIFK-YKSBVNFPSA-N 1 1 450.495 2.490 50 0 JEAAMO COc1ccc(OC)c(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027739 556207325 /nfs/dbraw/zinc/20/73/25/556207325.db2.gz ZVNSXYMNHKFIFK-YKSBVNFPSA-N 1 1 450.495 2.490 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000013075560 556277154 /nfs/dbraw/zinc/27/71/54/556277154.db2.gz RUHMJXCEDKYTDK-QHCPKHFHSA-N 1 1 488.610 2.247 50 0 JEAAMO O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000013109820 556310054 /nfs/dbraw/zinc/31/00/54/556310054.db2.gz WZYLOEKHJGHYSD-KRWDZBQOSA-N 1 1 463.522 2.087 50 0 JEAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc(OC)c1 ZINC000019301027 556339269 /nfs/dbraw/zinc/33/92/69/556339269.db2.gz CGSSPLLFIRRBJK-UHFFFAOYSA-N 1 1 453.518 2.352 50 0 JEAAMO COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000019790798 556370396 /nfs/dbraw/zinc/37/03/96/556370396.db2.gz OSKCRDAOUYGKLM-QFIPXVFZSA-N 1 1 452.555 2.476 50 0 JEAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)ccc1F ZINC000019797178 556374913 /nfs/dbraw/zinc/37/49/13/556374913.db2.gz GIIOHVYOXYGJNX-SFTDATJTSA-N 1 1 450.557 2.387 50 0 JEAAMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C[C@H]1COc2ccccc2O1 ZINC000031174187 556394150 /nfs/dbraw/zinc/39/41/50/556394150.db2.gz FKXLGIHYFBPUGZ-SFHVURJKSA-N 1 1 494.013 2.335 50 0 JEAAMO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C[C@H]1COc2ccccc2O1 ZINC000031174187 556394153 /nfs/dbraw/zinc/39/41/53/556394153.db2.gz FKXLGIHYFBPUGZ-SFHVURJKSA-N 1 1 494.013 2.335 50 0 JEAAMO COc1cc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc(OC)c1OC ZINC000032032201 556412891 /nfs/dbraw/zinc/41/28/91/556412891.db2.gz YRHIQRKRIHOJJY-LJQANCHMSA-N 1 1 453.539 2.410 50 0 JEAAMO COc1ccc(-c2noc(CN3CC[NH+](C[C@@H](O)COCc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000032900892 556528360 /nfs/dbraw/zinc/52/83/60/556528360.db2.gz GPHDAUKTSQGMQZ-HXUWFJFHSA-N 1 1 482.537 2.169 50 0 JEAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000032935177 556550472 /nfs/dbraw/zinc/55/04/72/556550472.db2.gz BDARXQUNTPIWIM-UHFFFAOYSA-N 1 1 492.573 2.426 50 0 JEAAMO CCOc1ccc(N2C[C@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925361 569592456 /nfs/dbraw/zinc/59/24/56/569592456.db2.gz GAJYDEPOEDJVTR-HXUWFJFHSA-N 1 1 451.571 2.312 50 0 JEAAMO CCOc1ccc(N2C[C@@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925362 569592521 /nfs/dbraw/zinc/59/25/21/569592521.db2.gz GAJYDEPOEDJVTR-FQEVSTJZSA-N 1 1 451.571 2.312 50 0 JEAAMO COC(=O)c1cc(NC(=O)C[NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)cc(C(=O)OC)c1 ZINC000008694522 569593143 /nfs/dbraw/zinc/59/31/43/569593143.db2.gz MMEYSIFCVVBQMP-UHFFFAOYSA-N 1 1 484.538 2.250 50 0 JEAAMO Cc1ccccc1Cn1c(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952619 569593264 /nfs/dbraw/zinc/59/32/64/569593264.db2.gz AGZOPFFQIAPWLW-UHFFFAOYSA-N 1 1 462.529 2.241 50 0 JEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008706847 569594551 /nfs/dbraw/zinc/59/45/51/569594551.db2.gz UBIMGMLFFFVTSY-FQEVSTJZSA-N 1 1 478.659 2.302 50 0 JEAAMO OC[C@@H](c1ccc2c(c1)OCO2)[N@@H+](CCc1nnc2ccccn21)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000062577279 569611588 /nfs/dbraw/zinc/61/15/88/569611588.db2.gz WXKPJYMZBOBKQH-PMACEKPBSA-N 1 1 490.516 2.498 50 0 JEAAMO Cn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000033006632 569614854 /nfs/dbraw/zinc/61/48/54/569614854.db2.gz NHMOAVATBYQESN-UHFFFAOYSA-N 1 1 469.586 2.493 50 0 JEAAMO Cc1nnc2ccc(N3CCC(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)CC3)nn12 ZINC000033009995 569616457 /nfs/dbraw/zinc/61/64/57/569616457.db2.gz KXQVBBXDYCVKJW-UHFFFAOYSA-N 1 1 483.020 2.241 50 0 JEAAMO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000033014194 569617964 /nfs/dbraw/zinc/61/79/64/569617964.db2.gz SQMIKKFAASFEDW-UHFFFAOYSA-N 1 1 472.546 2.002 50 0 JEAAMO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000033023973 569619754 /nfs/dbraw/zinc/61/97/54/569619754.db2.gz BXHBNGAHFALBNL-KRWDZBQOSA-N 1 1 450.609 2.013 50 0 JEAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)C[C@H]2C)c1 ZINC000033269428 569621919 /nfs/dbraw/zinc/62/19/19/569621919.db2.gz JTBCWSXAJWVRPD-JOCHJYFZSA-N 1 1 487.670 2.325 50 0 JEAAMO O=C(c1ccc(Br)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000064605598 569622696 /nfs/dbraw/zinc/62/26/96/569622696.db2.gz BBKXFJIXGXHZLU-UHFFFAOYSA-N 1 1 458.422 2.459 50 0 JEAAMO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)s2)cnc1N1CC[NH2+]CC1 ZINC000065025207 569650374 /nfs/dbraw/zinc/65/03/74/569650374.db2.gz BCYHAIPSTGSSFG-UHFFFAOYSA-N 1 1 488.433 2.256 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036119 569652981 /nfs/dbraw/zinc/65/29/81/569652981.db2.gz PQPWXKMUVCGUHN-QGZVFWFLSA-N 1 1 495.671 2.000 50 0 JEAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062175 569655813 /nfs/dbraw/zinc/65/58/13/569655813.db2.gz AUKMFASQRWGNST-OAHLLOKOSA-N 1 1 464.053 2.277 50 0 JEAAMO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)n3)c2c1 ZINC000065111762 569664698 /nfs/dbraw/zinc/66/46/98/569664698.db2.gz IHLJQHLVCCJWSE-UHFFFAOYSA-N 1 1 494.527 2.415 50 0 JEAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000034890334 569669379 /nfs/dbraw/zinc/66/93/79/569669379.db2.gz JVYMFSNCEFYBMV-RXFWQSSRSA-N 1 1 477.565 2.312 50 0 JEAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000034890334 569669381 /nfs/dbraw/zinc/66/93/81/569669381.db2.gz JVYMFSNCEFYBMV-RXFWQSSRSA-N 1 1 477.565 2.312 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000035401590 569691018 /nfs/dbraw/zinc/69/10/18/569691018.db2.gz XCNALFJAZQSXKE-VXKWHMMOSA-N 1 1 464.676 2.379 50 0 JEAAMO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1cccc(Br)c1)N1CCNCC1 ZINC000035422062 569692481 /nfs/dbraw/zinc/69/24/81/569692481.db2.gz CNAQOGJBTBRRMV-UHFFFAOYSA-N 1 1 451.409 2.199 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)C1 ZINC000035454994 569697653 /nfs/dbraw/zinc/69/76/53/569697653.db2.gz LSKUGMXZXVZTSL-QGZVFWFLSA-N 1 1 494.683 2.239 50 0 JEAAMO CCOC(=O)[C@@H](N)Cc1cc(I)c(O)c(I)c1 ZINC000071782800 569698153 /nfs/dbraw/zinc/69/81/53/569698153.db2.gz SQXBQMHYZIZTER-VIFPVBQESA-N 1 1 461.037 2.034 50 0 JEAAMO Cc1cccc(O)c1NC(=O)c1cnc(Nc2cc(N3CC[NH+](CCO)CC3)nc(C)n2)s1 ZINC000035643757 569705793 /nfs/dbraw/zinc/70/57/93/569705793.db2.gz QSYUTCLLUVARSF-UHFFFAOYSA-N 1 1 469.571 2.366 50 0 in-vitro JEAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000035828108 569712758 /nfs/dbraw/zinc/71/27/58/569712758.db2.gz LDDONVOZWGKZGG-KWDRZOKMSA-N 1 1 472.929 2.305 50 0 JEAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000036341875 569764824 /nfs/dbraw/zinc/76/48/24/569764824.db2.gz MMFUPZMLHUKTKW-OAQYLSRUSA-N 1 1 466.538 2.358 50 0 JEAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000036593441 569777206 /nfs/dbraw/zinc/77/72/06/569777206.db2.gz FWJBQGCOYWSUKL-RBBKRZOGSA-N 1 1 467.609 2.038 50 0 JEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000037447383 569791303 /nfs/dbraw/zinc/79/13/03/569791303.db2.gz PYUHBOVCNWMLPJ-DFBJGRDBSA-N 1 1 472.634 2.171 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 ZINC000040161687 569822954 /nfs/dbraw/zinc/82/29/54/569822954.db2.gz OUVHVDHGOSCFMG-KRWDZBQOSA-N 1 1 479.533 2.201 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000104424605 569845708 /nfs/dbraw/zinc/84/57/08/569845708.db2.gz BUFMTOITERSITF-PGRDOPGGSA-N 1 1 457.575 2.203 50 0 JEAAMO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C[C@]21O ZINC000049604890 569849617 /nfs/dbraw/zinc/84/96/17/569849617.db2.gz CBIBKNBSAQKIMT-BDTSBYMVSA-N 1 1 460.571 2.315 50 0 biogenic JEAAMO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](CC(=O)NC(C)C)C[C@@H]12 ZINC000169678967 569869465 /nfs/dbraw/zinc/86/94/65/569869465.db2.gz VGSNDZNCNVBUSG-VWNXMTODSA-N 1 1 464.610 2.242 50 0 JEAAMO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](CC(=O)NC(C)C)C[C@@H]12 ZINC000169678967 569869466 /nfs/dbraw/zinc/86/94/66/569869466.db2.gz VGSNDZNCNVBUSG-VWNXMTODSA-N 1 1 464.610 2.242 50 0 JEAAMO OC[C@H](c1ccc2c(c1)OCO2)[N@@H+](CCc1nnc2ccccn21)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000229758554 570041126 /nfs/dbraw/zinc/04/11/26/570041126.db2.gz WXKPJYMZBOBKQH-WOJBJXKFSA-N 1 1 490.516 2.498 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000230097438 570044873 /nfs/dbraw/zinc/04/48/73/570044873.db2.gz HKVTWHOAXZMTKR-NHCUHLMSSA-N 1 1 450.649 2.071 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000253397939 570096014 /nfs/dbraw/zinc/09/60/14/570096014.db2.gz BTMUHNQIOXXRFB-ILWGZMRPSA-N 1 1 456.587 2.271 50 0 biogenic JEAAMO CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012786113 195128193 /nfs/dbraw/zinc/12/81/93/195128193.db2.gz FENINXPTGXGODN-LJQANCHMSA-N 1 1 453.539 2.091 50 0 JEAAMO O=C(Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000020618114 195189958 /nfs/dbraw/zinc/18/99/58/195189958.db2.gz UCQAUDDDXOSYLX-IOMROCGXSA-N 1 1 476.668 2.290 50 0 JEAAMO O=C([C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020856406 195231893 /nfs/dbraw/zinc/23/18/93/195231893.db2.gz NOJJYNHCBDXZRJ-LJQANCHMSA-N 1 1 471.608 2.189 50 0 JEAAMO O=C(CC[NH+]1CCOCC1)Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)c1ccccc1CC2 ZINC000020840938 195229989 /nfs/dbraw/zinc/22/99/89/195229989.db2.gz ODJLZTDZFXQOIH-UHFFFAOYSA-N 1 1 478.593 2.443 50 0 JEAAMO COC[C@H](C)NC(=O)c1c(=O)cc(C)n(CCC[NH+]2CCOCC2)c1Cc1cccc(F)c1 ZINC000020906557 195245442 /nfs/dbraw/zinc/24/54/42/195245442.db2.gz NNFVHAPCZFMBBS-SFHVURJKSA-N 1 1 459.562 2.374 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000020906587 195245622 /nfs/dbraw/zinc/24/56/22/195245622.db2.gz RBVDTEWIHWNHKU-FQEVSTJZSA-N 1 1 471.529 2.222 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000020906587 195245624 /nfs/dbraw/zinc/24/56/24/195245624.db2.gz RBVDTEWIHWNHKU-FQEVSTJZSA-N 1 1 471.529 2.222 50 0 JEAAMO CC[C@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1c2cc(C)nn2CCC1=O ZINC000020943663 195256438 /nfs/dbraw/zinc/25/64/38/195256438.db2.gz BUQZMVLWDZEHCR-JOCHJYFZSA-N 1 1 452.603 2.031 50 0 JEAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000020999787 195265348 /nfs/dbraw/zinc/26/53/48/195265348.db2.gz LSBOXIUMWDFSCD-UHFFFAOYSA-N 1 1 481.553 2.057 50 0 JEAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000020999787 195265350 /nfs/dbraw/zinc/26/53/50/195265350.db2.gz LSBOXIUMWDFSCD-UHFFFAOYSA-N 1 1 481.553 2.057 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000021022522 195267916 /nfs/dbraw/zinc/26/79/16/195267916.db2.gz HJXFOQIBKHQUFO-QHCPKHFHSA-N 1 1 476.643 2.129 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021021970 195267986 /nfs/dbraw/zinc/26/79/86/195267986.db2.gz VVSKLQVRNXNAPD-VWLOTQADSA-N 1 1 496.633 2.093 50 0 JEAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000021052322 195272923 /nfs/dbraw/zinc/27/29/23/195272923.db2.gz UDYCECYRKFJBSV-JOCHJYFZSA-N 1 1 478.684 2.375 50 0 JEAAMO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)sc2n1 ZINC000021148444 195281775 /nfs/dbraw/zinc/28/17/75/195281775.db2.gz WJMOWNXNHHIDHI-IBGZPJMESA-N 1 1 454.600 2.314 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000021530115 195308599 /nfs/dbraw/zinc/30/85/99/195308599.db2.gz LKINDXDWCQDAOQ-LVCYWYKZSA-N 1 1 458.628 2.313 50 0 JEAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945205 519440733 /nfs/dbraw/zinc/44/07/33/519440733.db2.gz SSAVHAICNJREIZ-UHFFFAOYSA-N 1 1 464.676 2.184 50 0 JEAAMO CC(=O)NCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000012203538 519654621 /nfs/dbraw/zinc/65/46/21/519654621.db2.gz IBAIFBPDUBHRJV-XMMPIXPASA-N 1 1 450.583 2.295 50 0 JEAAMO CC(=O)NCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000012203538 519654623 /nfs/dbraw/zinc/65/46/23/519654623.db2.gz IBAIFBPDUBHRJV-XMMPIXPASA-N 1 1 450.583 2.295 50 0 JEAAMO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014753281 519666545 /nfs/dbraw/zinc/66/65/45/519666545.db2.gz UPZWWTNIKWETNF-XZOQPEGZSA-N 1 1 478.593 2.210 50 0 JEAAMO 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/nfs/dbraw/zinc/76/57/62/569765762.db2.gz WTLAMZQDDYHRIE-HXUWFJFHSA-N 1 1 452.486 2.429 50 0 JEAAMO CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](CC)CC1)C(=O)CO2 ZINC000037512047 569791911 /nfs/dbraw/zinc/79/19/11/569791911.db2.gz CBVKYHHWAJONDD-UHFFFAOYSA-N 1 1 465.550 2.400 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)ccc4C)cc32)CC1 ZINC000037512605 569792275 /nfs/dbraw/zinc/79/22/75/569792275.db2.gz JDHMZYQVGXTDJO-UHFFFAOYSA-N 1 1 465.550 2.455 50 0 JEAAMO COc1ccc([C@H](CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000101692018 569802911 /nfs/dbraw/zinc/80/29/11/569802911.db2.gz QJRVBPCBBIDHRW-NRFANRHFSA-N 1 1 452.530 2.472 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)CC1 ZINC000045941291 569840454 /nfs/dbraw/zinc/84/04/54/569840454.db2.gz FYOJWYCFORWZJG-UHFFFAOYSA-N 1 1 479.556 2.318 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000169680259 569870355 /nfs/dbraw/zinc/87/03/55/569870355.db2.gz 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UUXINMYYRJADHF-KRWDZBQOSA-N 1 1 460.527 2.414 50 0 biogenic JEAAMO COCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000299766505 570175347 /nfs/dbraw/zinc/17/53/47/570175347.db2.gz FBPAZCNUJZZHKS-XMMPIXPASA-N 1 1 461.990 2.460 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1OC ZINC000334159535 570184625 /nfs/dbraw/zinc/18/46/25/570184625.db2.gz SZJRKITVRBMKNW-NJYVYQBISA-N 1 1 486.613 2.328 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000334159536 570184650 /nfs/dbraw/zinc/18/46/50/570184650.db2.gz SZJRKITVRBMKNW-PWRODBHTSA-N 1 1 486.613 2.328 50 0 JEAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012795103 195135339 /nfs/dbraw/zinc/13/53/39/195135339.db2.gz VNDUOFHUJOIFCZ-QHCPKHFHSA-N 1 1 456.612 2.184 50 0 JEAAMO COCCCN(C(=O)C[N@@H+](CCC(C)C)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012847597 195152953 /nfs/dbraw/zinc/15/29/53/195152953.db2.gz BAGATWBNWUKOBX-UHFFFAOYSA-N 1 1 471.602 2.047 50 0 JEAAMO CCn1cc(C(=O)N[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000012891773 195173199 /nfs/dbraw/zinc/17/31/99/195173199.db2.gz BOWHEKQBQVVVER-ZHRRBRCNSA-N 1 1 470.570 2.105 50 0 biogenic JEAAMO CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000012891653 195173376 /nfs/dbraw/zinc/17/33/76/195173376.db2.gz XLTBXLQAKGJNBH-MFEFFIJZSA-N 1 1 484.597 2.495 50 0 biogenic JEAAMO O=C([C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020923517 195248627 /nfs/dbraw/zinc/24/86/27/195248627.db2.gz QOVNAHBUBKWDFQ-QFIPXVFZSA-N 1 1 494.617 2.273 50 0 JEAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc2c1OCO2 ZINC000020994026 195263067 /nfs/dbraw/zinc/26/30/67/195263067.db2.gz KPJCALRQAJMMRW-UHFFFAOYSA-N 1 1 467.501 2.185 50 0 JEAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc2c1OCO2 ZINC000020994026 195263070 /nfs/dbraw/zinc/26/30/70/195263070.db2.gz KPJCALRQAJMMRW-UHFFFAOYSA-N 1 1 467.501 2.185 50 0 JEAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)nc(C)n3n2)cc1 ZINC000021017959 195266950 /nfs/dbraw/zinc/26/69/50/195266950.db2.gz NNLVZPTUAJQNPI-UHFFFAOYSA-N 1 1 472.549 2.219 50 0 JEAAMO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021096951 195275740 /nfs/dbraw/zinc/27/57/40/195275740.db2.gz XAQFCIMWSXIVAU-UHFFFAOYSA-N 1 1 454.552 2.321 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3CCC2=O)C1 ZINC000021928216 195334960 /nfs/dbraw/zinc/33/49/60/195334960.db2.gz GVWFCLCVXVIIRX-HXUWFJFHSA-N 1 1 490.670 2.379 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)c12 ZINC000058087312 195364337 /nfs/dbraw/zinc/36/43/37/195364337.db2.gz DWIIQIIIUCOEFY-AEFFLSMTSA-N 1 1 459.616 2.437 50 0 JEAAMO CCOc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@@H]4C(=O)OC)c(OC)cc(=O)n3CC2)cc1 ZINC000014957796 520979523 /nfs/dbraw/zinc/97/95/23/520979523.db2.gz CQXMCBQKKNOBCN-JOCHJYFZSA-N 1 1 497.592 2.482 50 0 JEAAMO CCOc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@@H]4C(=O)OC)c(OC)cc(=O)n3CC2)cc1 ZINC000014957796 520979531 /nfs/dbraw/zinc/97/95/31/520979531.db2.gz CQXMCBQKKNOBCN-JOCHJYFZSA-N 1 1 497.592 2.482 50 0 JEAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966752 521633109 /nfs/dbraw/zinc/63/31/09/521633109.db2.gz HNIHGUMIQHSUIK-LJQANCHMSA-N 1 1 451.409 2.198 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966752 521633112 /nfs/dbraw/zinc/63/31/12/521633112.db2.gz HNIHGUMIQHSUIK-LJQANCHMSA-N 1 1 451.409 2.198 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)CC2)CC1 ZINC000064947044 521661874 /nfs/dbraw/zinc/66/18/74/521661874.db2.gz SHFMKXABJQJYTD-UHFFFAOYSA-N 1 1 477.606 2.193 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000014986753 521779965 /nfs/dbraw/zinc/77/99/65/521779965.db2.gz NQDUMSYZZOZIAU-INIZCTEOSA-N 1 1 473.957 2.204 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000014986753 521779974 /nfs/dbraw/zinc/77/99/74/521779974.db2.gz NQDUMSYZZOZIAU-INIZCTEOSA-N 1 1 473.957 2.204 50 0 JEAAMO CC[C@@H](C(=O)NCCC[NH+]1CCN(CC)CC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971060 521837248 /nfs/dbraw/zinc/83/72/48/521837248.db2.gz SZXSDLUIXKMMEB-QFIPXVFZSA-N 1 1 479.629 2.294 50 0 JEAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](C3CCCC3)C2)nn1 ZINC000012244244 522325977 /nfs/dbraw/zinc/32/59/77/522325977.db2.gz FGSXKBUHZMJWFG-IRLDBZIGSA-N 1 1 470.549 2.111 50 0 JEAAMO CCn1c2c(C(=O)NCc3cccnc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967784 523253349 /nfs/dbraw/zinc/25/33/49/523253349.db2.gz NDRSXVMCHZDTBI-UHFFFAOYSA-N 1 1 472.549 2.408 50 0 JEAAMO CCn1c2c(C(=O)NCc3cccnc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967784 523253359 /nfs/dbraw/zinc/25/33/59/523253359.db2.gz NDRSXVMCHZDTBI-UHFFFAOYSA-N 1 1 472.549 2.408 50 0 JEAAMO CN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000034792100 523738613 /nfs/dbraw/zinc/73/86/13/523738613.db2.gz VPIZEAJKGVEEIS-RUZDIDTESA-N 1 1 491.567 2.005 50 0 JEAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000033069160 523747350 /nfs/dbraw/zinc/74/73/50/523747350.db2.gz ZSNAOGAKDPSSIA-UHFFFAOYSA-N 1 1 458.994 2.313 50 0 JEAAMO CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000036038540 523794635 /nfs/dbraw/zinc/79/46/35/523794635.db2.gz KEIMTLACVNHAIX-UHFFFAOYSA-N 1 1 482.654 2.387 50 0 JEAAMO C[N@@H+]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000033033075 523803821 /nfs/dbraw/zinc/80/38/21/523803821.db2.gz XHHYYKMCSULJEW-UHFFFAOYSA-N 1 1 492.045 2.328 50 0 JEAAMO C[N@H+]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000033033075 523803830 /nfs/dbraw/zinc/80/38/30/523803830.db2.gz XHHYYKMCSULJEW-UHFFFAOYSA-N 1 1 492.045 2.328 50 0 JEAAMO Cc1cccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036086909 524144781 /nfs/dbraw/zinc/14/47/81/524144781.db2.gz BLOSLZWGLMTMPM-UHFFFAOYSA-N 1 1 487.482 2.157 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000045974536 524186453 /nfs/dbraw/zinc/18/64/53/524186453.db2.gz HIJDOYFIKFJZAO-UHFFFAOYSA-N 1 1 484.666 2.391 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000045945383 524314388 /nfs/dbraw/zinc/31/43/88/524314388.db2.gz LSAFUOCFYAIIIW-SFTDATJTSA-N 1 1 478.703 2.402 50 0 JEAAMO Cc1cccc(C[NH+]2CCN(CC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)CC2)c1 ZINC000022805262 524401328 /nfs/dbraw/zinc/40/13/28/524401328.db2.gz BPXKGGADCCBHQT-AREMUKBSSA-N 1 1 463.582 2.087 50 0 JEAAMO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C2=O ZINC000048260358 525514069 /nfs/dbraw/zinc/51/40/69/525514069.db2.gz GOKYHQOPYYERAE-HRAATJIYSA-N 1 1 476.540 2.236 50 0 JEAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000033028364 525555710 /nfs/dbraw/zinc/55/57/10/525555710.db2.gz ARBCOWYRFCGLKH-HNAYVOBHSA-N 1 1 494.054 2.202 50 0 JEAAMO Cc1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1C ZINC000036086483 525925458 /nfs/dbraw/zinc/92/54/58/525925458.db2.gz ABTKSVGBKDMACY-UHFFFAOYSA-N 1 1 467.957 2.100 50 0 JEAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012470301 526194127 /nfs/dbraw/zinc/19/41/27/526194127.db2.gz KJDYUNZWUHTWMX-LADGPHEKSA-N 1 1 485.606 2.229 50 0 JEAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033250757 526460051 /nfs/dbraw/zinc/46/00/51/526460051.db2.gz AFWJQLVGTXOUQB-JBVUFVISSA-N 1 1 476.574 2.467 50 0 JEAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCCN1CCOCC1 ZINC000033069212 526648916 /nfs/dbraw/zinc/64/89/16/526648916.db2.gz UPFZVJKZQXRJDP-UHFFFAOYSA-N 1 1 459.978 2.393 50 0 JEAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCCN1CCOCC1 ZINC000033069212 526648918 /nfs/dbraw/zinc/64/89/18/526648918.db2.gz UPFZVJKZQXRJDP-UHFFFAOYSA-N 1 1 459.978 2.393 50 0 JEAAMO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014815025 526710650 /nfs/dbraw/zinc/71/06/50/526710650.db2.gz AHUPJLBNMUJDIB-UHFFFAOYSA-N 1 1 480.590 2.214 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009512715 526754974 /nfs/dbraw/zinc/75/49/74/526754974.db2.gz KIMORUURSAPGII-HXUWFJFHSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009512715 526754977 /nfs/dbraw/zinc/75/49/77/526754977.db2.gz KIMORUURSAPGII-HXUWFJFHSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(CN1CCOC1=O)N1CCOc2ccc(C[N@H+]3CCC[C@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000012245662 526786928 /nfs/dbraw/zinc/78/69/28/526786928.db2.gz MMKRTDQJXXYUPN-NRFANRHFSA-N 1 1 478.549 2.350 50 0 JEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OCCO)cc2Br)N1)OCCCO4 ZINC000012507682 527137191 /nfs/dbraw/zinc/13/71/91/527137191.db2.gz TZZDPGQLDGXSLT-SFHVURJKSA-N 1 1 474.315 2.428 50 0 JEAAMO O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21)N1CCCC1 ZINC000085651589 527355955 /nfs/dbraw/zinc/35/59/55/527355955.db2.gz NSEMKFIRIOTQLC-UHFFFAOYSA-N 1 1 492.667 2.324 50 0 JEAAMO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000033115091 527557415 /nfs/dbraw/zinc/55/74/15/527557415.db2.gz VTVYXUUTIHVDRG-UHFFFAOYSA-N 1 1 453.587 2.262 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035458534 527673288 /nfs/dbraw/zinc/67/32/88/527673288.db2.gz CPNIWXZZLZALAS-DEOSSOPVSA-N 1 1 476.577 2.290 50 0 JEAAMO O=C(CN1N=C(c2ccccc2)CCC1=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008812382 554693541 /nfs/dbraw/zinc/69/35/41/554693541.db2.gz GRQRCZVYHMWYNC-UHFFFAOYSA-N 1 1 451.546 2.481 50 0 JEAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000009495122 555279536 /nfs/dbraw/zinc/27/95/36/555279536.db2.gz RQBTUHBGXQRQRE-UHFFFAOYSA-N 1 1 481.626 2.173 50 0 JEAAMO CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)CC1 ZINC000009540611 555333635 /nfs/dbraw/zinc/33/36/35/555333635.db2.gz QKQGHQKVZPRCOC-UHFFFAOYSA-N 1 1 483.594 2.063 50 0 JEAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009562593 555363691 /nfs/dbraw/zinc/36/36/91/555363691.db2.gz YSLOWOCARCZQNB-GOSISDBHSA-N 1 1 450.605 2.121 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009562593 555363694 /nfs/dbraw/zinc/36/36/94/555363694.db2.gz YSLOWOCARCZQNB-GOSISDBHSA-N 1 1 450.605 2.121 50 0 JEAAMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013164498 555365203 /nfs/dbraw/zinc/36/52/03/555365203.db2.gz FHVIJZGIHNKAQV-KRWDZBQOSA-N 1 1 491.635 2.362 50 0 JEAAMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013164498 555365204 /nfs/dbraw/zinc/36/52/04/555365204.db2.gz FHVIJZGIHNKAQV-KRWDZBQOSA-N 1 1 491.635 2.362 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009603612 555430262 /nfs/dbraw/zinc/43/02/62/555430262.db2.gz TXICCRYPRPGBPA-NRFANRHFSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009603612 555430264 /nfs/dbraw/zinc/43/02/64/555430264.db2.gz TXICCRYPRPGBPA-NRFANRHFSA-N 1 1 489.569 2.267 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000009742151 555473663 /nfs/dbraw/zinc/47/36/63/555473663.db2.gz HEIOHUQQASDVHN-VWLOTQADSA-N 1 1 498.649 2.387 50 0 JEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000019835576 555506668 /nfs/dbraw/zinc/50/66/68/555506668.db2.gz KFDMWMWRQIAXIC-UHFFFAOYSA-N 1 1 451.527 2.292 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1cccs1)CC2 ZINC000019837194 555507204 /nfs/dbraw/zinc/50/72/04/555507204.db2.gz YDMKEFXKXAFNSP-SFHVURJKSA-N 1 1 459.568 2.144 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1cccs1)CC2 ZINC000019837194 555507207 /nfs/dbraw/zinc/50/72/07/555507207.db2.gz YDMKEFXKXAFNSP-SFHVURJKSA-N 1 1 459.568 2.144 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000019838315 555507828 /nfs/dbraw/zinc/50/78/28/555507828.db2.gz FRYDLZHVMTUBBM-NRFANRHFSA-N 1 1 453.583 2.437 50 0 JEAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009838320 555542922 /nfs/dbraw/zinc/54/29/22/555542922.db2.gz VAXNTGHUFXCEDH-SJORKVTESA-N 1 1 465.645 2.473 50 0 JEAAMO COc1cc2oc(=O)c(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(C)c2cc1OC ZINC000013693441 555588310 /nfs/dbraw/zinc/58/83/10/555588310.db2.gz QGFUYEJTOSDATR-UHFFFAOYSA-N 1 1 451.523 2.443 50 0 JEAAMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020030440 555605578 /nfs/dbraw/zinc/60/55/78/555605578.db2.gz MMKGFLJHLFNSKR-UHFFFAOYSA-N 1 1 452.374 2.072 50 0 JEAAMO CCCC[N@@H+](CC)CCNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103609 555635654 /nfs/dbraw/zinc/63/56/54/555635654.db2.gz LXBYQCJOGRVKOA-UHFFFAOYSA-N 1 1 461.632 2.081 50 0 JEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(NC(C)=O)cc2)CC3)cc1 ZINC000020118865 555655150 /nfs/dbraw/zinc/65/51/50/555655150.db2.gz BJXXYPLTBKCSHM-UHFFFAOYSA-N 1 1 462.554 2.276 50 0 JEAAMO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153420 555672441 /nfs/dbraw/zinc/67/24/41/555672441.db2.gz QVEZBPQYKKLAIX-UIOOFZCWSA-N 1 1 492.620 2.294 50 0 JEAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)CC1 ZINC000014109189 555689899 /nfs/dbraw/zinc/68/98/99/555689899.db2.gz RCJKAFDNKWQEIU-DLBZAZTESA-N 1 1 464.613 2.044 50 0 JEAAMO O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014201403 555732932 /nfs/dbraw/zinc/73/29/32/555732932.db2.gz RDZIDGHYJHYDNK-GOSISDBHSA-N 1 1 495.598 2.464 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000020240580 555735777 /nfs/dbraw/zinc/73/57/77/555735777.db2.gz NLDDIDHKNGANKT-UHFFFAOYSA-N 1 1 471.373 2.468 50 0 aggregator JEAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000020295311 555763569 /nfs/dbraw/zinc/76/35/69/555763569.db2.gz MDOAZQOVKPIITC-NRFANRHFSA-N 1 1 459.546 2.493 50 0 JEAAMO COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCC[NH+]5CCN(C)CC5)C4)sc3n2)cc1 ZINC000020531952 555799550 /nfs/dbraw/zinc/79/95/50/555799550.db2.gz AVNLQXPBVARQLL-FQEVSTJZSA-N 1 1 497.669 2.437 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)[nH+]3)CC2)(c2ccccc2Cl)C1=O ZINC000011970973 555873678 /nfs/dbraw/zinc/87/36/78/555873678.db2.gz NDJPHZLAOQFURR-VWLOTQADSA-N 1 1 484.984 2.425 50 0 JEAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCCC2)cc1 ZINC000011998428 555881002 /nfs/dbraw/zinc/88/10/02/555881002.db2.gz SCTMUXIGKZXJHY-LJQANCHMSA-N 1 1 481.596 2.242 50 0 JEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cc(OC)ccc2OC)CC3)cc1 ZINC000012207457 555942288 /nfs/dbraw/zinc/94/22/88/555942288.db2.gz RBUJWCZDYLSDRT-UHFFFAOYSA-N 1 1 465.554 2.335 50 0 JEAAMO CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022908987 555965882 /nfs/dbraw/zinc/96/58/82/555965882.db2.gz BHUXUBYFNBVSAK-UHFFFAOYSA-N 1 1 470.595 2.388 50 0 JEAAMO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015728624 555968689 /nfs/dbraw/zinc/96/86/89/555968689.db2.gz LGKOAFMQKXLAOL-SFHVURJKSA-N 1 1 458.994 2.217 50 0 JEAAMO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015728623 555968719 /nfs/dbraw/zinc/96/87/19/555968719.db2.gz LGKOAFMQKXLAOL-GOSISDBHSA-N 1 1 458.994 2.217 50 0 JEAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022917705 555971469 /nfs/dbraw/zinc/97/14/69/555971469.db2.gz GCCMCVHPNFHVDT-UHFFFAOYSA-N 1 1 450.992 2.347 50 0 JEAAMO O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015736294 555982985 /nfs/dbraw/zinc/98/29/85/555982985.db2.gz LYJIRFIHGLNPJS-UHFFFAOYSA-N 1 1 460.513 2.296 50 0 JEAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2)cc1 ZINC000022932649 555985226 /nfs/dbraw/zinc/98/52/26/555985226.db2.gz KMGOCTKYOZIFBL-UHFFFAOYSA-N 1 1 452.555 2.456 50 0 JEAAMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000023095795 556007864 /nfs/dbraw/zinc/00/78/64/556007864.db2.gz AWOINRQJQYTBIR-UHFFFAOYSA-N 1 1 458.584 2.397 50 0 JEAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000023144906 556022973 /nfs/dbraw/zinc/02/29/73/556022973.db2.gz RKTWAWKVPOIWDV-UHFFFAOYSA-N 1 1 465.554 2.091 50 0 JEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023194012 556030138 /nfs/dbraw/zinc/03/01/38/556030138.db2.gz FNMCJBQNAKMRCG-HXUWFJFHSA-N 1 1 474.602 2.165 50 0 JEAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C1 ZINC000015880196 556052284 /nfs/dbraw/zinc/05/22/84/556052284.db2.gz UBEMCFGSNHVXRT-UHFFFAOYSA-N 1 1 450.586 2.183 50 0 JEAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C1 ZINC000015880196 556052287 /nfs/dbraw/zinc/05/22/87/556052287.db2.gz UBEMCFGSNHVXRT-UHFFFAOYSA-N 1 1 450.586 2.183 50 0 JEAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000016011848 556110575 /nfs/dbraw/zinc/11/05/75/556110575.db2.gz PUDUORUICYAHQW-ACWWSVHNSA-N 1 1 492.841 2.159 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)CC1 ZINC000016043478 556122824 /nfs/dbraw/zinc/12/28/24/556122824.db2.gz JBBIBMYDQGTFGQ-HNNXBMFYSA-N 1 1 483.974 2.121 50 0 JEAAMO NC(=O)c1nn(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2ccccc21 ZINC000012909761 556128610 /nfs/dbraw/zinc/12/86/10/556128610.db2.gz YYVSLQKUQSTXNP-UHFFFAOYSA-N 1 1 481.556 2.429 50 0 JEAAMO Cc1ccc(S(=O)(=O)n2cc(CCC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)c(C(F)(F)F)n2)cc1 ZINC000024841385 556160299 /nfs/dbraw/zinc/16/02/99/556160299.db2.gz FRICMLUJCIWOSL-INIZCTEOSA-N 1 1 479.546 2.499 50 0 JEAAMO Cc1ccc(S(=O)(=O)n2cc(CCC[N@H+](C)[C@H]3CCS(=O)(=O)C3)c(C(F)(F)F)n2)cc1 ZINC000024841385 556160301 /nfs/dbraw/zinc/16/03/01/556160301.db2.gz FRICMLUJCIWOSL-INIZCTEOSA-N 1 1 479.546 2.499 50 0 JEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C[C@H](C)O1 ZINC000025148480 556187413 /nfs/dbraw/zinc/18/74/13/556187413.db2.gz BYHHOXMUOCNPFS-GASCZTMLSA-N 1 1 483.539 2.364 50 0 JEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C[C@H](C)O1 ZINC000025148480 556187416 /nfs/dbraw/zinc/18/74/16/556187416.db2.gz BYHHOXMUOCNPFS-GASCZTMLSA-N 1 1 483.539 2.364 50 0 JEAAMO COc1cccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013040230 556242955 /nfs/dbraw/zinc/24/29/55/556242955.db2.gz IVDJDNUKHWIKEY-UHFFFAOYSA-N 1 1 451.976 2.314 50 0 JEAAMO COc1cccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013040230 556242956 /nfs/dbraw/zinc/24/29/56/556242956.db2.gz IVDJDNUKHWIKEY-UHFFFAOYSA-N 1 1 451.976 2.314 50 0 JEAAMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013040263 556242969 /nfs/dbraw/zinc/24/29/69/556242969.db2.gz OMQQKQMFIVSGBU-SFHVURJKSA-N 1 1 461.584 2.484 50 0 JEAAMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013040263 556242970 /nfs/dbraw/zinc/24/29/70/556242970.db2.gz OMQQKQMFIVSGBU-SFHVURJKSA-N 1 1 461.584 2.484 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000013075562 556277160 /nfs/dbraw/zinc/27/71/60/556277160.db2.gz RUHMJXCEDKYTDK-HSZRJFAPSA-N 1 1 488.610 2.247 50 0 JEAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000027572656 556299194 /nfs/dbraw/zinc/29/91/94/556299194.db2.gz JVYMFSNCEFYBMV-IBVKSMDESA-N 1 1 477.565 2.312 50 0 JEAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000027572656 556299198 /nfs/dbraw/zinc/29/91/98/556299198.db2.gz JVYMFSNCEFYBMV-IBVKSMDESA-N 1 1 477.565 2.312 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120911 556334750 /nfs/dbraw/zinc/33/47/50/556334750.db2.gz LMHXUPRFUWUOEA-OAQYLSRUSA-N 1 1 477.652 2.403 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120911 556334753 /nfs/dbraw/zinc/33/47/53/556334753.db2.gz LMHXUPRFUWUOEA-OAQYLSRUSA-N 1 1 477.652 2.403 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120910 556334765 /nfs/dbraw/zinc/33/47/65/556334765.db2.gz LMHXUPRFUWUOEA-NRFANRHFSA-N 1 1 477.652 2.403 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120910 556334769 /nfs/dbraw/zinc/33/47/69/556334769.db2.gz LMHXUPRFUWUOEA-NRFANRHFSA-N 1 1 477.652 2.403 50 0 JEAAMO COc1cccc([C@]2(CC(=O)N(C)CCC[NH+]3CCOCC3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000019742197 556364672 /nfs/dbraw/zinc/36/46/72/556364672.db2.gz UZRVKAAZMHLWAE-SANMLTNESA-N 1 1 471.598 2.205 50 0 JEAAMO CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)N3CC[NH+](CCOC)CC3)c21 ZINC000019744462 556365423 /nfs/dbraw/zinc/36/54/23/556365423.db2.gz GAJISKFVQQFLFM-UHFFFAOYSA-N 1 1 480.569 2.107 50 0 JEAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000019821069 556391521 /nfs/dbraw/zinc/39/15/21/556391521.db2.gz WWCIWTWCOAOLIF-AREMUKBSSA-N 1 1 499.615 2.313 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 ZINC000032268063 556433916 /nfs/dbraw/zinc/43/39/16/556433916.db2.gz WDIPWTFMZXWCTK-HKUYNNGSSA-N 1 1 490.464 2.225 50 0 JEAAMO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCCC[NH+]3CCN(C)CC3)c2cc1C ZINC000032945076 556559608 /nfs/dbraw/zinc/55/96/08/556559608.db2.gz YRBFNRWIIQVPII-INIZCTEOSA-N 1 1 453.509 2.347 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414470 569599729 /nfs/dbraw/zinc/59/97/29/569599729.db2.gz XGAGSOKMVYOHSM-XMMPIXPASA-N 1 1 480.565 2.303 50 0 JEAAMO COC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415921 569601203 /nfs/dbraw/zinc/60/12/03/569601203.db2.gz DTXSPFSQBCCUEH-OAQYLSRUSA-N 1 1 470.551 2.076 50 0 JEAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000062587516 569612104 /nfs/dbraw/zinc/61/21/04/569612104.db2.gz LOTSNJHDTOVRIK-UHFFFAOYSA-N 1 1 498.605 2.247 50 0 JEAAMO CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CC[NH+](C5CCCCC5)CC4)cc32)no1 ZINC000064450662 569617205 /nfs/dbraw/zinc/61/72/05/569617205.db2.gz KMPHZYOJVNCOHG-UHFFFAOYSA-N 1 1 489.598 2.197 50 0 JEAAMO C[NH+]1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)COc2ccccc2)CC3)CC1 ZINC000034677012 569641743 /nfs/dbraw/zinc/64/17/43/569641743.db2.gz MNANXJQBYQZXHY-UHFFFAOYSA-N 1 1 450.587 2.182 50 0 JEAAMO O=C(CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064889270 569642593 /nfs/dbraw/zinc/64/25/93/569642593.db2.gz SOFBLAUSVQVSBU-UHFFFAOYSA-N 1 1 496.637 2.340 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064889406 569642694 /nfs/dbraw/zinc/64/26/94/569642694.db2.gz LLNQPFHPORNCHY-UHFFFAOYSA-N 1 1 484.626 2.196 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062036 569655620 /nfs/dbraw/zinc/65/56/20/569655620.db2.gz ZFTRSYNWBPESEP-UHFFFAOYSA-N 1 1 477.096 2.336 50 0 JEAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692149 569646231 /nfs/dbraw/zinc/64/62/31/569646231.db2.gz KHKXSPNDTDAAPT-OAQYLSRUSA-N 1 1 466.538 2.496 50 0 JEAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692149 569646232 /nfs/dbraw/zinc/64/62/32/569646232.db2.gz KHKXSPNDTDAAPT-OAQYLSRUSA-N 1 1 466.538 2.496 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)c1 ZINC000034692145 569646301 /nfs/dbraw/zinc/64/63/01/569646301.db2.gz XHRFWRWSJMKBLB-XMMPIXPASA-N 1 1 466.582 2.454 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)c1 ZINC000034692145 569646302 /nfs/dbraw/zinc/64/63/02/569646302.db2.gz XHRFWRWSJMKBLB-XMMPIXPASA-N 1 1 466.582 2.454 50 0 JEAAMO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025322 569650729 /nfs/dbraw/zinc/65/07/29/569650729.db2.gz BGELCQBMGNDEQE-UHFFFAOYSA-N 1 1 461.588 2.173 50 0 JEAAMO C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000034756663 569656638 /nfs/dbraw/zinc/65/66/38/569656638.db2.gz AUNRJDXLZLXLLG-UHFFFAOYSA-N 1 1 477.034 2.229 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(CN2C(=O)C[C@@H](c3ccccc3)NC2=O)c1 ZINC000034761217 569657854 /nfs/dbraw/zinc/65/78/54/569657854.db2.gz RBRWBLHXLSECDJ-QFIPXVFZSA-N 1 1 450.539 2.322 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](CCOC)CC2)[C@@H]1c1ccccc1 ZINC000034927906 569673108 /nfs/dbraw/zinc/67/31/08/569673108.db2.gz BSSOQQCJBAFZRQ-ZEQRLZLVSA-N 1 1 451.567 2.404 50 0 JEAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065364283 569675425 /nfs/dbraw/zinc/67/54/25/569675425.db2.gz YNIDHTHZBIRZFR-UHFFFAOYSA-N 1 1 471.505 2.151 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)c3s2)CC1 ZINC000067225917 569680962 /nfs/dbraw/zinc/68/09/62/569680962.db2.gz RSXGHWIWIQSYJL-UHFFFAOYSA-N 1 1 450.927 2.426 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@@H](C)CCc4ccccc4)c(=O)c3s2)CC1 ZINC000067225930 569681042 /nfs/dbraw/zinc/68/10/42/569681042.db2.gz YPCXOTMUZFZNJU-KRWDZBQOSA-N 1 1 454.600 2.132 50 0 JEAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286219 569683882 /nfs/dbraw/zinc/68/38/82/569683882.db2.gz RBYLCYXBFPASHK-SFHVURJKSA-N 1 1 451.365 2.258 50 0 JEAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286219 569683883 /nfs/dbraw/zinc/68/38/83/569683883.db2.gz RBYLCYXBFPASHK-SFHVURJKSA-N 1 1 451.365 2.258 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000035365918 569682623 /nfs/dbraw/zinc/68/26/23/569682623.db2.gz VUIIPJCPWZTCIA-YUGFUXRRSA-N 1 1 474.561 2.446 50 0 biogenic JEAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286219 569683881 /nfs/dbraw/zinc/68/38/81/569683881.db2.gz RBYLCYXBFPASHK-SFHVURJKSA-N 1 1 451.365 2.258 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000035401586 569690989 /nfs/dbraw/zinc/69/09/89/569690989.db2.gz XCNALFJAZQSXKE-SZPZYZBQSA-N 1 1 464.676 2.379 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000035401586 569690990 /nfs/dbraw/zinc/69/09/90/569690990.db2.gz XCNALFJAZQSXKE-SZPZYZBQSA-N 1 1 464.676 2.379 50 0 JEAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccco5)CC4)n3)CC2)cc1C ZINC000035926637 569729913 /nfs/dbraw/zinc/72/99/13/569729913.db2.gz IADOJEQGNLAPLP-UHFFFAOYSA-N 1 1 476.581 2.264 50 0 JEAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000036033792 569752317 /nfs/dbraw/zinc/75/23/17/569752317.db2.gz UNBYXIODLHBJIW-GGAORHGYSA-N 1 1 491.635 2.013 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100203909 569755239 /nfs/dbraw/zinc/75/52/39/569755239.db2.gz KUIZFCYTWLYTDP-PBQROFAYSA-N 1 1 463.465 2.434 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100203909 569755241 /nfs/dbraw/zinc/75/52/41/569755241.db2.gz KUIZFCYTWLYTDP-PBQROFAYSA-N 1 1 463.465 2.434 50 0 JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000100207791 569755370 /nfs/dbraw/zinc/75/53/70/569755370.db2.gz JSTPPTPAHRUDNT-MDTICMOCSA-N 1 1 451.454 2.274 50 0 JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000100207791 569755371 /nfs/dbraw/zinc/75/53/71/569755371.db2.gz JSTPPTPAHRUDNT-MDTICMOCSA-N 1 1 451.454 2.274 50 0 JEAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000036235701 569757521 /nfs/dbraw/zinc/75/75/21/569757521.db2.gz MKEKTCQKHIMZOI-UHFFFAOYSA-N 1 1 481.004 2.267 50 0 JEAAMO COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1C ZINC000036589742 569777139 /nfs/dbraw/zinc/77/71/39/569777139.db2.gz PPCHMKCHKYFAOI-RBBKRZOGSA-N 1 1 462.593 2.257 50 0 JEAAMO COc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)N1CC[NH+](C)CC1)C(=O)CO2 ZINC000037275311 569782100 /nfs/dbraw/zinc/78/21/00/569782100.db2.gz BCEQTSOFSHYQOI-UHFFFAOYSA-N 1 1 481.549 2.237 50 0 JEAAMO C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4F)cc32)CC1 ZINC000037512031 569791924 /nfs/dbraw/zinc/79/19/24/569791924.db2.gz CJPMBOUUPJBWQI-UHFFFAOYSA-N 1 1 475.904 2.240 50 0 JEAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000101692027 569802954 /nfs/dbraw/zinc/80/29/54/569802954.db2.gz QJRVBPCBBIDHRW-OAQYLSRUSA-N 1 1 452.530 2.472 50 0 JEAAMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040040211 569814772 /nfs/dbraw/zinc/81/47/72/569814772.db2.gz OPGQYVTUQIAZMA-INIZCTEOSA-N 1 1 495.548 2.262 50 0 JEAAMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040040211 569814773 /nfs/dbraw/zinc/81/47/73/569814773.db2.gz OPGQYVTUQIAZMA-INIZCTEOSA-N 1 1 495.548 2.262 50 0 JEAAMO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000106866730 569855836 /nfs/dbraw/zinc/85/58/36/569855836.db2.gz CLVODYMUIWMJCQ-BJKOFHAPSA-N 1 1 450.583 2.296 50 0 JEAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913810 569857930 /nfs/dbraw/zinc/85/79/30/569857930.db2.gz XMLXGBKNGMFWHC-MTPWMDRRSA-N 1 1 475.545 2.288 50 0 JEAAMO CCCC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 ZINC000239425839 570051959 /nfs/dbraw/zinc/05/19/59/570051959.db2.gz VIYXAYCNUJJQSP-LDJRQFQESA-N 1 1 484.593 2.422 50 0 JEAAMO C[N@H+]1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000245224942 570054868 /nfs/dbraw/zinc/05/48/68/570054868.db2.gz INRCNXQHAVBQKT-LEWJYISDSA-N 1 1 476.668 2.254 50 0 JEAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000245237870 570057400 /nfs/dbraw/zinc/05/74/00/570057400.db2.gz AMHGUTLOPBABSX-NHCUHLMSSA-N 1 1 464.676 2.325 50 0 JEAAMO COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000245281369 570062249 /nfs/dbraw/zinc/06/22/49/570062249.db2.gz XVKGJZQDMDIDLA-AZGAKELHSA-N 1 1 464.610 2.401 50 0 JEAAMO CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)cc1 ZINC000252494774 570082170 /nfs/dbraw/zinc/08/21/70/570082170.db2.gz OEIFCHRNHSKCBR-SFHVURJKSA-N 1 1 458.569 2.411 50 0 JEAAMO CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252677081 570093882 /nfs/dbraw/zinc/09/38/82/570093882.db2.gz YBOCJJDCJDLXNP-NRFANRHFSA-N 1 1 498.630 2.205 50 0 JEAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004167069 194382578 /nfs/dbraw/zinc/38/25/78/194382578.db2.gz KJDYUNZWUHTWMX-VWNXMTODSA-N 1 1 485.606 2.229 50 0 JEAAMO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@H+]4CCc5ccccc5C4)C3)sc2n1 ZINC000004110440 194379003 /nfs/dbraw/zinc/37/90/03/194379003.db2.gz SOAMLPOMGYDZDT-HXUWFJFHSA-N 1 1 466.611 2.240 50 0 JEAAMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000012650489 195075705 /nfs/dbraw/zinc/07/57/05/195075705.db2.gz SPGUYBAOPZVCLX-UHFFFAOYSA-N 1 1 451.976 2.314 50 0 JEAAMO CCn1cc(C(=O)N[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000012891783 195173208 /nfs/dbraw/zinc/17/32/08/195173208.db2.gz BOWHEKQBQVVVER-AOMKIAJQSA-N 1 1 470.570 2.105 50 0 biogenic JEAAMO CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000012891634 195173389 /nfs/dbraw/zinc/17/33/89/195173389.db2.gz XLTBXLQAKGJNBH-DGGJZMOXSA-N 1 1 484.597 2.495 50 0 biogenic JEAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c2ccccc2O1 ZINC000020902393 195241750 /nfs/dbraw/zinc/24/17/50/195241750.db2.gz ONSCBFQSZUHYOC-NRFANRHFSA-N 1 1 457.619 2.250 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000020906589 195245508 /nfs/dbraw/zinc/24/55/08/195245508.db2.gz RBVDTEWIHWNHKU-HXUWFJFHSA-N 1 1 471.529 2.222 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000020906589 195245511 /nfs/dbraw/zinc/24/55/11/195245511.db2.gz RBVDTEWIHWNHKU-HXUWFJFHSA-N 1 1 471.529 2.222 50 0 JEAAMO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004299 195265789 /nfs/dbraw/zinc/26/57/89/195265789.db2.gz UBYXYOWMWQDNKU-UHFFFAOYSA-N 1 1 462.575 2.418 50 0 JEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)N3CCN(c4ccccc4)CC3)s2)CC1 ZINC000021535357 195311259 /nfs/dbraw/zinc/31/12/59/195311259.db2.gz KXMXGHUZNUSFKF-UHFFFAOYSA-N 1 1 451.600 2.433 50 0 JEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)c12 ZINC000058087311 195364279 /nfs/dbraw/zinc/36/42/79/195364279.db2.gz DWIIQIIIUCOEFY-SJLPKXTDSA-N 1 1 459.616 2.437 50 0 JEAAMO CC[NH+]1CCN(CCCCNC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000058175425 195371770 /nfs/dbraw/zinc/37/17/70/195371770.db2.gz KOGLVHBXVSRTIN-UHFFFAOYSA-N 1 1 486.082 2.210 50 0 JEAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)c1 ZINC000058307615 195376963 /nfs/dbraw/zinc/37/69/63/195376963.db2.gz UXOKERSWGJKWSZ-QHCPKHFHSA-N 1 1 482.581 2.385 50 0 JEAAMO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000096232118 130001061 /nfs/dbraw/zinc/00/10/61/130001061.db2.gz RYUNVCWXJDAGCR-QFIPXVFZSA-N 1 1 450.539 2.240 50 0 JEAAMO C[NH+]1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000096274801 130006865 /nfs/dbraw/zinc/00/68/65/130006865.db2.gz AXSMGPOTDYLFKI-HSZRJFAPSA-N 1 1 494.567 2.073 50 0 JEAAMO CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)NC(C)C)ccc1N1CC[NH2+]CC1 ZINC000033033798 519714338 /nfs/dbraw/zinc/71/43/38/519714338.db2.gz PCEQWQNPVCGSRR-UHFFFAOYSA-N 1 1 473.599 2.302 50 0 JEAAMO CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)Cc1ccc2c(c1)OCO2 ZINC000014814105 520358460 /nfs/dbraw/zinc/35/84/60/520358460.db2.gz CVKFEQIRURBDLQ-UHFFFAOYSA-N 1 1 475.567 2.205 50 0 JEAAMO CC[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)Cc1ccc2c(c1)OCO2 ZINC000014814105 520358472 /nfs/dbraw/zinc/35/84/72/520358472.db2.gz CVKFEQIRURBDLQ-UHFFFAOYSA-N 1 1 475.567 2.205 50 0 JEAAMO CCCn1c(N)c([C@@H](c2ccc(C(=O)OC)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000025778049 521632261 /nfs/dbraw/zinc/63/22/61/521632261.db2.gz FQYCLQISRBGJTQ-JOCHJYFZSA-N 1 1 477.565 2.227 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccc(C)cc4)c3C)CC2)CC1 ZINC000064947042 521662429 /nfs/dbraw/zinc/66/24/29/521662429.db2.gz WDLYVJJVDUKOEA-UHFFFAOYSA-N 1 1 473.643 2.362 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)CC1 ZINC000020414948 521679767 /nfs/dbraw/zinc/67/97/67/521679767.db2.gz FZHMWHSXMXLLHR-UHFFFAOYSA-N 1 1 459.664 2.306 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000020488477 521679953 /nfs/dbraw/zinc/67/99/53/521679953.db2.gz UEMVCLZSZYPVCW-UHFFFAOYSA-N 1 1 456.591 2.105 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CCN(C(=O)[C@H]1CCCCC[N@H+]1C)CC2 ZINC000012218757 522018695 /nfs/dbraw/zinc/01/86/95/522018695.db2.gz QGHWRKMXVBVIQX-OAQYLSRUSA-N 1 1 484.572 2.185 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)Cc3ccsc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000012244550 523317895 /nfs/dbraw/zinc/31/78/95/523317895.db2.gz SMNYUEFKRYVABA-JOCHJYFZSA-N 1 1 470.639 2.224 50 0 JEAAMO COc1ccc(C(=O)N2C[C@H](C(=O)N3CC[NH+](C)CC3)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000036059578 523671374 /nfs/dbraw/zinc/67/13/74/523671374.db2.gz WXSTUMRSCSEAIM-PKTZIBPZSA-N 1 1 467.566 2.342 50 0 JEAAMO COc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000033135595 523695032 /nfs/dbraw/zinc/69/50/32/523695032.db2.gz ODYXHAYRUVGZMF-JOCHJYFZSA-N 1 1 486.638 2.245 50 0 JEAAMO COc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000033135595 523695038 /nfs/dbraw/zinc/69/50/38/523695038.db2.gz ODYXHAYRUVGZMF-JOCHJYFZSA-N 1 1 486.638 2.245 50 0 JEAAMO COc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000033135595 523695050 /nfs/dbraw/zinc/69/50/50/523695050.db2.gz ODYXHAYRUVGZMF-JOCHJYFZSA-N 1 1 486.638 2.245 50 0 JEAAMO CC[C@H](C(=O)NCCC[NH+]1CCN(CC)CC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971063 523773288 /nfs/dbraw/zinc/77/32/88/523773288.db2.gz SZXSDLUIXKMMEB-JOCHJYFZSA-N 1 1 479.629 2.294 50 0 JEAAMO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2cccs2)CC1 ZINC000048303508 523922388 /nfs/dbraw/zinc/92/23/88/523922388.db2.gz QXXDJJBYZFMIFL-MRXNPFEDSA-N 1 1 479.596 2.011 50 0 JEAAMO CN1CCc2c(sc3nc(N4CC[NH+](CCO)CC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020358023 523994514 /nfs/dbraw/zinc/99/45/14/523994514.db2.gz COXHJVLRLMJPQF-UHFFFAOYSA-N 1 1 460.003 2.203 50 0 JEAAMO CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC)CC[NH+](C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033459 524015403 /nfs/dbraw/zinc/01/54/03/524015403.db2.gz OTRCERVFXNFRDL-UHFFFAOYSA-N 1 1 487.670 2.483 50 0 JEAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022787659 524287919 /nfs/dbraw/zinc/28/79/19/524287919.db2.gz BEFFDNMSDJHJEI-HNNXBMFYSA-N 1 1 454.596 2.415 50 0 JEAAMO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022908929 524508173 /nfs/dbraw/zinc/50/81/73/524508173.db2.gz IOPIHEICPADPHV-UHFFFAOYSA-N 1 1 458.584 2.194 50 0 JEAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000020406970 524874425 /nfs/dbraw/zinc/87/44/25/524874425.db2.gz CLZFAFRLXKTZTB-UHFFFAOYSA-N 1 1 487.622 2.449 50 0 JEAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cc(C)cc(C)c2)cc1OC ZINC000019913289 525007774 /nfs/dbraw/zinc/00/77/74/525007774.db2.gz PLUYQMQRFWUNFA-UHFFFAOYSA-N 1 1 461.584 2.290 50 0 JEAAMO COc1ccc([C@@H](C[NH+]2CCOCC2)c2nc(-c3ccccc3)nn(CN3CCOCC3)c2=O)cc1 ZINC000020432215 525179653 /nfs/dbraw/zinc/17/96/53/525179653.db2.gz GJVAPRLYMFEGBP-XMMPIXPASA-N 1 1 491.592 2.068 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000045945433 525510896 /nfs/dbraw/zinc/51/08/96/525510896.db2.gz XFMSWZNSNKILHB-SFTDATJTSA-N 1 1 464.676 2.094 50 0 JEAAMO Cc1ccc([C@H](C[NH+]2CCOCC2)c2nc(-c3ccccc3)nn(CN3CCOCC3)c2=O)cc1 ZINC000020432213 525954514 /nfs/dbraw/zinc/95/45/14/525954514.db2.gz RTLURBLRPVBJGZ-DEOSSOPVSA-N 1 1 475.593 2.368 50 0 JEAAMO O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000013847199 526702630 /nfs/dbraw/zinc/70/26/30/526702630.db2.gz NLNBBVZYSTUZTR-UHFFFAOYSA-N 1 1 496.427 2.483 50 0 JEAAMO Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000035502928 526865002 /nfs/dbraw/zinc/86/50/02/526865002.db2.gz RVJMQGCRPYKADM-MRXNPFEDSA-N 1 1 481.644 2.405 50 0 JEAAMO O=S(=O)(c1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC000016211464 527278062 /nfs/dbraw/zinc/27/80/62/527278062.db2.gz PHDNYEISKMBOSN-UHFFFAOYSA-N 1 1 460.625 2.222 50 0 JEAAMO O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCCC[NH+]1CCOCC1 ZINC000020415754 527424174 /nfs/dbraw/zinc/42/41/74/527424174.db2.gz MPSXOVWBUNWAHM-UHFFFAOYSA-N 1 1 459.550 2.238 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036255986 527670483 /nfs/dbraw/zinc/67/04/83/527670483.db2.gz VMSXACNSHQMEMW-HSZRJFAPSA-N 1 1 477.049 2.495 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000036256135 527671442 /nfs/dbraw/zinc/67/14/42/527671442.db2.gz JGTIAKWUPJBVRR-HSZRJFAPSA-N 1 1 478.584 2.120 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035458530 527673906 /nfs/dbraw/zinc/67/39/06/527673906.db2.gz CPNIWXZZLZALAS-XMMPIXPASA-N 1 1 476.577 2.290 50 0 JEAAMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC ZINC000000638654 553722649 /nfs/dbraw/zinc/72/26/49/553722649.db2.gz MQIDTAUUQRHSDO-UHFFFAOYSA-N 1 1 463.947 2.394 50 0 JEAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)NC)C1 ZINC000009414094 555181235 /nfs/dbraw/zinc/18/12/35/555181235.db2.gz TUUWCFKZZBFACK-UHFFFAOYSA-N 1 1 464.613 2.378 50 0 JEAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)NC)C1 ZINC000009414094 555181237 /nfs/dbraw/zinc/18/12/37/555181237.db2.gz TUUWCFKZZBFACK-UHFFFAOYSA-N 1 1 464.613 2.378 50 0 JEAAMO O=C(CNC(=O)Cc1ccccc1)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013152865 555359176 /nfs/dbraw/zinc/35/91/76/555359176.db2.gz QXGFSMXTWUNJSH-UHFFFAOYSA-N 1 1 484.600 2.395 50 0 JEAAMO COCCC[N@@H+](CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccco1 ZINC000009747632 555479508 /nfs/dbraw/zinc/47/95/08/555479508.db2.gz HTSDHWGXCGEWIB-SFHVURJKSA-N 1 1 490.630 2.129 50 0 JEAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1 ZINC000019836488 555507165 /nfs/dbraw/zinc/50/71/65/555507165.db2.gz JBABWKGGVATZDP-UHFFFAOYSA-N 1 1 483.544 2.360 50 0 JEAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1 ZINC000019836488 555507167 /nfs/dbraw/zinc/50/71/67/555507167.db2.gz JBABWKGGVATZDP-UHFFFAOYSA-N 1 1 483.544 2.360 50 0 JEAAMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000019944605 555562818 /nfs/dbraw/zinc/56/28/18/555562818.db2.gz AORVRJULZHXKFS-UHFFFAOYSA-N 1 1 482.002 2.382 50 0 JEAAMO O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000013856368 555634734 /nfs/dbraw/zinc/63/47/34/555634734.db2.gz YTLBSHSBDMNWDP-UHFFFAOYSA-N 1 1 496.427 2.483 50 0 JEAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020105004 555638075 /nfs/dbraw/zinc/63/80/75/555638075.db2.gz HUBCZXJZXXWVEX-DQEYMECFSA-N 1 1 479.577 2.379 50 0 JEAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CCc3c(C)nc4c(c3C)c(=O)n(C)c(=O)n4C)C2)cc1 ZINC000020284094 555753442 /nfs/dbraw/zinc/75/34/42/555753442.db2.gz RZVUSHQSOAWYOC-NRFANRHFSA-N 1 1 477.609 2.128 50 0 JEAAMO Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)c(=O)c2ccccc12 ZINC000020533296 555804562 /nfs/dbraw/zinc/80/45/62/555804562.db2.gz JISBDYSDFAIXLC-UHFFFAOYSA-N 1 1 460.538 2.105 50 0 JEAAMO Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C1)nnc2C ZINC000020564940 555819516 /nfs/dbraw/zinc/81/95/16/555819516.db2.gz MUPMJGRTBQHRKK-QFIPXVFZSA-N 1 1 490.656 2.402 50 0 JEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(OC)c2OC)CC3)o1 ZINC000011841020 555833860 /nfs/dbraw/zinc/83/38/60/555833860.db2.gz CPBXOMPNEVNHOM-UHFFFAOYSA-N 1 1 455.515 2.023 50 0 JEAAMO O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000020601733 555842219 /nfs/dbraw/zinc/84/22/19/555842219.db2.gz VEEDZRCLQSKIQD-QFIPXVFZSA-N 1 1 454.615 2.404 50 0 JEAAMO CCCNC(=O)CSc1nnc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000022094054 555873216 /nfs/dbraw/zinc/87/32/16/555873216.db2.gz CKDHEBSGGQURBM-UHFFFAOYSA-N 1 1 487.717 2.400 50 0 JEAAMO Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000011998043 555880701 /nfs/dbraw/zinc/88/07/01/555880701.db2.gz GPXPVPAZVZTABA-WMZOPIPTSA-N 1 1 481.596 2.016 50 0 JEAAMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000022325347 555922001 /nfs/dbraw/zinc/92/20/01/555922001.db2.gz NXGZZDBBCSYQNN-HOTGVXAUSA-N 1 1 474.631 2.421 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccccc1OC)CC2 ZINC000012158636 555929638 /nfs/dbraw/zinc/92/96/38/555929638.db2.gz KHBQPACQKZSPHO-ZLQZBKBYSA-N 1 1 495.576 2.072 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccccc1OC)CC2 ZINC000012158636 555929640 /nfs/dbraw/zinc/92/96/40/555929640.db2.gz KHBQPACQKZSPHO-ZLQZBKBYSA-N 1 1 495.576 2.072 50 0 JEAAMO CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015680919 555949948 /nfs/dbraw/zinc/94/99/48/555949948.db2.gz XLWVDZNHLPRSAO-QHCPKHFHSA-N 1 1 462.660 2.240 50 0 JEAAMO CC[C@H](CN1CCOCC1)NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726490 555965140 /nfs/dbraw/zinc/96/51/40/555965140.db2.gz LGMYLLMGVCPZPQ-HXUWFJFHSA-N 1 1 487.601 2.193 50 0 JEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000022930911 555984122 /nfs/dbraw/zinc/98/41/22/555984122.db2.gz OGCGTUMDZDAJQD-UHFFFAOYSA-N 1 1 467.589 2.035 50 0 JEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023194015 556030189 /nfs/dbraw/zinc/03/01/89/556030189.db2.gz FNMCJBQNAKMRCG-FQEVSTJZSA-N 1 1 474.602 2.165 50 0 JEAAMO COc1cc(OC)cc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015864148 556039049 /nfs/dbraw/zinc/03/90/49/556039049.db2.gz LNQIXQNBFQOCCW-UHFFFAOYSA-N 1 1 480.609 2.242 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c1 ZINC000015868812 556046800 /nfs/dbraw/zinc/04/68/00/556046800.db2.gz NGTOEPAVBVLPRS-UHFFFAOYSA-N 1 1 486.059 2.383 50 0 JEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)ccc1OC ZINC000023337655 556047092 /nfs/dbraw/zinc/04/70/92/556047092.db2.gz CDOJEKIELDKUCD-KRWDZBQOSA-N 1 1 457.575 2.348 50 0 JEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)ccc1OC ZINC000023337653 556047333 /nfs/dbraw/zinc/04/73/33/556047333.db2.gz CDOJEKIELDKUCD-QGZVFWFLSA-N 1 1 457.575 2.348 50 0 JEAAMO COc1ccc(-c2cnc3ncnn3c2N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000023434144 556057365 /nfs/dbraw/zinc/05/73/65/556057365.db2.gz WIJPHDCDWSUZJT-GOSISDBHSA-N 1 1 451.575 2.272 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000015919322 556067025 /nfs/dbraw/zinc/06/70/25/556067025.db2.gz VUODHDQYXMJVPA-UHFFFAOYSA-N 1 1 465.547 2.202 50 0 JEAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023761305 556087565 /nfs/dbraw/zinc/08/75/65/556087565.db2.gz UODDMUOPFKXOAZ-UHFFFAOYSA-N 1 1 450.583 2.486 50 0 JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016009793 556108706 /nfs/dbraw/zinc/10/87/06/556108706.db2.gz CQMXSNBQIVWRQK-XQNUDUSMSA-N 1 1 487.343 2.098 50 0 JEAAMO COC(=O)[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927039 556164076 /nfs/dbraw/zinc/16/40/76/556164076.db2.gz YBIDJFBTGSKJKK-VQIMIIECSA-N 1 1 460.884 2.435 50 0 JEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C[C@H](C)O1 ZINC000025148486 556187485 /nfs/dbraw/zinc/18/74/85/556187485.db2.gz BYHHOXMUOCNPFS-GJZGRUSLSA-N 1 1 483.539 2.364 50 0 JEAAMO 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O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000030015591 556362500 /nfs/dbraw/zinc/36/25/00/556362500.db2.gz XCWKYHYTNHTCJG-VXKWHMMOSA-N 1 1 457.571 2.117 50 0 JEAAMO COc1cccc([C@@]2(CC(=O)N(C)CCC[NH+]3CCOCC3)CC(=O)N(C3CCCC3)C2=O)c1 ZINC000019742195 556364621 /nfs/dbraw/zinc/36/46/21/556364621.db2.gz UZRVKAAZMHLWAE-AREMUKBSSA-N 1 1 471.598 2.205 50 0 JEAAMO O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031812000 556406454 /nfs/dbraw/zinc/40/64/54/556406454.db2.gz YDKYGSYCKGZNGK-FQEVSTJZSA-N 1 1 452.530 2.029 50 0 JEAAMO O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031812006 556406499 /nfs/dbraw/zinc/40/64/99/556406499.db2.gz YDKYGSYCKGZNGK-HXUWFJFHSA-N 1 1 452.530 2.029 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 ZINC000032666628 556467131 /nfs/dbraw/zinc/46/71/31/556467131.db2.gz QAACFEHNVUYUMG-GOSISDBHSA-N 1 1 489.594 2.230 50 0 JEAAMO CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032819200 556503737 /nfs/dbraw/zinc/50/37/37/556503737.db2.gz VMGIDDZOVVLYJO-JOCHJYFZSA-N 1 1 463.575 2.277 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000032863579 556515167 /nfs/dbraw/zinc/51/51/67/556515167.db2.gz YBQLPPSLICBUKH-MRXNPFEDSA-N 1 1 493.457 2.366 50 0 JEAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000032915607 556539363 /nfs/dbraw/zinc/53/93/63/556539363.db2.gz JAOZODLPHLGMKW-JOCHJYFZSA-N 1 1 488.629 2.290 50 0 JEAAMO CCCC[N@@H+](C)CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008604153 562946258 /nfs/dbraw/zinc/94/62/58/562946258.db2.gz SCTVXHFKTLXULB-UHFFFAOYSA-N 1 1 494.658 2.071 50 0 JEAAMO Cn1cc(C(=O)NCC[N@@H+](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008680476 562950926 /nfs/dbraw/zinc/95/09/26/562950926.db2.gz GXKWPDLBBHQOCO-UHFFFAOYSA-N 1 1 496.633 2.227 50 0 JEAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3ccccc3F)c2c(=O)[nH]c1=O ZINC000056952706 569593414 /nfs/dbraw/zinc/59/34/14/569593414.db2.gz BBXIOAGPTWQAJZ-UHFFFAOYSA-N 1 1 466.492 2.072 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000057292048 569595994 /nfs/dbraw/zinc/59/59/94/569595994.db2.gz YALLKSUYSRUFCL-GOSISDBHSA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000057292048 569595996 /nfs/dbraw/zinc/59/59/96/569595996.db2.gz YALLKSUYSRUFCL-GOSISDBHSA-N 1 1 481.615 2.401 50 0 JEAAMO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414458 569599822 /nfs/dbraw/zinc/59/98/22/569599822.db2.gz RPDVXMGCQYQBJN-HSZRJFAPSA-N 1 1 472.586 2.435 50 0 JEAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1N1CCCC1 ZINC000008726012 569600535 /nfs/dbraw/zinc/60/05/35/569600535.db2.gz PUKPTTQASVCJJL-UHFFFAOYSA-N 1 1 474.602 2.391 50 0 JEAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1N1CCCC1 ZINC000008726012 569600537 /nfs/dbraw/zinc/60/05/37/569600537.db2.gz PUKPTTQASVCJJL-UHFFFAOYSA-N 1 1 474.602 2.391 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)CC1 ZINC000033018521 569618348 /nfs/dbraw/zinc/61/83/48/569618348.db2.gz RFOICHILDUIIEW-UHFFFAOYSA-N 1 1 458.566 2.065 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565642 569619181 /nfs/dbraw/zinc/61/91/81/569619181.db2.gz NAEXOLWBAMDJDQ-LJQANCHMSA-N 1 1 480.613 2.328 50 0 JEAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCC3)c2)c1 ZINC000065025323 569650793 /nfs/dbraw/zinc/65/07/93/569650793.db2.gz WSKVTQBTRJJIGU-UHFFFAOYSA-N 1 1 473.599 2.363 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811704 569661997 /nfs/dbraw/zinc/66/19/97/569661997.db2.gz HUASDTSBIIZRKL-UHFFFAOYSA-N 1 1 466.369 2.298 50 0 JEAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000034890331 569669326 /nfs/dbraw/zinc/66/93/26/569669326.db2.gz JVYMFSNCEFYBMV-FNZWTVRRSA-N 1 1 477.565 2.312 50 0 JEAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000034890331 569669328 /nfs/dbraw/zinc/66/93/28/569669328.db2.gz JVYMFSNCEFYBMV-FNZWTVRRSA-N 1 1 477.565 2.312 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000034927827 569673150 /nfs/dbraw/zinc/67/31/50/569673150.db2.gz BZCMWTJRIRMAIZ-BJKOFHAPSA-N 1 1 451.567 2.452 50 0 JEAAMO C[C@@H]1C[C@H](C)CN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000035401532 569690934 /nfs/dbraw/zinc/69/09/34/569690934.db2.gz SQFVTMMTABJCSL-CALCHBBNSA-N 1 1 477.096 2.192 50 0 JEAAMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401639 569690954 /nfs/dbraw/zinc/69/09/54/569690954.db2.gz JWJNCDYJWIKEDT-QZTJIDSGSA-N 1 1 472.602 2.040 50 0 JEAAMO 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/nfs/dbraw/zinc/83/83/32/519838332.db2.gz WCGRACOOMANENT-OAQYLSRUSA-N 1 1 464.676 2.497 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000033255782 521641616 /nfs/dbraw/zinc/64/16/16/521641616.db2.gz WBHGHYGJWCJULG-QRVBRYPASA-N 1 1 463.600 2.133 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000016475163 521663346 /nfs/dbraw/zinc/66/33/46/521663346.db2.gz JPRJLNYISURRTN-UHFFFAOYSA-N 1 1 461.584 2.372 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)CC1 ZINC000033267333 521667120 /nfs/dbraw/zinc/66/71/20/521667120.db2.gz JTGXRNXHUGBUNN-LJQANCHMSA-N 1 1 459.554 2.406 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)CC1 ZINC000021717947 521669311 /nfs/dbraw/zinc/66/93/11/521669311.db2.gz NNTSSNSKJCDDJV-KRWDZBQOSA-N 1 1 482.006 2.263 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)Cn2ncc3c(C)n(Cc4ccc(C)cc4)c(C)c3c2=O)CC1 ZINC000020417166 521680137 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O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011881086 555849323 /nfs/dbraw/zinc/84/93/23/555849323.db2.gz SHFAHAVXIRVPFX-UHFFFAOYSA-N 1 1 465.529 2.148 50 0 JEAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000015046940 555866057 /nfs/dbraw/zinc/86/60/57/555866057.db2.gz SYYCCQCEXVSLLX-SFHVURJKSA-N 1 1 479.574 2.493 50 0 JEAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000015046940 555866059 /nfs/dbraw/zinc/86/60/59/555866059.db2.gz SYYCCQCEXVSLLX-SFHVURJKSA-N 1 1 479.574 2.493 50 0 JEAAMO Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000011998035 555880693 /nfs/dbraw/zinc/88/06/93/555880693.db2.gz GPXPVPAZVZTABA-FUHWJXTLSA-N 1 1 481.596 2.016 50 0 JEAAMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 ZINC000011998436 555881020 /nfs/dbraw/zinc/88/10/20/555881020.db2.gz CLRDCSBKDYRLNJ-IBGZPJMESA-N 1 1 481.596 2.098 50 0 JEAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000011998464 555881029 /nfs/dbraw/zinc/88/10/29/555881029.db2.gz XEQLDHJNJOPXOD-LJQANCHMSA-N 1 1 495.623 2.406 50 0 JEAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015276016 555891535 /nfs/dbraw/zinc/89/15/35/555891535.db2.gz UNBYXIODLHBJIW-JTHBVZDNSA-N 1 1 491.635 2.013 50 0 JEAAMO CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022908961 555965900 /nfs/dbraw/zinc/96/59/00/555965900.db2.gz ANUUHIJVAZOZND-UHFFFAOYSA-N 1 1 485.610 2.144 50 0 JEAAMO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCC([N@@H+](C)CCCN4CCOCC4)CC3)ccc2S1 ZINC000015730917 555973232 /nfs/dbraw/zinc/97/32/32/555973232.db2.gz VWMLAJDAVDKRQP-SFHVURJKSA-N 1 1 496.699 2.317 50 0 JEAAMO Cc1noc2ncnc(N3CCC(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)CC3)c12 ZINC000022937214 555990094 /nfs/dbraw/zinc/99/00/94/555990094.db2.gz IOPMMSZLOOTPBO-UHFFFAOYSA-N 1 1 477.613 2.467 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000015868980 556047488 /nfs/dbraw/zinc/04/74/88/556047488.db2.gz MRJSBIPWGLCZKG-UHFFFAOYSA-N 1 1 479.668 2.162 50 0 JEAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000015941551 556076721 /nfs/dbraw/zinc/07/67/21/556076721.db2.gz YDBLVKOEVKREPM-BQYQJAHWSA-N 1 1 476.574 2.467 50 0 JEAAMO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000023538085 556077033 /nfs/dbraw/zinc/07/70/33/556077033.db2.gz OVIMSIDTBKUAJU-UHFFFAOYSA-N 1 1 465.616 2.245 50 0 JEAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(=O)OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015959057 556090764 /nfs/dbraw/zinc/09/07/64/556090764.db2.gz GUZDMUFNZNVQGQ-KKPNIWNPSA-N 1 1 459.502 2.467 50 0 biogenic JEAAMO COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023934743 556101509 /nfs/dbraw/zinc/10/15/09/556101509.db2.gz RRCKGMGTCGQMSF-UHFFFAOYSA-N 1 1 468.583 2.220 50 0 JEAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4Cl)C(=O)[C@H]31)C(=O)N2 ZINC000016012786 556111655 /nfs/dbraw/zinc/11/16/55/556111655.db2.gz REEZZPMNYMBZSP-VGHKVXAASA-N 1 1 487.343 2.098 50 0 JEAAMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000023994724 556115140 /nfs/dbraw/zinc/11/51/40/556115140.db2.gz GCDMMFHHQSRUHT-UHFFFAOYSA-N 1 1 486.667 2.462 50 0 JEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016033758 556118042 /nfs/dbraw/zinc/11/80/42/556118042.db2.gz BDQOOIWUMIKDSI-XQNUDUSMSA-N 1 1 487.343 2.098 50 0 JEAAMO COC(=O)[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927043 556164106 /nfs/dbraw/zinc/16/41/06/556164106.db2.gz YBIDJFBTGSKJKK-QFBILLFUSA-N 1 1 460.884 2.435 50 0 JEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016992693 556196041 /nfs/dbraw/zinc/19/60/41/556196041.db2.gz UYXXAFKVGCDAGA-GOSISDBHSA-N 1 1 471.558 2.293 50 0 JEAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)sc2C1 ZINC000013027459 556220405 /nfs/dbraw/zinc/22/04/05/556220405.db2.gz LHRXYLBGFOXHLW-UHFFFAOYSA-N 1 1 450.586 2.103 50 0 JEAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)sc2C1 ZINC000013027459 556220409 /nfs/dbraw/zinc/22/04/09/556220409.db2.gz LHRXYLBGFOXHLW-UHFFFAOYSA-N 1 1 450.586 2.103 50 0 JEAAMO CCC(CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000026307614 556252113 /nfs/dbraw/zinc/25/21/13/556252113.db2.gz RGKQPEPFIXANDZ-OAQYLSRUSA-N 1 1 487.066 2.493 50 0 JEAAMO Cc1cc(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 ZINC000013070635 556268017 /nfs/dbraw/zinc/26/80/17/556268017.db2.gz SBBYAJIVKADVLR-UHFFFAOYSA-N 1 1 472.611 2.328 50 0 JEAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000013117434 556327172 /nfs/dbraw/zinc/32/71/72/556327172.db2.gz AVBZVHCPDWBVBL-KRWDZBQOSA-N 1 1 475.567 2.204 50 0 JEAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000013117434 556327175 /nfs/dbraw/zinc/32/71/75/556327175.db2.gz AVBZVHCPDWBVBL-KRWDZBQOSA-N 1 1 475.567 2.204 50 0 JEAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000019596995 556356462 /nfs/dbraw/zinc/35/64/62/556356462.db2.gz SQDPZXPHBJQJSD-UHFFFAOYSA-N 1 1 498.001 2.335 50 0 JEAAMO COc1ccc(CCN2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000031969753 556412303 /nfs/dbraw/zinc/41/23/03/556412303.db2.gz CNYOSHPYERCDHL-JOCHJYFZSA-N 1 1 451.567 2.439 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1 ZINC000032666630 556467093 /nfs/dbraw/zinc/46/70/93/556467093.db2.gz WWEJWGMYZKLHMC-GOSISDBHSA-N 1 1 459.568 2.221 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032674321 556468984 /nfs/dbraw/zinc/46/89/84/556468984.db2.gz LPDSNQDUDQVPHC-HXUWFJFHSA-N 1 1 453.580 2.130 50 0 JEAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952813 569593613 /nfs/dbraw/zinc/59/36/13/569593613.db2.gz UHKGPHQSQXVKKS-UHFFFAOYSA-N 1 1 462.529 2.127 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414594 569600027 /nfs/dbraw/zinc/60/00/27/569600027.db2.gz VWLHDVLHSADLQS-QHCPKHFHSA-N 1 1 450.539 2.294 50 0 JEAAMO O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCOCC1 ZINC000032987254 569609366 /nfs/dbraw/zinc/60/93/66/569609366.db2.gz NWTRKDHBWIJJTB-UHFFFAOYSA-N 1 1 453.565 2.001 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000062736131 569614950 /nfs/dbraw/zinc/61/49/50/569614950.db2.gz UTQBYZWOFVJODN-LJQANCHMSA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000062736131 569614951 /nfs/dbraw/zinc/61/49/51/569614951.db2.gz UTQBYZWOFVJODN-LJQANCHMSA-N 1 1 481.615 2.401 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)C1 ZINC000033292299 569622454 /nfs/dbraw/zinc/62/24/54/569622454.db2.gz KYIMCXGZZBGHJV-QGZVFWFLSA-N 1 1 461.588 2.373 50 0 JEAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692155 569646338 /nfs/dbraw/zinc/64/63/38/569646338.db2.gz KBSWLNZWWKJRHW-JOCHJYFZSA-N 1 1 480.565 2.174 50 0 JEAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692155 569646339 /nfs/dbraw/zinc/64/63/39/569646339.db2.gz KBSWLNZWWKJRHW-JOCHJYFZSA-N 1 1 480.565 2.174 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCCC1=O ZINC000065078810 569659078 /nfs/dbraw/zinc/65/90/78/569659078.db2.gz VGSZSQXQVUNIFZ-OAQYLSRUSA-N 1 1 490.670 2.377 50 0 JEAAMO Cc1ccc(C[NH+]2CCN(C(=O)CN3CC4=C(C3=O)[C@H](c3ccc(C)cc3)NC(=O)N4C)CC2)cc1 ZINC000034792035 569660495 /nfs/dbraw/zinc/66/04/95/569660495.db2.gz SNDLNURZJVEYPM-SANMLTNESA-N 1 1 487.604 2.440 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](CCOC)CC2)[C@H]1c1ccccc1 ZINC000034927904 569673191 /nfs/dbraw/zinc/67/31/91/569673191.db2.gz BSSOQQCJBAFZRQ-BJKOFHAPSA-N 1 1 451.567 2.404 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000035286893 569679384 /nfs/dbraw/zinc/67/93/84/569679384.db2.gz RQKJOXYVKUMWOW-HXUWFJFHSA-N 1 1 458.603 2.044 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000035286893 569679386 /nfs/dbraw/zinc/67/93/86/569679386.db2.gz RQKJOXYVKUMWOW-HXUWFJFHSA-N 1 1 458.603 2.044 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cccc(Br)c4)c(=O)c3s2)CC1 ZINC000067225935 569680966 /nfs/dbraw/zinc/68/09/66/569680966.db2.gz JHZYGVAASLDNPR-UHFFFAOYSA-N 1 1 477.388 2.396 50 0 JEAAMO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000068832108 569692447 /nfs/dbraw/zinc/69/24/47/569692447.db2.gz GAFIQWCSINDZFC-IBGZPJMESA-N 1 1 487.626 2.149 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000035445956 569695816 /nfs/dbraw/zinc/69/58/16/569695816.db2.gz MIUGIHLYJQQYDC-QFIPXVFZSA-N 1 1 467.614 2.182 50 0 JEAAMO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000071792460 569698481 /nfs/dbraw/zinc/69/84/81/569698481.db2.gz CLVODYMUIWMJCQ-RPWUZVMVSA-N 1 1 450.583 2.296 50 0 JEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc2c(c1)CCO2 ZINC000090607265 569721093 /nfs/dbraw/zinc/72/10/93/569721093.db2.gz LEBLZBKCMKXWHW-OAQYLSRUSA-N 1 1 479.624 2.133 50 0 JEAAMO COc1ccc(CCNC(=O)C[NH+]2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1OC ZINC000095472339 569723679 /nfs/dbraw/zinc/72/36/79/569723679.db2.gz UXTOLLRHWLMBIV-UHFFFAOYSA-N 1 1 480.565 2.154 50 0 JEAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908126 569723755 /nfs/dbraw/zinc/72/37/55/569723755.db2.gz NTEWPKZEVIJGTC-IFMALSPDSA-N 1 1 496.574 2.389 50 0 JEAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908126 569723756 /nfs/dbraw/zinc/72/37/56/569723756.db2.gz NTEWPKZEVIJGTC-IFMALSPDSA-N 1 1 496.574 2.389 50 0 JEAAMO CCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926707 569729718 /nfs/dbraw/zinc/72/97/18/569729718.db2.gz HNANRRIAVRLFEK-UHFFFAOYSA-N 1 1 452.603 2.158 50 0 JEAAMO CCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCN(C(C)=O)CC3)C3CCCC3)CC2)cc1 ZINC000036250406 569758283 /nfs/dbraw/zinc/75/82/83/569758283.db2.gz OTFIVBUFMJWWRH-DEOSSOPVSA-N 1 1 454.615 2.256 50 0 JEAAMO COc1ccc(C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000036382131 569773700 /nfs/dbraw/zinc/77/37/00/569773700.db2.gz KBLBUVVSCWBMBF-HNNXBMFYSA-N 1 1 456.568 2.052 50 0 JEAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000036593443 569777234 /nfs/dbraw/zinc/77/72/34/569777234.db2.gz FWJBQGCOYWSUKL-IFMALSPDSA-N 1 1 467.609 2.038 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4OC)cc32)CC1 ZINC000037519487 569792694 /nfs/dbraw/zinc/79/26/94/569792694.db2.gz NWTJVLXCOWTPAB-UHFFFAOYSA-N 1 1 481.549 2.155 50 0 JEAAMO O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000037612180 569799332 /nfs/dbraw/zinc/79/93/32/569799332.db2.gz WTKCXMKDYXKADH-NRFANRHFSA-N 1 1 469.513 2.244 50 0 JEAAMO O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000037612180 569799334 /nfs/dbraw/zinc/79/93/34/569799334.db2.gz WTKCXMKDYXKADH-NRFANRHFSA-N 1 1 469.513 2.244 50 0 JEAAMO CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Br ZINC000040012981 569813802 /nfs/dbraw/zinc/81/38/02/569813802.db2.gz WCDYEIOTZQYDIU-UHFFFAOYSA-N 1 1 496.427 2.462 50 0 JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000245226172 570055058 /nfs/dbraw/zinc/05/50/58/570055058.db2.gz JSTPPTPAHRUDNT-CDNOPDGFSA-N 1 1 451.454 2.274 50 0 JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000245226172 570055060 /nfs/dbraw/zinc/05/50/60/570055060.db2.gz JSTPPTPAHRUDNT-CDNOPDGFSA-N 1 1 451.454 2.274 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC ZINC000245240987 570058259 /nfs/dbraw/zinc/05/82/59/570058259.db2.gz WBHGHYGJWCJULG-GUDVDZBRSA-N 1 1 463.600 2.133 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245343410 570067245 /nfs/dbraw/zinc/06/72/45/570067245.db2.gz OAFQXXFNZXSTAY-WTLGNFPFSA-N 1 1 450.630 2.360 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000253396271 570095920 /nfs/dbraw/zinc/09/59/20/570095920.db2.gz AYJDQBJSTNNDJM-PCCBWWKXSA-N 1 1 486.613 2.280 50 0 biogenic JEAAMO CCn1cc(C(=O)NCC[N@@H+](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000004077948 194375094 /nfs/dbraw/zinc/37/50/94/194375094.db2.gz OUMISMNMRVPHEV-UHFFFAOYSA-N 1 1 484.622 2.176 50 0 JEAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012903553 195178529 /nfs/dbraw/zinc/17/85/29/195178529.db2.gz CRLMOAQVBWIFND-FQEVSTJZSA-N 1 1 486.638 2.420 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2F)C1=O ZINC000020785270 195225546 /nfs/dbraw/zinc/22/55/46/195225546.db2.gz BKKRENWNYVOTPG-SANMLTNESA-N 1 1 467.541 2.203 50 0 JEAAMO CCOc1ccccc1C[N@H+]1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000020913809 195246237 /nfs/dbraw/zinc/24/62/37/195246237.db2.gz JOZQSKSRYDMQAU-NRFANRHFSA-N 1 1 497.592 2.482 50 0 JEAAMO CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000020913809 195246240 /nfs/dbraw/zinc/24/62/40/195246240.db2.gz JOZQSKSRYDMQAU-NRFANRHFSA-N 1 1 497.592 2.482 50 0 JEAAMO O=C(c1cnc2sc(N3CCCCCC3)nn2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020987529 195261214 /nfs/dbraw/zinc/26/12/14/195261214.db2.gz MRALMZCYKJFBHD-UHFFFAOYSA-N 1 1 452.584 2.489 50 0 JEAAMO COCc1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OCCCc4cnn(C)c4)cc(=O)n3CC2)o1 ZINC000020999883 195265670 /nfs/dbraw/zinc/26/56/70/195265670.db2.gz ANENPHUVFNKKGR-UHFFFAOYSA-N 1 1 484.553 2.178 50 0 JEAAMO COCc1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OCCCc4cnn(C)c4)cc(=O)n3CC2)o1 ZINC000020999883 195265673 /nfs/dbraw/zinc/26/56/73/195265673.db2.gz ANENPHUVFNKKGR-UHFFFAOYSA-N 1 1 484.553 2.178 50 0 JEAAMO Cc1ccc(-n2nc(C(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)c(=O)n(C)c2=O)cc1 ZINC000021095991 195275461 /nfs/dbraw/zinc/27/54/61/195275461.db2.gz QUHDKEVZKFWEOV-UHFFFAOYSA-N 1 1 451.527 2.007 50 0 JEAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)[C@H]1CCCCN21 ZINC000021941948 195339435 /nfs/dbraw/zinc/33/94/35/195339435.db2.gz SVTOTEWOQIBCGG-XMMPIXPASA-N 1 1 489.620 2.438 50 0 JEAAMO COc1cccc(N2CCN(Cc3cccn3-c3nnc(N4CC[NH+](C)CC4)s3)CC2)c1 ZINC000058000086 195361694 /nfs/dbraw/zinc/36/16/94/195361694.db2.gz PPFHJSPJZMQQGL-UHFFFAOYSA-N 1 1 453.616 2.411 50 0 JEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000022802068 518726314 /nfs/dbraw/zinc/72/63/14/518726314.db2.gz PFAPVZPFULDSSZ-UHFFFAOYSA-N 1 1 499.578 2.403 50 0 JEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000022802068 518726325 /nfs/dbraw/zinc/72/63/25/518726325.db2.gz PFAPVZPFULDSSZ-UHFFFAOYSA-N 1 1 499.578 2.403 50 0 JEAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000036310820 519578877 /nfs/dbraw/zinc/57/88/77/519578877.db2.gz SZOMAOFCIVBNML-QFIPXVFZSA-N 1 1 459.566 2.225 50 0 JEAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000033254649 519729870 /nfs/dbraw/zinc/72/98/70/519729870.db2.gz RPDPZFLJACRSIC-GOSISDBHSA-N 1 1 464.632 2.426 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000033255783 521658298 /nfs/dbraw/zinc/65/82/98/521658298.db2.gz WBHGHYGJWCJULG-GBESFXJTSA-N 1 1 463.600 2.133 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(Br)cc4)c(=O)c3s2)CC1 ZINC000021886445 521701455 /nfs/dbraw/zinc/70/14/55/521701455.db2.gz ZOUAPHAMCSCQIY-UHFFFAOYSA-N 1 1 477.388 2.396 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000014985545 521780524 /nfs/dbraw/zinc/78/05/24/521780524.db2.gz LGUQILYAQJIMCO-FQEVSTJZSA-N 1 1 467.566 2.167 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CCN(Cc1nc(-c3ccccc3)cs1)CC2 ZINC000020450679 522016627 /nfs/dbraw/zinc/01/66/27/522016627.db2.gz WNZJOFZXIJPFBC-UHFFFAOYSA-N 1 1 493.633 2.426 50 0 JEAAMO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(OC)ccc2OC)ccc1N1CC[NH2+]CC1 ZINC000033121068 522215606 /nfs/dbraw/zinc/21/56/06/522215606.db2.gz LFIWBXMGHNIXGA-MRXNPFEDSA-N 1 1 476.599 2.443 50 0 JEAAMO COCc1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OCc4cccnc4)cc(=O)n3CC2)o1 ZINC000020450164 522977085 /nfs/dbraw/zinc/97/70/85/522977085.db2.gz VEZRRXLQVRBHPV-UHFFFAOYSA-N 1 1 453.495 2.407 50 0 JEAAMO COCc1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OCc4cccnc4)cc(=O)n3CC2)o1 ZINC000020450164 522977128 /nfs/dbraw/zinc/97/71/28/522977128.db2.gz VEZRRXLQVRBHPV-UHFFFAOYSA-N 1 1 453.495 2.407 50 0 JEAAMO COC(=O)CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000048375138 523064143 /nfs/dbraw/zinc/06/41/43/523064143.db2.gz XXZPQCDFDBUKRN-UHFFFAOYSA-N 1 1 489.594 2.020 50 0 JEAAMO COC(=O)CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000048375138 523064148 /nfs/dbraw/zinc/06/41/48/523064148.db2.gz XXZPQCDFDBUKRN-UHFFFAOYSA-N 1 1 489.594 2.020 50 0 JEAAMO CCn1c(CN2CC[NH+](Cc3ccsc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000022781261 523191310 /nfs/dbraw/zinc/19/13/10/523191310.db2.gz ZIDVOSFAJUQWNG-UHFFFAOYSA-N 1 1 489.667 2.456 50 0 JEAAMO COc1ccc(-c2noc3ncnc(N4CCC(C(=O)NCCC[NH+]5CCN(C)CC5)CC4)c32)cc1 ZINC000033084936 523305144 /nfs/dbraw/zinc/30/51/44/523305144.db2.gz PNDACPKFTIDYMN-UHFFFAOYSA-N 1 1 493.612 2.264 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000036308986 523649886 /nfs/dbraw/zinc/64/98/86/523649886.db2.gz MQDFZZBUWCNJEJ-ICSRJNTNSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000036308986 523649897 /nfs/dbraw/zinc/64/98/97/523649897.db2.gz MQDFZZBUWCNJEJ-ICSRJNTNSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[NH+]1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 ZINC000020453676 523841854 /nfs/dbraw/zinc/84/18/54/523841854.db2.gz AGGDSQKPDZBXBX-QFIPXVFZSA-N 1 1 467.488 2.045 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000035459088 523898738 /nfs/dbraw/zinc/89/87/38/523898738.db2.gz FAUJKDGLCZEFDU-VWLOTQADSA-N 1 1 489.620 2.205 50 0 JEAAMO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2cccs2)CC1 ZINC000048303506 523918126 /nfs/dbraw/zinc/91/81/26/523918126.db2.gz QXXDJJBYZFMIFL-INIZCTEOSA-N 1 1 479.596 2.011 50 0 JEAAMO C[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN2CCOCC2)C1 ZINC000020519564 523994925 /nfs/dbraw/zinc/99/49/25/523994925.db2.gz CUVHGVCYCZMHMU-UHFFFAOYSA-N 1 1 460.987 2.187 50 0 JEAAMO C[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN2CCOCC2)C1 ZINC000020519564 523994928 /nfs/dbraw/zinc/99/49/28/523994928.db2.gz CUVHGVCYCZMHMU-UHFFFAOYSA-N 1 1 460.987 2.187 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000014996230 524040119 /nfs/dbraw/zinc/04/01/19/524040119.db2.gz BUFMTOITERSITF-XMSQKQJNSA-N 1 1 457.575 2.203 50 0 JEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCN(c3nc4cccnc4s3)CC2)C1 ZINC000064955558 524087225 /nfs/dbraw/zinc/08/72/25/524087225.db2.gz KHZSDAFNXNBMQU-SFHVURJKSA-N 1 1 458.632 2.358 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000035457774 524099837 /nfs/dbraw/zinc/09/98/37/524099837.db2.gz DXNRINMSPIUKRS-HXUWFJFHSA-N 1 1 486.661 2.092 50 0 JEAAMO Cc1ccc(CC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000046140775 524248263 /nfs/dbraw/zinc/24/82/63/524248263.db2.gz JUDMXQIAPBBTCV-UHFFFAOYSA-N 1 1 450.004 2.455 50 0 JEAAMO COc1ccc(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000040118734 524491418 /nfs/dbraw/zinc/49/14/18/524491418.db2.gz FRZZBJKWXAFSSX-KRWDZBQOSA-N 1 1 451.589 2.309 50 0 JEAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)C[C@@H]2C)c1 ZINC000033269429 524554887 /nfs/dbraw/zinc/55/48/87/524554887.db2.gz JTBCWSXAJWVRPD-QFIPXVFZSA-N 1 1 487.670 2.325 50 0 JEAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059591 524897574 /nfs/dbraw/zinc/89/75/74/524897574.db2.gz BGEZOXZMVXOGKF-LEWJYISDSA-N 1 1 455.530 2.473 50 0 JEAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)CN(Cc3nccn3C)C2)cn1 ZINC000014733116 525439829 /nfs/dbraw/zinc/43/98/29/525439829.db2.gz OVHYBRFBGLXLKV-BDTNDASRSA-N 1 1 454.619 2.241 50 0 JEAAMO 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O=C(c1nn(CCc2ccccc2)c2c1C[N@@H+](Cc1ccc(O)cc1)CC2)N1CCNC(=O)CC1 ZINC000014743590 526927733 /nfs/dbraw/zinc/92/77/33/526927733.db2.gz QRWPWZDDNZKBKD-UHFFFAOYSA-N 1 1 473.577 2.352 50 0 JEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009487438 527045498 /nfs/dbraw/zinc/04/54/98/527045498.db2.gz LTFFTXDINVKMPE-NRFANRHFSA-N 1 1 485.606 2.249 50 0 JEAAMO CCCC[N@@H+](C)CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008583387 554601286 /nfs/dbraw/zinc/60/12/86/554601286.db2.gz TUCQSPHSWWTUFY-UHFFFAOYSA-N 1 1 482.672 2.148 50 0 JEAAMO O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013165180 555368254 /nfs/dbraw/zinc/36/82/54/555368254.db2.gz OPNLTCMRUHEVDA-UHFFFAOYSA-N 1 1 485.606 2.203 50 0 JEAAMO CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013375886 555393274 /nfs/dbraw/zinc/39/32/74/555393274.db2.gz QTYYFOFTCVVIPB-PMACEKPBSA-N 1 1 471.000 2.070 50 0 JEAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677535 555401817 /nfs/dbraw/zinc/40/18/17/555401817.db2.gz YFEXPDDFUQOZKU-KRWDZBQOSA-N 1 1 465.645 2.473 50 0 JEAAMO CC[N@@H+](CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccccc1 ZINC000009608515 555435937 /nfs/dbraw/zinc/43/59/37/555435937.db2.gz VEMJALFFVIQEKO-UHFFFAOYSA-N 1 1 472.611 2.220 50 0 JEAAMO C[NH+](C)[C@H](CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)c1ccco1 ZINC000009834287 555537577 /nfs/dbraw/zinc/53/75/77/555537577.db2.gz FDTMVYDTLWIEAB-LJQANCHMSA-N 1 1 497.017 2.257 50 0 JEAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)Cc1ccccc1 ZINC000009838280 555542605 /nfs/dbraw/zinc/54/26/05/555542605.db2.gz DBKCDCJRFDPDPR-GOSISDBHSA-N 1 1 473.624 2.340 50 0 JEAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020105001 555638078 /nfs/dbraw/zinc/63/80/78/555638078.db2.gz HUBCZXJZXXWVEX-RPBOFIJWSA-N 1 1 479.577 2.379 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)CC1 ZINC000020113835 555651409 /nfs/dbraw/zinc/65/14/09/555651409.db2.gz HTGMPIALWLDVBS-RPBOFIJWSA-N 1 1 495.624 2.153 50 0 JEAAMO CCc1ccc([C@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2cccc(F)c2)cc1 ZINC000014183598 555725050 /nfs/dbraw/zinc/72/50/50/555725050.db2.gz FXRHYYQUKRZHDC-MHZLTWQESA-N 1 1 482.600 2.070 50 0 JEAAMO CSc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000014198634 555730493 /nfs/dbraw/zinc/73/04/93/555730493.db2.gz MTCSGOYQNXXWOT-JOCHJYFZSA-N 1 1 455.580 2.351 50 0 JEAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000014198634 555730494 /nfs/dbraw/zinc/73/04/94/555730494.db2.gz MTCSGOYQNXXWOT-JOCHJYFZSA-N 1 1 455.580 2.351 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)CC1 ZINC000020239650 555734042 /nfs/dbraw/zinc/73/40/42/555734042.db2.gz SWKSCCAVOLJEEK-VOTSOKGWSA-N 1 1 462.572 2.311 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000014244807 555746909 /nfs/dbraw/zinc/74/69/09/555746909.db2.gz DEWDVACQZGUKSW-HSZRJFAPSA-N 1 1 477.671 2.439 50 0 JEAAMO Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1C(=O)OC(C)C ZINC000020294992 555763253 /nfs/dbraw/zinc/76/32/53/555763253.db2.gz MLBMRPJAHUPCEN-UHFFFAOYSA-N 1 1 458.584 2.477 50 0 JEAAMO Cn1c2nnc(CCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000020530598 555797796 /nfs/dbraw/zinc/79/77/96/555797796.db2.gz OKONBSZLKSEQGC-UHFFFAOYSA-N 1 1 450.568 2.310 50 0 JEAAMO COc1ccc(-c2cn3nc(N4CCC(C(=O)NCCC[NH+]5CCN(C)CC5)CC4)sc3n2)cc1 ZINC000020531940 555799746 /nfs/dbraw/zinc/79/97/46/555799746.db2.gz BWPRTKQCNPJKCP-UHFFFAOYSA-N 1 1 497.669 2.437 50 0 JEAAMO O=C(NCCN1CCOCC1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014531284 555818702 /nfs/dbraw/zinc/81/87/02/555818702.db2.gz JYTPLBLDKLJYHX-SHQCIBLASA-N 1 1 480.653 2.059 50 0 JEAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000020573460 555825289 /nfs/dbraw/zinc/82/52/89/555825289.db2.gz DUSBETSVXILJKT-RTNRFSENSA-N 1 1 458.628 2.340 50 0 JEAAMO Cc1csc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014538882 555828671 /nfs/dbraw/zinc/82/86/71/555828671.db2.gz INNVSMBWJGVBCJ-UHFFFAOYSA-N 1 1 493.651 2.197 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)c1ccc(C(C)=O)s1)CC2 ZINC000014539395 555829341 /nfs/dbraw/zinc/82/93/41/555829341.db2.gz OALUUQINNWYYMX-KRWDZBQOSA-N 1 1 487.626 2.206 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)CSc1ccccc1)CC2 ZINC000014540734 555830723 /nfs/dbraw/zinc/83/07/23/555830723.db2.gz QBVNLKFBGSCGLX-IBGZPJMESA-N 1 1 485.654 2.421 50 0 JEAAMO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)cc1 ZINC000015069212 555869187 /nfs/dbraw/zinc/86/91/87/555869187.db2.gz DDMZPDNDJPOUPX-HSZRJFAPSA-N 1 1 480.609 2.242 50 0 JEAAMO Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC000012080314 555903061 /nfs/dbraw/zinc/90/30/61/555903061.db2.gz XJWMYRKAOZODDA-OAQYLSRUSA-N 1 1 450.539 2.418 50 0 JEAAMO O=C(CSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1)N1CCCC1 ZINC000015414146 555905643 /nfs/dbraw/zinc/90/56/43/555905643.db2.gz PZOWLFGUUWZDNV-UHFFFAOYSA-N 1 1 455.609 2.466 50 0 JEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012164901 555932462 /nfs/dbraw/zinc/93/24/62/555932462.db2.gz AQJMZHNZUAFGHG-MRXNPFEDSA-N 1 1 466.542 2.248 50 0 JEAAMO CC[C@@H](CN1CCOCC1)NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726488 555965180 /nfs/dbraw/zinc/96/51/80/555965180.db2.gz LGMYLLMGVCPZPQ-FQEVSTJZSA-N 1 1 487.601 2.193 50 0 JEAAMO CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022909026 555966488 /nfs/dbraw/zinc/96/64/88/555966488.db2.gz HWLVACLZLUUZEN-UHFFFAOYSA-N 1 1 470.595 2.388 50 0 JEAAMO COC(=O)CCC(=O)N1CCOc2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)cc2C1 ZINC000022909987 555967641 /nfs/dbraw/zinc/96/76/41/555967641.db2.gz INYHUIDICRXPCN-UHFFFAOYSA-N 1 1 452.555 2.074 50 0 JEAAMO Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000015734423 555980042 /nfs/dbraw/zinc/98/00/42/555980042.db2.gz YHSKIGNKRXGSPX-UHFFFAOYSA-N 1 1 455.607 2.041 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000022934964 555987823 /nfs/dbraw/zinc/98/78/23/555987823.db2.gz QYECXPMTOJJDHZ-UHFFFAOYSA-N 1 1 457.040 2.272 50 0 JEAAMO C[C@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000015868927 556047529 /nfs/dbraw/zinc/04/75/29/556047529.db2.gz HXVBGOGKXNQMCP-GOSISDBHSA-N 1 1 486.059 2.369 50 0 JEAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015956645 556088442 /nfs/dbraw/zinc/08/84/42/556088442.db2.gz CLWQBSBRNHEKIC-PNOLHXSVSA-N 1 1 459.502 2.405 50 0 biogenic JEAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(=O)OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015958154 556089553 /nfs/dbraw/zinc/08/95/53/556089553.db2.gz BVXVJDXDVZXLNT-GTPNXJITSA-N 1 1 459.502 2.467 50 0 biogenic JEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000023845764 556091797 /nfs/dbraw/zinc/09/17/97/556091797.db2.gz YIQFYIYKBGKORC-JOCHJYFZSA-N 1 1 457.596 2.410 50 0 JEAAMO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023995605 556115794 /nfs/dbraw/zinc/11/57/94/556115794.db2.gz CSNGHNIYOJTUIN-UHFFFAOYSA-N 1 1 472.615 2.311 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000024096904 556121318 /nfs/dbraw/zinc/12/13/18/556121318.db2.gz SQODEASWWZDLBK-UHFFFAOYSA-N 1 1 471.623 2.483 50 0 JEAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCc1ccccc1CN1CCOCC1 ZINC000024856240 556161245 /nfs/dbraw/zinc/16/12/45/556161245.db2.gz UZMHPTRSULTXND-UHFFFAOYSA-N 1 1 450.583 2.486 50 0 JEAAMO COC(=O)[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927050 556164119 /nfs/dbraw/zinc/16/41/19/556164119.db2.gz YBIDJFBTGSKJKK-LPHOPBHVSA-N 1 1 460.884 2.435 50 0 JEAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@@H]4CC(=O)N(c5ccccc5)C4=O)CC3)n2)cc1OC ZINC000025174561 556202374 /nfs/dbraw/zinc/20/23/74/556202374.db2.gz MNJVEAWRTGEYRV-LJQANCHMSA-N 1 1 462.510 2.326 50 0 JEAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 ZINC000028878770 556343207 /nfs/dbraw/zinc/34/32/07/556343207.db2.gz OJHRUHFVJSUZGN-OAQYLSRUSA-N 1 1 453.543 2.311 50 0 JEAAMO Cn1c(C2CCC2)nc2cc(C(=O)NCCC[NH+]3CCOCC3)cc(NC(=O)[C@H]3CCCO3)c21 ZINC000019745395 556365992 /nfs/dbraw/zinc/36/59/92/556365992.db2.gz ZGVBUNZYDHXFQF-OAQYLSRUSA-N 1 1 469.586 2.410 50 0 JEAAMO COc1ccc(CCN2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000031969750 556412197 /nfs/dbraw/zinc/41/21/97/556412197.db2.gz CNYOSHPYERCDHL-QFIPXVFZSA-N 1 1 451.567 2.439 50 0 JEAAMO CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc(C3CC3)nc21 ZINC000032796541 556495443 /nfs/dbraw/zinc/49/54/43/556495443.db2.gz SYIJMOJUOHWXAR-UHFFFAOYSA-N 1 1 491.592 2.380 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000032931448 556546648 /nfs/dbraw/zinc/54/66/48/556546648.db2.gz MONODNKMOZLKNB-RBUKOAKNSA-N 1 1 464.632 2.061 50 0 JEAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@H]4CC(=O)N(c5ccc(F)cc5)C4=O)CC3)n2)cc1OC ZINC000008694555 569593176 /nfs/dbraw/zinc/59/31/76/569593176.db2.gz BDIGNPWMOJHVEF-IBGZPJMESA-N 1 1 480.500 2.465 50 0 JEAAMO Cc1ccc(Cn2c(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000056952663 569593485 /nfs/dbraw/zinc/59/34/85/569593485.db2.gz SKOLGEHRLKQJIC-UHFFFAOYSA-N 1 1 462.529 2.241 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008706846 569594575 /nfs/dbraw/zinc/59/45/75/569594575.db2.gz UBIMGMLFFFVTSY-HXUWFJFHSA-N 1 1 478.659 2.302 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000057286258 569595424 /nfs/dbraw/zinc/59/54/24/569595424.db2.gz XNKYQVYRQVJHFQ-LJQANCHMSA-N 1 1 463.625 2.262 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000057286258 569595426 /nfs/dbraw/zinc/59/54/26/569595426.db2.gz XNKYQVYRQVJHFQ-LJQANCHMSA-N 1 1 463.625 2.262 50 0 JEAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)Cc3ccccc3N3CCCC3)CC2)cc1 ZINC000008725899 569600589 /nfs/dbraw/zinc/60/05/89/569600589.db2.gz KLBVTXOENKTKKI-UHFFFAOYSA-N 1 1 498.649 2.454 50 0 JEAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)Cc3ccccc3N3CCCC3)CC2)cc1 ZINC000008725899 569600592 /nfs/dbraw/zinc/60/05/92/569600592.db2.gz KLBVTXOENKTKKI-UHFFFAOYSA-N 1 1 498.649 2.454 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1 ZINC000032974299 569605522 /nfs/dbraw/zinc/60/55/22/569605522.db2.gz WUNVCQXNAWINJF-UHFFFAOYSA-N 1 1 490.645 2.099 50 0 JEAAMO Cn1ncc2c3ccccc3n(CC(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2c1=O ZINC000064775916 569627698 /nfs/dbraw/zinc/62/76/98/569627698.db2.gz JZHMCVHXWIOBNH-UHFFFAOYSA-N 1 1 472.593 2.212 50 0 JEAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677105 569641735 /nfs/dbraw/zinc/64/17/35/569641735.db2.gz UYOTZFKSAPAUFB-SFHVURJKSA-N 1 1 470.492 2.138 50 0 JEAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677070 569641794 /nfs/dbraw/zinc/64/17/94/569641794.db2.gz KDRPVFSUVMFDPJ-OAQYLSRUSA-N 1 1 480.565 2.171 50 0 JEAAMO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC[NH+]1CCOCC1 ZINC000065061984 569655654 /nfs/dbraw/zinc/65/56/54/569655654.db2.gz BWHUCNFHQZDWPP-UHFFFAOYSA-N 1 1 450.026 2.031 50 0 JEAAMO O=C(NCc1ccccc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692156 569646270 /nfs/dbraw/zinc/64/62/70/569646270.db2.gz KBSWLNZWWKJRHW-QFIPXVFZSA-N 1 1 480.565 2.174 50 0 JEAAMO O=C(NCc1ccccc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692156 569646272 /nfs/dbraw/zinc/64/62/72/569646272.db2.gz KBSWLNZWWKJRHW-QFIPXVFZSA-N 1 1 480.565 2.174 50 0 JEAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692150 569646298 /nfs/dbraw/zinc/64/62/98/569646298.db2.gz KHKXSPNDTDAAPT-NRFANRHFSA-N 1 1 466.538 2.496 50 0 JEAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000034692150 569646299 /nfs/dbraw/zinc/64/62/99/569646299.db2.gz KHKXSPNDTDAAPT-NRFANRHFSA-N 1 1 466.538 2.496 50 0 JEAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)N1CCOCC1 ZINC000034708067 569650259 /nfs/dbraw/zinc/65/02/59/569650259.db2.gz NWNWULYYEVBNQB-XMMPIXPASA-N 1 1 458.555 2.459 50 0 JEAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000065025313 569650753 /nfs/dbraw/zinc/65/07/53/569650753.db2.gz JPFZFQMTJMVUST-UHFFFAOYSA-N 1 1 473.599 2.173 50 0 JEAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)c1 ZINC000065025328 569650787 /nfs/dbraw/zinc/65/07/87/569650787.db2.gz WKXNUMPDUYLDGC-KRWDZBQOSA-N 1 1 473.599 2.315 50 0 JEAAMO COc1cc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)cc(OC)c1 ZINC000034755410 569655741 /nfs/dbraw/zinc/65/57/41/569655741.db2.gz NJLRSPQXPOSLPV-UHFFFAOYSA-N 1 1 452.603 2.404 50 0 JEAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062276 569655804 /nfs/dbraw/zinc/65/58/04/569655804.db2.gz CWHZVBWBUORPBD-MRXNPFEDSA-N 1 1 477.096 2.192 50 0 JEAAMO COc1cccc(CC(=O)N2CCc3nc(N4CCCCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000034756412 569656504 /nfs/dbraw/zinc/65/65/04/569656504.db2.gz AOFLAWQDTAAUJN-UHFFFAOYSA-N 1 1 464.614 2.355 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(CN2C(=O)C[C@H](c3ccccc3)NC2=O)c1 ZINC000034761223 569657787 /nfs/dbraw/zinc/65/77/87/569657787.db2.gz RBRWBLHXLSECDJ-JOCHJYFZSA-N 1 1 450.539 2.322 50 0 JEAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065365267 569675471 /nfs/dbraw/zinc/67/54/71/569675471.db2.gz IOQLVIISSKIDJO-UHFFFAOYSA-N 1 1 471.505 2.151 50 0 JEAAMO CN1CC[N@@H+](CCCNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000065594718 569676294 /nfs/dbraw/zinc/67/62/94/569676294.db2.gz FROLFSKKKORJBV-QHCPKHFHSA-N 1 1 463.582 2.247 50 0 JEAAMO C[N@@H+]1CCN(CCCNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000065594718 569676296 /nfs/dbraw/zinc/67/62/96/569676296.db2.gz FROLFSKKKORJBV-QHCPKHFHSA-N 1 1 463.582 2.247 50 0 JEAAMO C[N@H+]1CCN(CCCNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000065594718 569676298 /nfs/dbraw/zinc/67/62/98/569676298.db2.gz FROLFSKKKORJBV-QHCPKHFHSA-N 1 1 463.582 2.247 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccccc4Br)c(=O)c3s2)CC1 ZINC000067225956 569680983 /nfs/dbraw/zinc/68/09/83/569680983.db2.gz LIPQKBFPUKTTEN-UHFFFAOYSA-N 1 1 491.415 2.074 50 0 JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000035374440 569684222 /nfs/dbraw/zinc/68/42/22/569684222.db2.gz IHFQYUPHFZQLSY-KEIGDMNJSA-N 1 1 457.889 2.089 50 0 JEAAMO CCC[N@@H+]1CCc2nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)[nH]c(=O)c2C1 ZINC000067291720 569685721 /nfs/dbraw/zinc/68/57/21/569685721.db2.gz BEICBMRQQFUTQP-UHFFFAOYSA-N 1 1 457.600 2.400 50 0 JEAAMO CCC[N@H+]1CCc2nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)[nH]c(=O)c2C1 ZINC000067291720 569685723 /nfs/dbraw/zinc/68/57/23/569685723.db2.gz BEICBMRQQFUTQP-UHFFFAOYSA-N 1 1 457.600 2.400 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035399013 569689359 /nfs/dbraw/zinc/68/93/59/569689359.db2.gz LYCRLTDISGGZAX-OAQYLSRUSA-N 1 1 490.670 2.377 50 0 JEAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000035401623 569690951 /nfs/dbraw/zinc/69/09/51/569690951.db2.gz GBCZZWVHMDOYMB-SFTDATJTSA-N 1 1 450.649 2.071 50 0 JEAAMO CC[NH+]1CCN(C(=O)CCc2c(C)n(C)c3cc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)CC1 ZINC000035448943 569696521 /nfs/dbraw/zinc/69/65/21/569696521.db2.gz XLEJZPLOKHMDMV-UHFFFAOYSA-N 1 1 497.596 2.131 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1)N1CCCC1 ZINC000035870497 569718232 /nfs/dbraw/zinc/71/82/32/569718232.db2.gz YUYPTFGYCNYXBD-VWNXMTODSA-N 1 1 450.558 2.427 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1)N1CCCC1 ZINC000035870497 569718234 /nfs/dbraw/zinc/71/82/34/569718234.db2.gz YUYPTFGYCNYXBD-VWNXMTODSA-N 1 1 450.558 2.427 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@H]2C1)N1CCCC1 ZINC000035870495 569718343 /nfs/dbraw/zinc/71/83/43/569718343.db2.gz YUYPTFGYCNYXBD-ISKFKSNPSA-N 1 1 450.558 2.427 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@H]2C1)N1CCCC1 ZINC000035870495 569718345 /nfs/dbraw/zinc/71/83/45/569718345.db2.gz YUYPTFGYCNYXBD-ISKFKSNPSA-N 1 1 450.558 2.427 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCc3cccs3)[C@@H]2C1)N1CCCC1 ZINC000035893460 569722840 /nfs/dbraw/zinc/72/28/40/569722840.db2.gz WWDUZIZWKSTHOT-GGAORHGYSA-N 1 1 452.624 2.392 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCc3cccs3)[C@@H]2C1)N1CCCC1 ZINC000035893460 569722841 /nfs/dbraw/zinc/72/28/41/569722841.db2.gz WWDUZIZWKSTHOT-GGAORHGYSA-N 1 1 452.624 2.392 50 0 JEAAMO C[NH+]1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000095538615 569726123 /nfs/dbraw/zinc/72/61/23/569726123.db2.gz DAWOOOIBGQBQCJ-UHFFFAOYSA-N 1 1 490.530 2.282 50 0 JEAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCN1CCOCC1)C2 ZINC000035911145 569726344 /nfs/dbraw/zinc/72/63/44/569726344.db2.gz LSSUJETVJNYDPK-AOYPEHQESA-N 1 1 482.600 2.146 50 0 JEAAMO CCCCNC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926771 569730113 /nfs/dbraw/zinc/73/01/13/569730113.db2.gz ADNUXFFVEZCOES-UHFFFAOYSA-N 1 1 481.645 2.341 50 0 JEAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000036014806 569748852 /nfs/dbraw/zinc/74/88/52/569748852.db2.gz XRNVJBJBSKPEKE-QFIPXVFZSA-N 1 1 478.549 2.474 50 0 JEAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000036015192 569748982 /nfs/dbraw/zinc/74/89/82/569748982.db2.gz OUPCDSZEMHVQQK-UHFFFAOYSA-N 1 1 474.558 2.002 50 0 JEAAMO O=C(/C=C/c1ccccc1)N1CCN([C@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1 ZINC000036256040 569758849 /nfs/dbraw/zinc/75/88/49/569758849.db2.gz DWDONWSGMNHJTD-GIPLCNRYSA-N 1 1 468.642 2.241 50 0 JEAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(I)cc1 ZINC000100552127 569764330 /nfs/dbraw/zinc/76/43/30/569764330.db2.gz TYJRTONMAYNONF-CQSZACIVSA-N 1 1 450.232 2.442 50 0 JEAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1)N1CCCC1 ZINC000036386363 569774107 /nfs/dbraw/zinc/77/41/07/569774107.db2.gz GXRCPDRFLYEIQO-LJQANCHMSA-N 1 1 455.628 2.242 50 0 JEAAMO COc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)c4cccs4)CCO3)CC2)cc1 ZINC000037611567 569799349 /nfs/dbraw/zinc/79/93/49/569799349.db2.gz YUSRJPQLYQYWEP-OAQYLSRUSA-N 1 1 457.596 2.375 50 0 JEAAMO COc1ccc(CC(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)c4cccs4)CCO3)CC2)cc1 ZINC000037611567 569799350 /nfs/dbraw/zinc/79/93/50/569799350.db2.gz YUSRJPQLYQYWEP-OAQYLSRUSA-N 1 1 457.596 2.375 50 0 JEAAMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000103992253 569839689 /nfs/dbraw/zinc/83/96/89/569839689.db2.gz CBUKRGYTRFOWLL-LICLKQGHSA-N 1 1 456.362 2.299 50 0 JEAAMO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000103992253 569839690 /nfs/dbraw/zinc/83/96/90/569839690.db2.gz CBUKRGYTRFOWLL-LICLKQGHSA-N 1 1 456.362 2.299 50 0 JEAAMO CCOC(=O)C1C(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000104279891 569844581 /nfs/dbraw/zinc/84/45/81/569844581.db2.gz NKTHJFLVSHWDLJ-VFNWGFHPSA-N 1 1 472.567 2.198 50 0 JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105344601 569852854 /nfs/dbraw/zinc/85/28/54/569852854.db2.gz IHFQYUPHFZQLSY-KOVHZAEASA-N 1 1 457.889 2.089 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1C ZINC000105851929 569853510 /nfs/dbraw/zinc/85/35/10/569853510.db2.gz DYDWRZKRUIZTCX-JOCHJYFZSA-N 1 1 464.676 2.299 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000105851929 569853511 /nfs/dbraw/zinc/85/35/11/569853511.db2.gz DYDWRZKRUIZTCX-JOCHJYFZSA-N 1 1 464.676 2.299 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000105851996 569853557 /nfs/dbraw/zinc/85/35/57/569853557.db2.gz XFMSWZNSNKILHB-NHCUHLMSSA-N 1 1 464.676 2.094 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000169680260 569870370 /nfs/dbraw/zinc/87/03/70/569870370.db2.gz SURQRPDWGSTJIV-XMSQKQJNSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000169680260 569870371 /nfs/dbraw/zinc/87/03/71/569870371.db2.gz SURQRPDWGSTJIV-XMSQKQJNSA-N 1 1 478.611 2.217 50 0 JEAAMO COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@H]1[C@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000230137981 570045704 /nfs/dbraw/zinc/04/57/04/570045704.db2.gz NTYSCHYGOKXVTA-RSXGOPAZSA-N 1 1 464.610 2.401 50 0 JEAAMO CCCC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000239425838 570051975 /nfs/dbraw/zinc/05/19/75/570051975.db2.gz VIYXAYCNUJJQSP-DPJKIVSHSA-N 1 1 484.593 2.422 50 0 JEAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000245325952 570064474 /nfs/dbraw/zinc/06/44/74/570064474.db2.gz IELZRDWZZNFRMY-MPHVSXRFSA-N 1 1 460.317 2.295 50 0 JEAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000248089493 570073739 /nfs/dbraw/zinc/07/37/39/570073739.db2.gz UNBYXIODLHBJIW-FYYLOGMGSA-N 1 1 491.635 2.013 50 0 JEAAMO CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)cc1 ZINC000252494773 570082145 /nfs/dbraw/zinc/08/21/45/570082145.db2.gz OEIFCHRNHSKCBR-GOSISDBHSA-N 1 1 458.569 2.411 50 0 JEAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3CC[NH+](C)CC3)[C@@H]21 ZINC000253397666 570096001 /nfs/dbraw/zinc/09/60/01/570096001.db2.gz BORTYVWDUWLHLP-XMMPIXPASA-N 1 1 478.549 2.373 50 0 biogenic JEAAMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000012688108 195086593 /nfs/dbraw/zinc/08/65/93/195086593.db2.gz ZKYGUAQKIGUKFC-IRLDBZIGSA-N 1 1 475.586 2.039 50 0 JEAAMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000012688114 195086827 /nfs/dbraw/zinc/08/68/27/195086827.db2.gz ZKYGUAQKIGUKFC-IFMALSPDSA-N 1 1 475.586 2.039 50 0 JEAAMO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012688856 195087288 /nfs/dbraw/zinc/08/72/88/195087288.db2.gz UCPIQLRDOMXBMG-QFIPXVFZSA-N 1 1 457.596 2.031 50 0 JEAAMO C[C@@H]1C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000012765717 195113455 /nfs/dbraw/zinc/11/34/55/195113455.db2.gz UKVWFXOCFMPDIN-KDURUIRLSA-N 1 1 463.644 2.192 50 0 JEAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012771433 195117792 /nfs/dbraw/zinc/11/77/92/195117792.db2.gz MNCFSFVOXYQKIC-UHFFFAOYSA-N 1 1 473.595 2.121 50 0 JEAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012771433 195117794 /nfs/dbraw/zinc/11/77/94/195117794.db2.gz MNCFSFVOXYQKIC-UHFFFAOYSA-N 1 1 473.595 2.121 50 0 JEAAMO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)c1C(=O)OC ZINC000012785753 195127627 /nfs/dbraw/zinc/12/76/27/195127627.db2.gz ISGKNGQILIRIIU-UHFFFAOYSA-N 1 1 462.524 2.416 50 0 JEAAMO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)c1C(=O)OC ZINC000012785753 195127629 /nfs/dbraw/zinc/12/76/29/195127629.db2.gz ISGKNGQILIRIIU-UHFFFAOYSA-N 1 1 462.524 2.416 50 0 JEAAMO CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000012891640 195173348 /nfs/dbraw/zinc/17/33/48/195173348.db2.gz XLTBXLQAKGJNBH-QQMNAOGKSA-N 1 1 484.597 2.495 50 0 biogenic JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611644 195185683 /nfs/dbraw/zinc/18/56/83/195185683.db2.gz NLCRWQGQENCJHE-BINBFKAUSA-N 1 1 480.952 2.483 50 0 biogenic JEAAMO CCn1cc(C(=O)NCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020621976 195190191 /nfs/dbraw/zinc/19/01/91/195190191.db2.gz XVAMRQDZDIOEGQ-UHFFFAOYSA-N 1 1 490.560 2.214 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)CC1 ZINC000020730639 195210049 /nfs/dbraw/zinc/21/00/49/195210049.db2.gz IIXLYWRQAMANCB-HAVVHWLPSA-N 1 1 452.530 2.346 50 0 JEAAMO O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)N1CC[NH+](C2CCCCC2)CC1 ZINC000020904572 195244910 /nfs/dbraw/zinc/24/49/10/195244910.db2.gz NHGUVJDBVVLSFR-UHFFFAOYSA-N 1 1 451.614 2.372 50 0 JEAAMO COC[C@@H](C)NC(=O)c1c(=O)cc(C)n(CCC[NH+]2CCOCC2)c1Cc1cccc(F)c1 ZINC000020906555 195245436 /nfs/dbraw/zinc/24/54/36/195245436.db2.gz NNFVHAPCZFMBBS-GOSISDBHSA-N 1 1 459.562 2.374 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000020938211 195253918 /nfs/dbraw/zinc/25/39/18/195253918.db2.gz FCXQFONCNCXEPL-LJQANCHMSA-N 1 1 467.607 2.378 50 0 JEAAMO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c(Cl)c1OC ZINC000020993975 195263006 /nfs/dbraw/zinc/26/30/06/195263006.db2.gz IRKQNFKVXOBVAY-UHFFFAOYSA-N 1 1 470.961 2.375 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c(Cl)c1OC ZINC000020993975 195263009 /nfs/dbraw/zinc/26/30/09/195263009.db2.gz IRKQNFKVXOBVAY-UHFFFAOYSA-N 1 1 470.961 2.375 50 0 JEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3c(=O)c4cccn4c4cccnc43)CC2)c1C ZINC000057991803 195360947 /nfs/dbraw/zinc/36/09/47/195360947.db2.gz UXBOBJVZVNIPOO-UHFFFAOYSA-N 1 1 458.566 2.204 50 0 JEAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)ccc2c1=O ZINC000058013910 195362264 /nfs/dbraw/zinc/36/22/64/195362264.db2.gz ZBIJKOHWXGXJLH-UHFFFAOYSA-N 1 1 463.582 2.432 50 0 JEAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058157102 195367423 /nfs/dbraw/zinc/36/74/23/195367423.db2.gz DJHHEHOSCBGVAS-OAQYLSRUSA-N 1 1 452.555 2.029 50 0 JEAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058157102 195367425 /nfs/dbraw/zinc/36/74/25/195367425.db2.gz DJHHEHOSCBGVAS-OAQYLSRUSA-N 1 1 452.555 2.029 50 0 JEAAMO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2NC(C)=O)c1 ZINC000033034219 519899128 /nfs/dbraw/zinc/89/91/28/519899128.db2.gz GRPXLVHHJXPMEH-UHFFFAOYSA-N 1 1 473.599 2.304 50 0 JEAAMO CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000022819497 520482663 /nfs/dbraw/zinc/48/26/63/520482663.db2.gz YBOCJJDCJDLXNP-TVADFSRQSA-N 1 1 498.630 2.205 50 0 JEAAMO CCOC(=O)C1C(CNC2CC(C)(C)[NH2+]C(C)(C)C2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000012412577 520517362 /nfs/dbraw/zinc/51/73/62/520517362.db2.gz VPKTVQFGYIXRDK-HXUWFJFHSA-N 1 1 458.559 2.485 50 0 JEAAMO CCCCN1C(=O)c2cc(C(=O)N3CC[NH+](CCC)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878102 520564450 /nfs/dbraw/zinc/56/44/50/520564450.db2.gz MQIHZGJIUKJYFW-RUZDIDTESA-N 1 1 472.634 2.124 50 0 JEAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945546 521191236 /nfs/dbraw/zinc/19/12/36/521191236.db2.gz NXURTCLVHIZURC-OYRHEFFESA-N 1 1 480.675 2.161 50 0 JEAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945546 521191245 /nfs/dbraw/zinc/19/12/45/521191245.db2.gz NXURTCLVHIZURC-OYRHEFFESA-N 1 1 480.675 2.161 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)CC1 ZINC000033267334 521668694 /nfs/dbraw/zinc/66/86/94/521668694.db2.gz JTGXRNXHUGBUNN-IBGZPJMESA-N 1 1 459.554 2.406 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)c2=O)CC1 ZINC000033068598 521680169 /nfs/dbraw/zinc/68/01/69/521680169.db2.gz ZDSXFUDNKOTSII-UHFFFAOYSA-N 1 1 498.027 2.009 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c3s2)CC1 ZINC000021886484 521702059 /nfs/dbraw/zinc/70/20/59/521702059.db2.gz GPQOXOMDXMASSV-UHFFFAOYSA-N 1 1 450.927 2.426 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(OC)c(C)c1C)CC2 ZINC000014994050 521781102 /nfs/dbraw/zinc/78/11/02/521781102.db2.gz AOFQEWIJMLKPIR-IBGZPJMESA-N 1 1 497.592 2.176 50 0 JEAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)c1 ZINC000033086085 521982664 /nfs/dbraw/zinc/98/26/64/521982664.db2.gz NEVUJOQTXGLHER-UHFFFAOYSA-N 1 1 463.494 2.207 50 0 JEAAMO COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000012414327 522432081 /nfs/dbraw/zinc/43/20/81/522432081.db2.gz CADGYSVKARJBNT-UHFFFAOYSA-N 1 1 483.587 2.322 50 0 JEAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@@H]4CC(=O)N(c5ccc(F)cc5)C4=O)CC3)n2)cc1OC ZINC000025174543 523270013 /nfs/dbraw/zinc/27/00/13/523270013.db2.gz BDIGNPWMOJHVEF-LJQANCHMSA-N 1 1 480.500 2.465 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000036308936 523647474 /nfs/dbraw/zinc/64/74/74/523647474.db2.gz SURQRPDWGSTJIV-AVRDEDQJSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000036308936 523647479 /nfs/dbraw/zinc/64/74/79/523647479.db2.gz SURQRPDWGSTJIV-AVRDEDQJSA-N 1 1 478.611 2.217 50 0 JEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc4c(c2)OCCO4)CC3)cc1 ZINC000014881846 523703606 /nfs/dbraw/zinc/70/36/06/523703606.db2.gz CVRWGUPMCYZJKX-UHFFFAOYSA-N 1 1 463.538 2.089 50 0 JEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(OC)cc2OC)CC3)cc1 ZINC000012280808 523704527 /nfs/dbraw/zinc/70/45/27/523704527.db2.gz YZQOCVLJXCTZFP-UHFFFAOYSA-N 1 1 465.554 2.335 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000014995718 523800446 /nfs/dbraw/zinc/80/04/46/523800446.db2.gz IUEVABAAUVNAFP-ATIYNZHBSA-N 1 1 467.541 2.374 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000014995718 523800452 /nfs/dbraw/zinc/80/04/52/523800452.db2.gz IUEVABAAUVNAFP-ATIYNZHBSA-N 1 1 467.541 2.374 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccccc2CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000035459084 523900154 /nfs/dbraw/zinc/90/01/54/523900154.db2.gz FAUJKDGLCZEFDU-RUZDIDTESA-N 1 1 489.620 2.205 50 0 JEAAMO COc1ccc(CCC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000046140933 523916957 /nfs/dbraw/zinc/91/69/57/523916957.db2.gz VGZVZRMMSSEGDR-UHFFFAOYSA-N 1 1 463.575 2.031 50 0 JEAAMO COc1ccc(CCC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000046140961 523917216 /nfs/dbraw/zinc/91/72/16/523917216.db2.gz HDBRBDCGRICLCG-OAQYLSRUSA-N 1 1 473.639 2.495 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000020510218 524223912 /nfs/dbraw/zinc/22/39/12/524223912.db2.gz CNFPZPOINDCPMH-CQSZACIVSA-N 1 1 457.980 2.073 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCC(=O)N2CCN(c3nc4cccnc4s3)CC2)C1 ZINC000064955557 524224262 /nfs/dbraw/zinc/22/42/62/524224262.db2.gz KHZSDAFNXNBMQU-GOSISDBHSA-N 1 1 458.632 2.358 50 0 JEAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140763 524440054 /nfs/dbraw/zinc/44/00/54/524440054.db2.gz XZQDQOATXRSZAV-UHFFFAOYSA-N 1 1 451.976 2.226 50 0 JEAAMO C[C@H](NCC(=O)NCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000016694821 525303584 /nfs/dbraw/zinc/30/35/84/525303584.db2.gz XOAXBMPGRSMDLO-KBPBESRZSA-N 1 1 454.468 2.477 50 0 JEAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccn1 ZINC000022697983 525324513 /nfs/dbraw/zinc/32/45/13/525324513.db2.gz XHLKOGGCDKSDGM-DEOSSOPVSA-N 1 1 452.530 2.144 50 0 JEAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000036393183 525405412 /nfs/dbraw/zinc/40/54/12/525405412.db2.gz FCFKKJRCOHOQLD-XMMPIXPASA-N 1 1 491.592 2.219 50 0 JEAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[NH+]4CCN(C)CC4)CC3)[nH]c2c1 ZINC000022938623 525621430 /nfs/dbraw/zinc/62/14/30/525621430.db2.gz OGBHJQGESYWXBM-LJQANCHMSA-N 1 1 469.630 2.419 50 0 JEAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2Cl)c1 ZINC000046140906 525921335 /nfs/dbraw/zinc/92/13/35/525921335.db2.gz PRKPXHPQDSENOT-UHFFFAOYSA-N 1 1 451.976 2.226 50 0 JEAAMO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000020417020 525991243 /nfs/dbraw/zinc/99/12/43/525991243.db2.gz RPOMFIFWFPBPED-UHFFFAOYSA-N 1 1 464.614 2.338 50 0 JEAAMO Cc1nn([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267353 526302068 /nfs/dbraw/zinc/30/20/68/526302068.db2.gz IKLBHQAEOSCPDU-FQEVSTJZSA-N 1 1 489.580 2.081 50 0 JEAAMO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000020356817 526461435 /nfs/dbraw/zinc/46/14/35/526461435.db2.gz KDGRDHOQYYEANU-OZSKJFCKSA-N 1 1 464.613 2.390 50 0 JEAAMO O=C(CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022810138 526487602 /nfs/dbraw/zinc/48/76/02/526487602.db2.gz KHESCRWFPBYTOM-UHFFFAOYSA-N 1 1 481.641 2.105 50 0 JEAAMO O=C(c1ccc(Br)cc1)N(CCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140866 526661471 /nfs/dbraw/zinc/66/14/71/526661471.db2.gz KKHNUQRATXSXNQ-UHFFFAOYSA-N 1 1 480.428 2.369 50 0 JEAAMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000022780065 526772462 /nfs/dbraw/zinc/77/24/62/526772462.db2.gz BNPZGJRXWWZFNB-IBGZPJMESA-N 1 1 466.538 2.403 50 0 JEAAMO Cn1c2ccc(S(=O)(=O)CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2oc1=O ZINC000033250233 527104233 /nfs/dbraw/zinc/10/42/33/527104233.db2.gz UKFLVXKJFUBZAD-UHFFFAOYSA-N 1 1 457.552 2.076 50 0 JEAAMO Cn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c21 ZINC000020415722 527110547 /nfs/dbraw/zinc/11/05/47/527110547.db2.gz YCIGUICBKVDBCT-UHFFFAOYSA-N 1 1 472.593 2.212 50 0 JEAAMO O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCCC[NH+]1CCOCC1 ZINC000020415826 527423890 /nfs/dbraw/zinc/42/38/90/527423890.db2.gz UHNBWDXDZLZJGD-UHFFFAOYSA-N 1 1 477.540 2.377 50 0 JEAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000014747311 527543180 /nfs/dbraw/zinc/54/31/80/527543180.db2.gz LSIZJAQADVYHIL-UHFFFAOYSA-N 1 1 471.627 2.011 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000023538142 527572172 /nfs/dbraw/zinc/57/21/72/527572172.db2.gz TWVYMDRRABUWOK-UHFFFAOYSA-N 1 1 455.646 2.300 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020416044 527669685 /nfs/dbraw/zinc/66/96/85/527669685.db2.gz ZETHMKBGDGMNFN-UHFFFAOYSA-N 1 1 490.608 2.354 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035458864 527673524 /nfs/dbraw/zinc/67/35/24/527673524.db2.gz XDQRHUKKMNYWTF-XMMPIXPASA-N 1 1 476.577 2.290 50 0 JEAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008940495 554831781 /nfs/dbraw/zinc/83/17/81/554831781.db2.gz JYNSOJDENSDQCQ-MRXNPFEDSA-N 1 1 499.559 2.007 50 0 JEAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008940495 554831782 /nfs/dbraw/zinc/83/17/82/554831782.db2.gz JYNSOJDENSDQCQ-MRXNPFEDSA-N 1 1 499.559 2.007 50 0 JEAAMO Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC000009508912 555295738 /nfs/dbraw/zinc/29/57/38/555295738.db2.gz MUCVWALITVHSSA-UHFFFAOYSA-N 1 1 458.584 2.020 50 0 JEAAMO O=C(Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000009530042 555324567 /nfs/dbraw/zinc/32/45/67/555324567.db2.gz UCQAUDDDXOSYLX-WMQCIHAUSA-N 1 1 476.668 2.290 50 0 JEAAMO CCN(C(=O)C[N@H+]1CCC[C@@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009671893 555392699 /nfs/dbraw/zinc/39/26/99/555392699.db2.gz QHYVPMIFQFHTLI-QGZVFWFLSA-N 1 1 453.568 2.419 50 0 JEAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000009584818 555393988 /nfs/dbraw/zinc/39/39/88/555393988.db2.gz SQNOUOBOWFPCDM-KDURUIRLSA-N 1 1 464.632 2.224 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009603610 555430205 /nfs/dbraw/zinc/43/02/05/555430205.db2.gz TXICCRYPRPGBPA-OAQYLSRUSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009603610 555430209 /nfs/dbraw/zinc/43/02/09/555430209.db2.gz TXICCRYPRPGBPA-OAQYLSRUSA-N 1 1 489.569 2.267 50 0 JEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000009724107 555456224 /nfs/dbraw/zinc/45/62/24/555456224.db2.gz XQGZCDWQYWYATF-QGZVFWFLSA-N 1 1 462.616 2.173 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000019851793 555511251 /nfs/dbraw/zinc/51/12/51/555511251.db2.gz QTZLLEJGPUQDNQ-KRWDZBQOSA-N 1 1 479.533 2.297 50 0 JEAAMO COc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019943709 555562003 /nfs/dbraw/zinc/56/20/03/555562003.db2.gz NCOUPQZSPVUTSD-UHFFFAOYSA-N 1 1 461.584 2.037 50 0 JEAAMO CN1C(=O)N(C)C(=O)C(Cc2ccc(Cl)cc2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000020112718 555650286 /nfs/dbraw/zinc/65/02/86/555650286.db2.gz HDYYRAUQQZSBHN-ZWKOTPCHSA-N 1 1 482.968 2.200 50 0 biogenic JEAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112852 555650476 /nfs/dbraw/zinc/65/04/76/555650476.db2.gz LBOITKBYLABDLE-LOSJGSFVSA-N 1 1 497.592 2.461 50 0 JEAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112858 555650594 /nfs/dbraw/zinc/65/05/94/555650594.db2.gz LBOITKBYLABDLE-JWQCQUIFSA-N 1 1 497.592 2.461 50 0 JEAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114195 555651747 /nfs/dbraw/zinc/65/17/47/555651747.db2.gz QOUNADHOEDLQMX-XZOQPEGZSA-N 1 1 486.638 2.430 50 0 JEAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114193 555651839 /nfs/dbraw/zinc/65/18/39/555651839.db2.gz QOUNADHOEDLQMX-DHIUTWEWSA-N 1 1 486.638 2.430 50 0 JEAAMO CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)C2)c(C)n1 ZINC000013960163 555663494 /nfs/dbraw/zinc/66/34/94/555663494.db2.gz AYYPFCOVXXKSIW-JOCHJYFZSA-N 1 1 473.643 2.265 50 0 JEAAMO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153418 555672379 /nfs/dbraw/zinc/67/23/79/555672379.db2.gz QVEZBPQYKKLAIX-IZZNHLLZSA-N 1 1 492.620 2.294 50 0 JEAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000020177366 555683092 /nfs/dbraw/zinc/68/30/92/555683092.db2.gz FBCRHUDPYABGAF-UHFFFAOYSA-N 1 1 463.538 2.327 50 0 JEAAMO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCC[N@@H+](C)Cc3ccccc3)C(C)C)ccc21 ZINC000020232160 555722170 /nfs/dbraw/zinc/72/21/70/555722170.db2.gz LINSHGRKOWCPLG-XMMPIXPASA-N 1 1 486.638 2.147 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(F)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000020235483 555728104 /nfs/dbraw/zinc/72/81/04/555728104.db2.gz XWEOJSSIAJTPPS-QHCPKHFHSA-N 1 1 468.573 2.373 50 0 JEAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2 ZINC000020271857 555748997 /nfs/dbraw/zinc/74/89/97/555748997.db2.gz VTYVDQOZJAYWRU-QGZVFWFLSA-N 1 1 479.537 2.330 50 0 JEAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2 ZINC000020271857 555748999 /nfs/dbraw/zinc/74/89/99/555748999.db2.gz VTYVDQOZJAYWRU-QGZVFWFLSA-N 1 1 479.537 2.330 50 0 JEAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2 ZINC000020271859 555749364 /nfs/dbraw/zinc/74/93/64/555749364.db2.gz VTYVDQOZJAYWRU-KRWDZBQOSA-N 1 1 479.537 2.330 50 0 JEAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2 ZINC000020271859 555749367 /nfs/dbraw/zinc/74/93/67/555749367.db2.gz VTYVDQOZJAYWRU-KRWDZBQOSA-N 1 1 479.537 2.330 50 0 JEAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CCc3c(C)nc4c(c3C)c(=O)n(C)c(=O)n4C)C2)cc1 ZINC000020284099 555753386 /nfs/dbraw/zinc/75/33/86/555753386.db2.gz RZVUSHQSOAWYOC-OAQYLSRUSA-N 1 1 477.609 2.128 50 0 JEAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn32)C1 ZINC000020530522 555797706 /nfs/dbraw/zinc/79/77/06/555797706.db2.gz WNGAMVAVQLBYSK-RTWAWAEBSA-N 1 1 476.629 2.008 50 0 JEAAMO CS(=O)(=O)CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531468 555799091 /nfs/dbraw/zinc/79/90/91/555799091.db2.gz WYTISORKOHYFQA-HSZRJFAPSA-N 1 1 469.607 2.227 50 0 JEAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000020573461 555825378 /nfs/dbraw/zinc/82/53/78/555825378.db2.gz DUSBETSVXILJKT-ULUCGAEXSA-N 1 1 458.628 2.340 50 0 JEAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccncc3)C2)CC1 ZINC000014747636 555839348 /nfs/dbraw/zinc/83/93/48/555839348.db2.gz TUDPBYOXPJMXDM-QHCPKHFHSA-N 1 1 474.602 2.159 50 0 JEAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccncc3)C2)CC1 ZINC000014747636 555839352 /nfs/dbraw/zinc/83/93/52/555839352.db2.gz TUDPBYOXPJMXDM-QHCPKHFHSA-N 1 1 474.602 2.159 50 0 JEAAMO C=C1C(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020597897 555839845 /nfs/dbraw/zinc/83/98/45/555839845.db2.gz LXCKGSJEJSVWCN-UHFFFAOYSA-N 1 1 488.654 2.327 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000020601776 555842206 /nfs/dbraw/zinc/84/22/06/555842206.db2.gz SPGTWBLRNVGHPX-UHFFFAOYSA-N 1 1 482.562 2.373 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000020601776 555842208 /nfs/dbraw/zinc/84/22/08/555842208.db2.gz SPGTWBLRNVGHPX-UHFFFAOYSA-N 1 1 482.562 2.373 50 0 JEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000021874380 555856860 /nfs/dbraw/zinc/85/68/60/555856860.db2.gz PYUHBOVCNWMLPJ-UQBPGWFLSA-N 1 1 472.634 2.171 50 0 JEAAMO CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C1=O ZINC000011997980 555880392 /nfs/dbraw/zinc/88/03/92/555880392.db2.gz KIFVATJFPVSQMF-SFHVURJKSA-N 1 1 481.596 2.098 50 0 JEAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000011998460 555880990 /nfs/dbraw/zinc/88/09/90/555880990.db2.gz XEQLDHJNJOPXOD-IBGZPJMESA-N 1 1 495.623 2.406 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000015344978 555899608 /nfs/dbraw/zinc/89/96/08/555899608.db2.gz FAFVJEYVVOCSQC-UHFFFAOYSA-N 1 1 457.596 2.440 50 0 JEAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(OCCO)cc2)CC3)c(C)c1 ZINC000012160715 555930921 /nfs/dbraw/zinc/93/09/21/555930921.db2.gz DMNRPHLLJOUHKB-UHFFFAOYSA-N 1 1 463.582 2.297 50 0 JEAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)N1CCc2ccccc21 ZINC000022908990 555965896 /nfs/dbraw/zinc/96/58/96/555965896.db2.gz QTTQIEVMSIUKOU-UHFFFAOYSA-N 1 1 454.596 2.136 50 0 JEAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022913389 555968520 /nfs/dbraw/zinc/96/85/20/555968520.db2.gz XYCFGMUYDJMLBG-UHFFFAOYSA-N 1 1 452.555 2.284 50 0 JEAAMO NC(=O)[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2O1 ZINC000022932669 555985551 /nfs/dbraw/zinc/98/55/51/555985551.db2.gz KNZHZQKGAFTDJY-HXUWFJFHSA-N 1 1 462.472 2.103 50 0 JEAAMO CS(=O)(=O)N1CCN(C(=O)CN2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)CC1 ZINC000022932859 555985560 /nfs/dbraw/zinc/98/55/60/555985560.db2.gz SIMOKWPKNFEXRK-UHFFFAOYSA-N 1 1 497.086 2.290 50 0 JEAAMO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)N3CC[NH+](CCO)CC3)c2=O)cc1 ZINC000023086517 556007852 /nfs/dbraw/zinc/00/78/52/556007852.db2.gz SJHUQDZZXYJRET-RUZDIDTESA-N 1 1 464.566 2.014 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000023129915 556018986 /nfs/dbraw/zinc/01/89/86/556018986.db2.gz XUIAOAZOAYFUHC-FQEVSTJZSA-N 1 1 469.582 2.299 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000023129915 556018989 /nfs/dbraw/zinc/01/89/89/556018989.db2.gz XUIAOAZOAYFUHC-FQEVSTJZSA-N 1 1 469.582 2.299 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000023718571 556085362 /nfs/dbraw/zinc/08/53/62/556085362.db2.gz ZFWDMNKGOAYCQI-GOSISDBHSA-N 1 1 455.646 2.300 50 0 JEAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000023805556 556088987 /nfs/dbraw/zinc/08/89/87/556088987.db2.gz WOHOWGFPHHWDHO-UHFFFAOYSA-N 1 1 468.623 2.403 50 0 JEAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015957231 556089111 /nfs/dbraw/zinc/08/91/11/556089111.db2.gz JZUUTNCIGMILIY-TWFFJXMTSA-N 1 1 451.866 2.500 50 0 biogenic JEAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015957231 556089113 /nfs/dbraw/zinc/08/91/13/556089113.db2.gz JZUUTNCIGMILIY-TWFFJXMTSA-N 1 1 451.866 2.500 50 0 biogenic JEAAMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023866885 556095258 /nfs/dbraw/zinc/09/52/58/556095258.db2.gz ZKYGUAQKIGUKFC-RBBKRZOGSA-N 1 1 475.586 2.039 50 0 JEAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4Cl)C(=O)[C@H]31)C(=O)N2 ZINC000016012781 556111711 /nfs/dbraw/zinc/11/17/11/556111711.db2.gz REEZZPMNYMBZSP-XQNUDUSMSA-N 1 1 487.343 2.098 50 0 JEAAMO COc1cc(CN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc(OC)c1 ZINC000017042503 556209020 /nfs/dbraw/zinc/20/90/20/556209020.db2.gz CVWLZWYHWHZVNJ-PXDATVDWSA-N 1 1 464.522 2.486 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000017051330 556212321 /nfs/dbraw/zinc/21/23/21/556212321.db2.gz PSVRZWMFBUSMPT-IBGZPJMESA-N 1 1 467.595 2.462 50 0 JEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000017051328 556212415 /nfs/dbraw/zinc/21/24/15/556212415.db2.gz PSVRZWMFBUSMPT-LJQANCHMSA-N 1 1 467.595 2.462 50 0 JEAAMO COCCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013032138 556230547 /nfs/dbraw/zinc/23/05/47/556230547.db2.gz MJXORZRKLCZFAX-LJQANCHMSA-N 1 1 497.621 2.435 50 0 JEAAMO CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013062896 556258417 /nfs/dbraw/zinc/25/84/17/556258417.db2.gz FMADGTCSLAYMGY-IBGZPJMESA-N 1 1 499.612 2.372 50 0 JEAAMO CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013062896 556258421 /nfs/dbraw/zinc/25/84/21/556258421.db2.gz FMADGTCSLAYMGY-IBGZPJMESA-N 1 1 499.612 2.372 50 0 JEAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCCC1 ZINC000027571988 556298474 /nfs/dbraw/zinc/29/84/74/556298474.db2.gz XCQJMRDNGWUWSE-GOSISDBHSA-N 1 1 451.614 2.415 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019744439 556365486 /nfs/dbraw/zinc/36/54/86/556365486.db2.gz RFEWAQLZBRKTMH-OAQYLSRUSA-N 1 1 483.565 2.092 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019744439 556365490 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/nfs/dbraw/zinc/23/34/78/556233478.db2.gz ROEMIQNOLRKYIG-QHCPKHFHSA-N 1 1 491.592 2.473 50 0 JEAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000013095327 556287032 /nfs/dbraw/zinc/28/70/32/556287032.db2.gz FUSNOCBSEAWMDA-SFHVURJKSA-N 1 1 491.610 2.492 50 0 JEAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000013095327 556287038 /nfs/dbraw/zinc/28/70/38/556287038.db2.gz FUSNOCBSEAWMDA-SFHVURJKSA-N 1 1 491.610 2.492 50 0 JEAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000027572660 556299240 /nfs/dbraw/zinc/29/92/40/556299240.db2.gz JVYMFSNCEFYBMV-FQRUVTKNSA-N 1 1 477.565 2.312 50 0 JEAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000027572660 556299244 /nfs/dbraw/zinc/29/92/44/556299244.db2.gz JVYMFSNCEFYBMV-FQRUVTKNSA-N 1 1 477.565 2.312 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120866 556334439 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FONOTEYUHDSDDB-UHFFFAOYSA-N 1 1 476.672 2.476 50 0 JEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3cccc(F)c3)nn2C)C1 ZINC000064565605 569619078 /nfs/dbraw/zinc/61/90/78/569619078.db2.gz WJUHSPSAWQGSSF-SFHVURJKSA-N 1 1 498.603 2.467 50 0 JEAAMO CCn1c2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835940 569636604 /nfs/dbraw/zinc/63/66/04/569636604.db2.gz LAFBPCREDOWQJB-UHFFFAOYSA-N 1 1 497.603 2.432 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000064846443 569638544 /nfs/dbraw/zinc/63/85/44/569638544.db2.gz CXLUSGGRQUNJIY-FQEVSTJZSA-N 1 1 476.643 2.131 50 0 JEAAMO O=C(NCc1ccc(F)cc1)c1coc(CN2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000034677361 569641985 /nfs/dbraw/zinc/64/19/85/569641985.db2.gz LFIFPWDNLZQZOK-JOCHJYFZSA-N 1 1 452.530 2.465 50 0 JEAAMO CCn1c(=O)n(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057021 569654339 /nfs/dbraw/zinc/65/43/39/569654339.db2.gz VXNRTSNXPOXINX-INIZCTEOSA-N 1 1 484.988 2.284 50 0 JEAAMO C[NH+]1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)Cc2ccc(F)cc2)CC3)CC1 ZINC000034756150 569656534 /nfs/dbraw/zinc/65/65/34/569656534.db2.gz SIMAZTVEJIUFNS-UHFFFAOYSA-N 1 1 452.578 2.485 50 0 JEAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111664 569664672 /nfs/dbraw/zinc/66/46/72/569664672.db2.gz ZYMPSNDBUIBDAC-UHFFFAOYSA-N 1 1 480.500 2.107 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000034927828 569673205 /nfs/dbraw/zinc/67/32/05/569673205.db2.gz BZCMWTJRIRMAIZ-ZEQRLZLVSA-N 1 1 451.567 2.452 50 0 JEAAMO Cc1nc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065362298 569675215 /nfs/dbraw/zinc/67/52/15/569675215.db2.gz NGLVLGYXJGOTAT-UHFFFAOYSA-N 1 1 471.505 2.151 50 0 JEAAMO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000035377070 569685154 /nfs/dbraw/zinc/68/51/54/569685154.db2.gz SSUCTSDFOJPCHP-UHFFFAOYSA-N 1 1 464.566 2.238 50 0 JEAAMO CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@@H]4CCC[N@H+]4CC)C3)c(C)cc2NC1=O ZINC000035396660 569687482 /nfs/dbraw/zinc/68/74/82/569687482.db2.gz ZMTVJUQFXIETFL-BJLQDIEVSA-N 1 1 492.642 2.106 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401629 569690984 /nfs/dbraw/zinc/69/09/84/569690984.db2.gz JWJNCDYJWIKEDT-HDICACEKSA-N 1 1 472.602 2.040 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401629 569690985 /nfs/dbraw/zinc/69/09/85/569690985.db2.gz JWJNCDYJWIKEDT-HDICACEKSA-N 1 1 472.602 2.040 50 0 JEAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035401619 569690997 /nfs/dbraw/zinc/69/09/97/569690997.db2.gz GBCZZWVHMDOYMB-OYRHEFFESA-N 1 1 450.649 2.071 50 0 JEAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000035401619 569690998 /nfs/dbraw/zinc/69/09/98/569690998.db2.gz GBCZZWVHMDOYMB-OYRHEFFESA-N 1 1 450.649 2.071 50 0 JEAAMO O=C(CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1)N1CCNCC1 ZINC000035422012 569692653 /nfs/dbraw/zinc/69/26/53/569692653.db2.gz YGQSJULXRADDNW-UHFFFAOYSA-N 1 1 451.409 2.199 50 0 JEAAMO COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](CC(=O)NC(C)C)C[C@@H]12 ZINC000035870765 569718219 /nfs/dbraw/zinc/71/82/19/569718219.db2.gz VGSNDZNCNVBUSG-UPVQGACJSA-N 1 1 464.610 2.242 50 0 JEAAMO COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](CC(=O)NC(C)C)C[C@@H]12 ZINC000035870765 569718220 /nfs/dbraw/zinc/71/82/20/569718220.db2.gz VGSNDZNCNVBUSG-UPVQGACJSA-N 1 1 464.610 2.242 50 0 JEAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908127 569723868 /nfs/dbraw/zinc/72/38/68/569723868.db2.gz NTEWPKZEVIJGTC-RBBKRZOGSA-N 1 1 496.574 2.389 50 0 JEAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000035908127 569723869 /nfs/dbraw/zinc/72/38/69/569723869.db2.gz NTEWPKZEVIJGTC-RBBKRZOGSA-N 1 1 496.574 2.389 50 0 JEAAMO Cc1ccc(C)c(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C(C)C)CC4)n3)CC2)c1 ZINC000035926710 569729910 /nfs/dbraw/zinc/72/99/10/569729910.db2.gz VETBVWWEMQYWOK-UHFFFAOYSA-N 1 1 452.603 2.014 50 0 JEAAMO COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000096221649 569739044 /nfs/dbraw/zinc/73/90/44/569739044.db2.gz YZUWTDHXIVMNAW-PCCBWWKXSA-N 1 1 456.587 2.319 50 0 biogenic JEAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)C[C@@H]3CCCO3)no2)c1 ZINC000036002521 569746240 /nfs/dbraw/zinc/74/62/40/569746240.db2.gz CWTDNEAPBVDJRL-FQEVSTJZSA-N 1 1 456.543 2.136 50 0 JEAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)C[C@H]3CCCO3)no2)c1 ZINC000036002522 569746326 /nfs/dbraw/zinc/74/63/26/569746326.db2.gz CWTDNEAPBVDJRL-HXUWFJFHSA-N 1 1 456.543 2.136 50 0 JEAAMO Cc1nc(C)c(Cc2ccccc2Cl)c(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000036340224 569763762 /nfs/dbraw/zinc/76/37/62/569763762.db2.gz NFQMYKQHIJMYEP-NRFANRHFSA-N 1 1 460.022 2.153 50 0 JEAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036342410 569765778 /nfs/dbraw/zinc/76/57/78/569765778.db2.gz WTLAMZQDDYHRIE-FQEVSTJZSA-N 1 1 452.486 2.429 50 0 JEAAMO COc1cccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)N2CC[NH+](C)CC2)C(=O)CO3)c1 ZINC000037512153 569792014 /nfs/dbraw/zinc/79/20/14/569792014.db2.gz VUKHULSRXMHNOV-UHFFFAOYSA-N 1 1 481.549 2.237 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)COc4ccccc4)CCO3)CC2)c1 ZINC000037613859 569799485 /nfs/dbraw/zinc/79/94/85/569799485.db2.gz RWBHSOMIVGGADY-DEOSSOPVSA-N 1 1 467.566 2.150 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)COc4ccccc4)CCO3)CC2)c1 ZINC000037613859 569799486 /nfs/dbraw/zinc/79/94/86/569799486.db2.gz RWBHSOMIVGGADY-DEOSSOPVSA-N 1 1 467.566 2.150 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000039537335 569810156 /nfs/dbraw/zinc/81/01/56/569810156.db2.gz IUEVABAAUVNAFP-BKMJKUGQSA-N 1 1 467.541 2.374 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000039537335 569810157 /nfs/dbraw/zinc/81/01/57/569810157.db2.gz IUEVABAAUVNAFP-BKMJKUGQSA-N 1 1 467.541 2.374 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 ZINC000040043381 569814756 /nfs/dbraw/zinc/81/47/56/569814756.db2.gz WDIPWTFMZXWCTK-IEBWSBKVSA-N 1 1 490.464 2.225 50 0 JEAAMO COc1ccc(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000040118735 569816682 /nfs/dbraw/zinc/81/66/82/569816682.db2.gz FRZZBJKWXAFSSX-QGZVFWFLSA-N 1 1 451.589 2.309 50 0 JEAAMO O=C(C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000040149577 569819170 /nfs/dbraw/zinc/81/91/70/569819170.db2.gz BVNURSZTMSGJLP-UHFFFAOYSA-N 1 1 476.577 2.466 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 ZINC000040161686 569822973 /nfs/dbraw/zinc/82/29/73/569822973.db2.gz OUVHVDHGOSCFMG-QGZVFWFLSA-N 1 1 479.533 2.201 50 0 JEAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000104268208 569844375 /nfs/dbraw/zinc/84/43/75/569844375.db2.gz KJDYUNZWUHTWMX-ISKFKSNPSA-N 1 1 485.606 2.229 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000105851971 569853543 /nfs/dbraw/zinc/85/35/43/569853543.db2.gz LSAFUOCFYAIIIW-NHCUHLMSSA-N 1 1 478.703 2.402 50 0 JEAAMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000106748089 569855519 /nfs/dbraw/zinc/85/55/19/569855519.db2.gz ULAWBBHOYCBZIX-KMDXXIMOSA-N 1 1 451.567 2.401 50 0 JEAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)[NH2+][C@@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000229670863 570041002 /nfs/dbraw/zinc/04/10/02/570041002.db2.gz LDDONVOZWGKZGG-HMRZGDFFSA-N 1 1 472.929 2.305 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000230067666 570044272 /nfs/dbraw/zinc/04/42/72/570044272.db2.gz XCNALFJAZQSXKE-FGZHOGPDSA-N 1 1 464.676 2.379 50 0 JEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245237298 570057249 /nfs/dbraw/zinc/05/72/49/570057249.db2.gz IPIKQZAKCBJNOY-JXFKEZNVSA-N 1 1 459.568 2.462 50 0 JEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245237298 570057250 /nfs/dbraw/zinc/05/72/50/570057250.db2.gz IPIKQZAKCBJNOY-JXFKEZNVSA-N 1 1 459.568 2.462 50 0 JEAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000245237954 570057358 /nfs/dbraw/zinc/05/73/58/570057358.db2.gz NXURTCLVHIZURC-NHCUHLMSSA-N 1 1 480.675 2.161 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245311916 570063517 /nfs/dbraw/zinc/06/35/17/570063517.db2.gz QQFRMODHHSIURK-NSISKUIASA-N 1 1 464.657 2.290 50 0 JEAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000245318923 570064128 /nfs/dbraw/zinc/06/41/28/570064128.db2.gz XMLXGBKNGMFWHC-IDIXZGLXSA-N 1 1 475.545 2.288 50 0 JEAAMO O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000252550394 570083365 /nfs/dbraw/zinc/08/33/65/570083365.db2.gz SNGXMTZOHPJLGW-HXUWFJFHSA-N 1 1 455.946 2.137 50 0 JEAAMO NC(=O)C[C@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253412708 570097983 /nfs/dbraw/zinc/09/79/83/570097983.db2.gz RTSMHHAKSBKRLB-IMFGXOCKSA-N 1 1 461.518 2.134 50 0 biogenic JEAAMO NC(=O)C[C@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253412708 570097984 /nfs/dbraw/zinc/09/79/84/570097984.db2.gz RTSMHHAKSBKRLB-IMFGXOCKSA-N 1 1 461.518 2.134 50 0 biogenic JEAAMO COc1ccc(CN2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000253412632 570098001 /nfs/dbraw/zinc/09/80/01/570098001.db2.gz ROUFWBLICFGZSB-SLFFLAALSA-N 1 1 472.586 2.237 50 0 biogenic JEAAMO Cc1cc(C)n(CC[N@H+](C)C2CCN(c3ccc(C(=O)N[C@H]4CCCCNC4=O)cc3)CC2)n1 ZINC000299756854 570174234 /nfs/dbraw/zinc/17/42/34/570174234.db2.gz GMTOUGJHCOLJEN-DEOSSOPVSA-N 1 1 466.630 2.499 50 0 JEAAMO CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)Cc2cc(OC)ccc2O1 ZINC000299782149 570176461 /nfs/dbraw/zinc/17/64/61/570176461.db2.gz VKOVUZBSAGRYIE-LEWJYISDSA-N 1 1 452.555 2.228 50 0 JEAAMO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)Cc2cc(OC)ccc2O1 ZINC000299782149 570176463 /nfs/dbraw/zinc/17/64/63/570176463.db2.gz VKOVUZBSAGRYIE-LEWJYISDSA-N 1 1 452.555 2.228 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000334159469 570184396 /nfs/dbraw/zinc/18/43/96/570184396.db2.gz BTHXAPUXVRAWKI-CEMLEFRQSA-N 1 1 456.587 2.319 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000334159470 570184421 /nfs/dbraw/zinc/18/44/21/570184421.db2.gz BTHXAPUXVRAWKI-FCEUIQTBSA-N 1 1 456.587 2.319 50 0 JEAAMO COc1ccccc1CCN1C(=O)N[C@H](CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000334159562 570184570 /nfs/dbraw/zinc/18/45/70/570184570.db2.gz YZUWTDHXIVMNAW-NJYVYQBISA-N 1 1 456.587 2.319 50 0 JEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000002928057 194172287 /nfs/dbraw/zinc/17/22/87/194172287.db2.gz DWNLMAXLCWPTIM-UHFFFAOYSA-N 1 1 483.594 2.188 50 0 JEAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1 ZINC000003007019 194202063 /nfs/dbraw/zinc/20/20/63/194202063.db2.gz SJTDBRFITBFNHJ-UHFFFAOYSA-N 1 1 493.607 2.186 50 0 JEAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1 ZINC000003007019 194202066 /nfs/dbraw/zinc/20/20/66/194202066.db2.gz SJTDBRFITBFNHJ-UHFFFAOYSA-N 1 1 493.607 2.186 50 0 JEAAMO CCN(C(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003585374 194339261 /nfs/dbraw/zinc/33/92/61/194339261.db2.gz DXDARDXNTBLQAG-UHFFFAOYSA-N 1 1 455.946 2.305 50 0 JEAAMO CCN(C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003585374 194339262 /nfs/dbraw/zinc/33/92/62/194339262.db2.gz DXDARDXNTBLQAG-UHFFFAOYSA-N 1 1 455.946 2.305 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009860537 195001117 /nfs/dbraw/zinc/00/11/17/195001117.db2.gz QQFRMODHHSIURK-AHRSYUTCSA-N 1 1 464.657 2.290 50 0 JEAAMO Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012789208 195130493 /nfs/dbraw/zinc/13/04/93/195130493.db2.gz NAWHLQWUHHPACG-UHFFFAOYSA-N 1 1 457.596 2.016 50 0 JEAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012795107 195135362 /nfs/dbraw/zinc/13/53/62/195135362.db2.gz VNDUOFHUJOIFCZ-HSZRJFAPSA-N 1 1 456.612 2.184 50 0 JEAAMO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000012878793 195167712 /nfs/dbraw/zinc/16/77/12/195167712.db2.gz WIJXDQUVZRXFDN-UHFFFAOYSA-N 1 1 477.392 2.226 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611642 195185716 /nfs/dbraw/zinc/18/57/16/195185716.db2.gz NLCRWQGQENCJHE-MASGSYHESA-N 1 1 480.952 2.483 50 0 biogenic JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000020906736 195245413 /nfs/dbraw/zinc/24/54/13/195245413.db2.gz PMEFKOWCRXYIOG-FQEVSTJZSA-N 1 1 467.566 2.167 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nc(-c4ccc(OC)cc4)no3)C2)CC1 ZINC000020924105 195248945 /nfs/dbraw/zinc/24/89/45/195248945.db2.gz PFFLQJPXWPAEOQ-FQEVSTJZSA-N 1 1 456.591 2.105 50 0 JEAAMO O=C([C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021026399 195269078 /nfs/dbraw/zinc/26/90/78/195269078.db2.gz RPDSJKJVLCGGNY-LJQANCHMSA-N 1 1 454.600 2.226 50 0 JEAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@@H+](C)C4CCCCC4)nc(C)n3n2)cc1 ZINC000021807968 195323921 /nfs/dbraw/zinc/32/39/21/195323921.db2.gz FGXNVKNANXSPOJ-UHFFFAOYSA-N 1 1 452.559 2.256 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)N2C(C)=O ZINC000021926050 195334437 /nfs/dbraw/zinc/33/44/37/195334437.db2.gz NSHXEKXGKOWPGC-VWLOTQADSA-N 1 1 498.649 2.339 50 0 JEAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CN2C(=O)CSc3ncccc32)CC1 ZINC000058070873 195363889 /nfs/dbraw/zinc/36/38/89/195363889.db2.gz VYVVBKSNIVDOGI-UHFFFAOYSA-N 1 1 460.003 2.421 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c3ccc(C)cc3c(=O)n(-c3ccc(OC)cc3)c2=O)CC1 ZINC000096318343 130063461 /nfs/dbraw/zinc/06/34/61/130063461.db2.gz KFOLWYAARQRDRH-SFHVURJKSA-N 1 1 450.539 2.195 50 0 JEAAMO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000029278415 519818244 /nfs/dbraw/zinc/81/82/44/519818244.db2.gz NMOBOUQFYFILQS-QKNOUNDKSA-N 1 1 482.673 2.462 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945281 519838289 /nfs/dbraw/zinc/83/82/89/519838289.db2.gz WCGRACOOMANENT-NRFANRHFSA-N 1 1 464.676 2.497 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945281 519838290 /nfs/dbraw/zinc/83/82/90/519838290.db2.gz WCGRACOOMANENT-NRFANRHFSA-N 1 1 464.676 2.497 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)cc1 ZINC000045945320 519838327 /nfs/dbraw/zinc/83/83/27/519838327.db2.gz ZGJCFXLMEIHNAU-UHFFFAOYSA-N 1 1 450.649 2.109 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000033131294 521680923 /nfs/dbraw/zinc/68/09/23/521680923.db2.gz IMZLKEWHDYODKE-UHFFFAOYSA-N 1 1 457.040 2.272 50 0 JEAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000064986585 521697741 /nfs/dbraw/zinc/69/77/41/521697741.db2.gz AMZHWWMFEBWQEU-UHFFFAOYSA-N 1 1 472.567 2.207 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(Cl)ccc4OC)c(=O)c3s2)CC1 ZINC000021886464 521701060 /nfs/dbraw/zinc/70/10/60/521701060.db2.gz YDVSBNUNDVUMAL-UHFFFAOYSA-N 1 1 462.963 2.296 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4Cl)c(=O)c3s2)CC1 ZINC000021886448 521701410 /nfs/dbraw/zinc/70/14/10/521701410.db2.gz YTLLKEIQCBWANE-UHFFFAOYSA-N 1 1 450.927 2.426 50 0 JEAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@H+](Cc1cn(C)nc1C)CC2 ZINC000014997048 521773849 /nfs/dbraw/zinc/77/38/49/521773849.db2.gz JFQLUFMSSQYNAT-UHFFFAOYSA-N 1 1 465.554 2.142 50 0 JEAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cn(C)nc1C)CC2 ZINC000014997048 521773856 /nfs/dbraw/zinc/77/38/56/521773856.db2.gz JFQLUFMSSQYNAT-UHFFFAOYSA-N 1 1 465.554 2.142 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccc(OC)cc1)CC2 ZINC000012280117 521776433 /nfs/dbraw/zinc/77/64/33/521776433.db2.gz SMMFKYSTYASRLN-DPZZJQGRSA-N 1 1 495.576 2.072 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccc(OC)cc1)CC2 ZINC000012280117 521776443 /nfs/dbraw/zinc/77/64/43/521776443.db2.gz SMMFKYSTYASRLN-DPZZJQGRSA-N 1 1 495.576 2.072 50 0 JEAAMO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@@H+](Cc1cccs1)CC2 ZINC000014881818 521778302 /nfs/dbraw/zinc/77/83/02/521778302.db2.gz BXWISTZUBRJRKV-UHFFFAOYSA-N 1 1 456.568 2.500 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccccc3F)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014952011 523316419 /nfs/dbraw/zinc/31/64/19/523316419.db2.gz CUXTUGRBIQZKQM-NRFANRHFSA-N 1 1 468.573 2.373 50 0 JEAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000046140774 523614205 /nfs/dbraw/zinc/61/42/05/523614205.db2.gz WGWRNWNFLFNZHZ-UHFFFAOYSA-N 1 1 451.976 2.226 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000036308938 523646800 /nfs/dbraw/zinc/64/68/00/523646800.db2.gz SURQRPDWGSTJIV-GCJKJVERSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COC ZINC000036308938 523646809 /nfs/dbraw/zinc/64/68/09/523646809.db2.gz SURQRPDWGSTJIV-GCJKJVERSA-N 1 1 478.611 2.217 50 0 JEAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 ZINC000036028414 523795875 /nfs/dbraw/zinc/79/58/75/523795875.db2.gz JATHMNIRHJDYKG-UHFFFAOYSA-N 1 1 484.670 2.145 50 0 JEAAMO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000045945542 524010717 /nfs/dbraw/zinc/01/07/17/524010717.db2.gz AMHGUTLOPBABSX-SFTDATJTSA-N 1 1 464.676 2.325 50 0 JEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nc(Cn3nc(-c4ccc(F)cc4)ccc3=O)no2)C1 ZINC000033292500 524222684 /nfs/dbraw/zinc/22/26/84/524222684.db2.gz RXQQBGMTKIWWSN-MRXNPFEDSA-N 1 1 454.506 2.333 50 0 JEAAMO COc1ccccc1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000012327088 524342781 /nfs/dbraw/zinc/34/27/81/524342781.db2.gz JVISKVRPAHCXRT-JOCHJYFZSA-N 1 1 480.609 2.242 50 0 JEAAMO COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059589 524917226 /nfs/dbraw/zinc/91/72/26/524917226.db2.gz BGEZOXZMVXOGKF-NHCUHLMSSA-N 1 1 455.530 2.473 50 0 JEAAMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000016425304 525014206 /nfs/dbraw/zinc/01/42/06/525014206.db2.gz IMCPWQDRHOWSLW-UHFFFAOYSA-N 1 1 466.003 2.356 50 0 JEAAMO C[C@@H](NCC(=O)NCCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000016694822 525409100 /nfs/dbraw/zinc/40/91/00/525409100.db2.gz XOAXBMPGRSMDLO-ZIAGYGMSSA-N 1 1 454.468 2.477 50 0 JEAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Cl)cc2)c1 ZINC000046140917 525920006 /nfs/dbraw/zinc/92/00/06/525920006.db2.gz RWEZYLRWULGHFY-UHFFFAOYSA-N 1 1 451.976 2.226 50 0 JEAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Cl)c2)c1 ZINC000046140916 525920460 /nfs/dbraw/zinc/92/04/60/525920460.db2.gz SFOUMIKVLHMVJI-UHFFFAOYSA-N 1 1 451.976 2.226 50 0 JEAAMO Cc1csc(-c2cc(S(=O)(=O)N3CCC[N@@H+](C)CC3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307612 526299405 /nfs/dbraw/zinc/29/94/05/526299405.db2.gz IXKIMHLMAMUNCG-UHFFFAOYSA-N 1 1 465.645 2.259 50 0 JEAAMO Cc1csc(-c2cc(S(=O)(=O)N3CCC[N@H+](C)CC3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307612 526299410 /nfs/dbraw/zinc/29/94/10/526299410.db2.gz IXKIMHLMAMUNCG-UHFFFAOYSA-N 1 1 465.645 2.259 50 0 JEAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033250758 526460163 /nfs/dbraw/zinc/46/01/63/526460163.db2.gz AFWJQLVGTXOUQB-YXBWYFRISA-N 1 1 476.574 2.467 50 0 JEAAMO O=C(CCn1c(=O)c2cccn2c2cccnc21)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020512758 526667863 /nfs/dbraw/zinc/66/78/63/526667863.db2.gz SPECEWWJTPTYMM-UHFFFAOYSA-N 1 1 472.593 2.363 50 0 JEAAMO NC(=O)c1ccc(NC(=O)COc2coc(CN3CC[NH+](Cc4ccccc4)CC3)cc2=O)cc1 ZINC000022807591 527060275 /nfs/dbraw/zinc/06/02/75/527060275.db2.gz QTCOUVMSTMNJLT-UHFFFAOYSA-N 1 1 476.533 2.074 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 ZINC000033260119 527669505 /nfs/dbraw/zinc/66/95/05/527669505.db2.gz FNTNFRIWFHGEOJ-UHFFFAOYSA-N 1 1 484.004 2.500 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036255983 527672622 /nfs/dbraw/zinc/67/26/22/527672622.db2.gz VMSXACNSHQMEMW-QHCPKHFHSA-N 1 1 477.049 2.495 50 0 JEAAMO CCN(C(=O)C[N@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002662063 554275292 /nfs/dbraw/zinc/27/52/92/554275292.db2.gz JMNYBYSRRSVSGG-UHFFFAOYSA-N 1 1 459.550 2.309 50 0 JEAAMO CCN(C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002662063 554275293 /nfs/dbraw/zinc/27/52/93/554275293.db2.gz JMNYBYSRRSVSGG-UHFFFAOYSA-N 1 1 459.550 2.309 50 0 JEAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000008945347 554833301 /nfs/dbraw/zinc/83/33/01/554833301.db2.gz RELIREWEHFZCHH-GOSISDBHSA-N 1 1 453.495 2.022 50 0 JEAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000009332383 555101737 /nfs/dbraw/zinc/10/17/37/555101737.db2.gz JBYKRIKLSNXLGD-MDTICMOCSA-N 1 1 451.454 2.274 50 0 JEAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000009332383 555101740 /nfs/dbraw/zinc/10/17/40/555101740.db2.gz JBYKRIKLSNXLGD-MDTICMOCSA-N 1 1 451.454 2.274 50 0 JEAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000009462486 555231549 /nfs/dbraw/zinc/23/15/49/555231549.db2.gz SFUXRYWDCKFDTM-CABCVRRESA-N 1 1 450.495 2.183 50 0 biogenic JEAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000009462486 555231552 /nfs/dbraw/zinc/23/15/52/555231552.db2.gz SFUXRYWDCKFDTM-CABCVRRESA-N 1 1 450.495 2.183 50 0 biogenic JEAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000009492679 555273060 /nfs/dbraw/zinc/27/30/60/555273060.db2.gz XXAIQRQGHXZAPA-UHFFFAOYSA-N 1 1 484.578 2.458 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009512719 555302739 /nfs/dbraw/zinc/30/27/39/555302739.db2.gz KIMORUURSAPGII-FQEVSTJZSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009512719 555302741 /nfs/dbraw/zinc/30/27/41/555302741.db2.gz KIMORUURSAPGII-FQEVSTJZSA-N 1 1 489.569 2.267 50 0 JEAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677532 555401804 /nfs/dbraw/zinc/40/18/04/555401804.db2.gz YFEXPDDFUQOZKU-QGZVFWFLSA-N 1 1 465.645 2.473 50 0 JEAAMO COCCC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccco1 ZINC000009747618 555479518 /nfs/dbraw/zinc/47/95/18/555479518.db2.gz HTSDHWGXCGEWIB-GOSISDBHSA-N 1 1 490.630 2.129 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@H+](Cc1cc(C)c(C)cc1C)CC2 ZINC000019838313 555507613 /nfs/dbraw/zinc/50/76/13/555507613.db2.gz FRYDLZHVMTUBBM-OAQYLSRUSA-N 1 1 453.583 2.437 50 0 JEAAMO C[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000019849765 555510895 /nfs/dbraw/zinc/51/08/95/555510895.db2.gz FSAFUFVOLATZES-UHFFFAOYSA-N 1 1 466.401 2.414 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009833985 555537016 /nfs/dbraw/zinc/53/70/16/555537016.db2.gz RWQKZEQTPHLQKD-OAQYLSRUSA-N 1 1 471.579 2.128 50 0 JEAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009833985 555537017 /nfs/dbraw/zinc/53/70/17/555537017.db2.gz RWQKZEQTPHLQKD-OAQYLSRUSA-N 1 1 471.579 2.128 50 0 JEAAMO C[NH+]1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000020030508 555605542 /nfs/dbraw/zinc/60/55/42/555605542.db2.gz KLEDTLVOOOTPRV-UHFFFAOYSA-N 1 1 452.374 2.418 50 0 JEAAMO COc1ccc(CCNC(=O)c2c(N)n(CC[NH+]3CCOCC3)c3nc4ccccc4nc32)cc1 ZINC000020149634 555664922 /nfs/dbraw/zinc/66/49/22/555664922.db2.gz FCIANVHXKIXTII-UHFFFAOYSA-N 1 1 474.565 2.480 50 0 JEAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 ZINC000014168432 555720805 /nfs/dbraw/zinc/72/08/05/555720805.db2.gz FXCHFDMUZFMWSY-UHFFFAOYSA-N 1 1 498.649 2.196 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1 ZINC000020240586 555735808 /nfs/dbraw/zinc/73/58/08/555735808.db2.gz YRKBOLFHTZUWIB-UHFFFAOYSA-N 1 1 484.416 2.383 50 0 JEAAMO COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCC[NH+]5CCN(C)CC5)C4)sc3n2)cc1 ZINC000020531951 555799624 /nfs/dbraw/zinc/79/96/24/555799624.db2.gz AVNLQXPBVARQLL-HXUWFJFHSA-N 1 1 497.669 2.437 50 0 JEAAMO Cc1c2c(nn1-c1ccccc1)c(N1CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C1)nnc2C ZINC000020564859 555819188 /nfs/dbraw/zinc/81/91/88/555819188.db2.gz AQNZYVUBDLYQIX-OAQYLSRUSA-N 1 1 477.613 2.487 50 0 JEAAMO COCc1ccc(C[N@H+]2CCc3c(C(=O)OC)c(OC[C@H]4CCCCO4)cc(=O)n3CC2)o1 ZINC000020598448 555840474 /nfs/dbraw/zinc/84/04/74/555840474.db2.gz HKQYTYABQNUWIO-GOSISDBHSA-N 1 1 460.527 2.381 50 0 JEAAMO COCc1ccc(C[N@@H+]2CCc3c(C(=O)OC)c(OC[C@H]4CCCCO4)cc(=O)n3CC2)o1 ZINC000020598448 555840477 /nfs/dbraw/zinc/84/04/77/555840477.db2.gz HKQYTYABQNUWIO-GOSISDBHSA-N 1 1 460.527 2.381 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000015002786 555847913 /nfs/dbraw/zinc/84/79/13/555847913.db2.gz BYDZKSLFTMVQFB-GOSISDBHSA-N 1 1 459.568 2.144 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccsc1)CC2 ZINC000015002786 555847915 /nfs/dbraw/zinc/84/79/15/555847915.db2.gz BYDZKSLFTMVQFB-GOSISDBHSA-N 1 1 459.568 2.144 50 0 JEAAMO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)Cc4cc[nH]n4)CC3)cc2)CC1 ZINC000015070345 555870139 /nfs/dbraw/zinc/87/01/39/555870139.db2.gz KKPVRLJOMQZDBS-UHFFFAOYSA-N 1 1 454.575 2.425 50 0 JEAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000011997795 555879965 /nfs/dbraw/zinc/87/99/65/555879965.db2.gz QMSMAENIOTYTAK-GOSISDBHSA-N 1 1 486.015 2.296 50 0 JEAAMO O=c1c2c(nc3sc(SCCN4CCOCC4)nn31)CC[N@H+](CCc1ccccc1)C2 ZINC000015414129 555905657 /nfs/dbraw/zinc/90/56/57/555905657.db2.gz FSDCZCLVPCFTRE-UHFFFAOYSA-N 1 1 457.625 2.176 50 0 JEAAMO C[C@@H]1C[C@@H](CC(=O)N2CCOc3ccc(C[N@@H+](C)CCc4ccccn4)cc3C2)NC(=S)N1 ZINC000012151932 555925246 /nfs/dbraw/zinc/92/52/46/555925246.db2.gz RCIWBEWAZKLNQC-GCJKJVERSA-N 1 1 467.639 2.492 50 0 JEAAMO COc1ccccc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2 ZINC000022908922 555966009 /nfs/dbraw/zinc/96/60/09/555966009.db2.gz GMIZQPDWMZXXEV-UHFFFAOYSA-N 1 1 458.584 2.194 50 0 JEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000022934029 555986613 /nfs/dbraw/zinc/98/66/13/555986613.db2.gz QOMSVWCBFZMICS-UHFFFAOYSA-N 1 1 452.983 2.362 50 0 JEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000022934029 555986616 /nfs/dbraw/zinc/98/66/16/555986616.db2.gz QOMSVWCBFZMICS-UHFFFAOYSA-N 1 1 452.983 2.362 50 0 JEAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868840 556047164 /nfs/dbraw/zinc/04/71/64/556047164.db2.gz FSYKHYSFCGAHAD-UHFFFAOYSA-N 1 1 457.662 2.368 50 0 JEAAMO O=S(=O)(CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000015868948 556047623 /nfs/dbraw/zinc/04/76/23/556047623.db2.gz SJGINXLBUUPGOU-UHFFFAOYSA-N 1 1 494.477 2.008 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c(C)c1 ZINC000015868937 556047707 /nfs/dbraw/zinc/04/77/07/556047707.db2.gz RNFXRNGBBOODNU-OAQYLSRUSA-N 1 1 479.668 2.333 50 0 JEAAMO CC(C)OCCC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000015942670 556077546 /nfs/dbraw/zinc/07/75/46/556077546.db2.gz OUMKRDVXTRNDPL-UHFFFAOYSA-N 1 1 454.618 2.398 50 0 JEAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(=O)[nH]c1=O ZINC000023731376 556086053 /nfs/dbraw/zinc/08/60/53/556086053.db2.gz CBZMSLMJYPQMEE-GOSISDBHSA-N 1 1 485.585 2.270 50 0 JEAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(=O)[nH]c1=O ZINC000023731376 556086056 /nfs/dbraw/zinc/08/60/56/556086056.db2.gz CBZMSLMJYPQMEE-GOSISDBHSA-N 1 1 485.585 2.270 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccco2)cc1 ZINC000023846445 556092129 /nfs/dbraw/zinc/09/21/29/556092129.db2.gz HUSGHDZOTCJQLY-HXUWFJFHSA-N 1 1 461.584 2.102 50 0 JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016009796 556108619 /nfs/dbraw/zinc/10/86/19/556108619.db2.gz CQMXSNBQIVWRQK-VGHKVXAASA-N 1 1 487.343 2.098 50 0 JEAAMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000025139873 556180668 /nfs/dbraw/zinc/18/06/68/556180668.db2.gz HVUGINOENMJOCJ-OAQYLSRUSA-N 1 1 466.648 2.012 50 0 JEAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCCC1 ZINC000027571993 556298478 /nfs/dbraw/zinc/29/84/78/556298478.db2.gz XCQJMRDNGWUWSE-SFHVURJKSA-N 1 1 451.614 2.415 50 0 JEAAMO NS(=O)(=O)c1cccc(NC(=O)CCN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000028884294 556343307 /nfs/dbraw/zinc/34/33/07/556343307.db2.gz KSEWBQKXUFGIRF-UHFFFAOYSA-N 1 1 466.991 2.013 50 0 JEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1)OCCCO4 ZINC000019354136 556344047 /nfs/dbraw/zinc/34/40/47/556344047.db2.gz UPWXOFHVERBSTD-JOCHJYFZSA-N 1 1 462.510 2.295 50 0 JEAAMO Cn1c(C2CCC2)nc2cc(C(=O)NCCC[NH+]3CCOCC3)cc(NC(=O)[C@@H]3CCCO3)c21 ZINC000019745393 556365871 /nfs/dbraw/zinc/36/58/71/556365871.db2.gz ZGVBUNZYDHXFQF-NRFANRHFSA-N 1 1 469.586 2.410 50 0 JEAAMO COc1cc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc(OC)c1OC ZINC000032032198 556412897 /nfs/dbraw/zinc/41/28/97/556412897.db2.gz YRHIQRKRIHOJJY-IBGZPJMESA-N 1 1 453.539 2.410 50 0 JEAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595765 562944085 /nfs/dbraw/zinc/94/40/85/562944085.db2.gz XGFLDTDIKZKRTC-MRXNPFEDSA-N 1 1 453.634 2.330 50 0 JEAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(C)cc(Cl)c2NC3=O)cc1 ZINC000057140830 569594623 /nfs/dbraw/zinc/59/46/23/569594623.db2.gz AXFNYFYFSONDMF-NZEOALSQSA-N 1 1 484.940 2.465 50 0 JEAAMO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414459 569599680 /nfs/dbraw/zinc/59/96/80/569599680.db2.gz RPDVXMGCQYQBJN-QHCPKHFHSA-N 1 1 472.586 2.435 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)CSCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000032987180 569609196 /nfs/dbraw/zinc/60/91/96/569609196.db2.gz VNGLNKKFAQWEOI-UHFFFAOYSA-N 1 1 480.635 2.307 50 0 JEAAMO O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCOCC1 ZINC000032987156 569609280 /nfs/dbraw/zinc/60/92/80/569609280.db2.gz MCDFOWFKZHLTMZ-UHFFFAOYSA-N 1 1 453.565 2.001 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000032987816 569609734 /nfs/dbraw/zinc/60/97/34/569609734.db2.gz UWGHSZDPOUUYSD-UHFFFAOYSA-N 1 1 474.631 2.266 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000033011541 569617036 /nfs/dbraw/zinc/61/70/36/569617036.db2.gz IKLGMANHSZXBRI-UHFFFAOYSA-N 1 1 469.036 2.290 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)CC1 ZINC000033024529 569620012 /nfs/dbraw/zinc/62/00/12/569620012.db2.gz FTGUZRCWSXNKKQ-UHFFFAOYSA-N 1 1 470.599 2.115 50 0 JEAAMO CC[C@H](C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000064623277 569623668 /nfs/dbraw/zinc/62/36/68/569623668.db2.gz YRZURMBYHJRLBD-OAQYLSRUSA-N 1 1 452.603 2.262 50 0 JEAAMO Cn1ncc2c3ccccc3n(CC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c2c1=O ZINC000064775911 569627761 /nfs/dbraw/zinc/62/77/61/569627761.db2.gz ZOIXWADVRHOVDY-UHFFFAOYSA-N 1 1 476.556 2.356 50 0 JEAAMO CCCOC(=O)Cn1c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2oc1=O ZINC000064818864 569635316 /nfs/dbraw/zinc/63/53/16/569635316.db2.gz JEYAPFHOVVNZBG-UHFFFAOYSA-N 1 1 465.572 2.187 50 0 JEAAMO COc1cc(NC(=O)N2CCC(CC(=O)NCCC[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000064846755 569638763 /nfs/dbraw/zinc/63/87/63/569638763.db2.gz NNIHLZXLIAYOFC-UHFFFAOYSA-N 1 1 478.590 2.185 50 0 JEAAMO CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)cc2sc1=O ZINC000065022345 569648984 /nfs/dbraw/zinc/64/89/84/569648984.db2.gz KBIZWJJHIWVIEP-UHFFFAOYSA-N 1 1 480.656 2.038 50 0 JEAAMO Cc1noc2nc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)nc(N3CCOCC3)c12 ZINC000065056500 569654138 /nfs/dbraw/zinc/65/41/38/569654138.db2.gz KWVQMTYAWDNRQM-UHFFFAOYSA-N 1 1 464.570 2.260 50 0 JEAAMO Cc1ccc(C[NH+]2CCN(C(=O)CN3CC4=C(C3=O)[C@@H](c3ccc(C)cc3)NC(=O)N4C)CC2)cc1 ZINC000034792036 569660481 /nfs/dbraw/zinc/66/04/81/569660481.db2.gz SNDLNURZJVEYPM-AREMUKBSSA-N 1 1 487.604 2.440 50 0 JEAAMO CN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@H](c2ccc(F)cc2)NC1=O ZINC000034792099 569660588 /nfs/dbraw/zinc/66/05/88/569660588.db2.gz VPIZEAJKGVEEIS-VWLOTQADSA-N 1 1 491.567 2.005 50 0 JEAAMO Cc1nn(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000065138448 569668898 /nfs/dbraw/zinc/66/88/98/569668898.db2.gz CUYWJYNUPYLDDY-UHFFFAOYSA-N 1 1 459.616 2.110 50 0 JEAAMO CC[C@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1c2cc(C)nn2CCC1=O ZINC000035374420 569684224 /nfs/dbraw/zinc/68/42/24/569684224.db2.gz XWWHORZRYJAQQF-HXUWFJFHSA-N 1 1 458.994 2.299 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067287749 569684807 /nfs/dbraw/zinc/68/48/07/569684807.db2.gz UAGNBNKWZZKYKM-HSZRJFAPSA-N 1 1 472.586 2.435 50 0 JEAAMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403214 569691284 /nfs/dbraw/zinc/69/12/84/569691284.db2.gz DPVBQRLOOVMKSS-QHCPKHFHSA-N 1 1 466.557 2.120 50 0 JEAAMO COc1cc(OC)c(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1Cl ZINC000072117897 569699692 /nfs/dbraw/zinc/69/96/92/569699692.db2.gz GQJPTWKPIVGJOA-UHFFFAOYSA-N 1 1 462.938 2.338 50 0 JEAAMO COc1cc(CN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc(OC)c1 ZINC000035808563 569712042 /nfs/dbraw/zinc/71/20/42/569712042.db2.gz CVWLZWYHWHZVNJ-SQJMNOBHSA-N 1 1 464.522 2.486 50 0 JEAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000095350722 569722570 /nfs/dbraw/zinc/72/25/70/569722570.db2.gz ZKIIFTCVVDXNGU-GOSISDBHSA-N 1 1 497.086 2.441 50 0 JEAAMO O=C(CCc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925325 569728756 /nfs/dbraw/zinc/72/87/56/569728756.db2.gz UWMNBQHYEYBNTO-UHFFFAOYSA-N 1 1 486.620 2.374 50 0 JEAAMO Cc1ccc(C)c(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C5CCC5)CC4)n3)CC2)c1 ZINC000035926720 569729862 /nfs/dbraw/zinc/72/98/62/569729862.db2.gz FCKUYFGMDKFMEB-UHFFFAOYSA-N 1 1 464.614 2.158 50 0 JEAAMO 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50 0 JEAAMO CCOC(=O)[C@@](NC(=O)CC)(Nc1sc2c(c1C(=O)OC)CC[N@@H+](C)C2)C(F)(F)F ZINC000002050179 194156439 /nfs/dbraw/zinc/15/64/39/194156439.db2.gz MXMVIVWJZGWYJN-QGZVFWFLSA-N 1 1 451.467 2.282 50 0 JEAAMO CCOC(=O)[C@@](NC(=O)CC)(Nc1sc2c(c1C(=O)OC)CC[N@H+](C)C2)C(F)(F)F ZINC000002050179 194156441 /nfs/dbraw/zinc/15/64/41/194156441.db2.gz MXMVIVWJZGWYJN-QGZVFWFLSA-N 1 1 451.467 2.282 50 0 JEAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC000009666442 194865886 /nfs/dbraw/zinc/86/58/86/194865886.db2.gz PATKRMWYNKFGIH-UHFFFAOYSA-N 1 1 473.618 2.328 50 0 JEAAMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC000009666442 194865890 /nfs/dbraw/zinc/86/58/90/194865890.db2.gz PATKRMWYNKFGIH-UHFFFAOYSA-N 1 1 473.618 2.328 50 0 JEAAMO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020766089 195221441 /nfs/dbraw/zinc/22/14/41/195221441.db2.gz DBDWNRLOZSSFSX-QHCPKHFHSA-N 1 1 475.611 2.252 50 0 JEAAMO 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O=C(C[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000058357811 195378605 /nfs/dbraw/zinc/37/86/05/195378605.db2.gz GIFFTKZTGUTDSK-UHFFFAOYSA-N 1 1 450.499 2.195 50 0 JEAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)[C@@H]1CCCCN21 ZINC000021941951 195339351 /nfs/dbraw/zinc/33/93/51/195339351.db2.gz SVTOTEWOQIBCGG-DEOSSOPVSA-N 1 1 489.620 2.438 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000021944469 195340305 /nfs/dbraw/zinc/34/03/05/195340305.db2.gz ZRQOGTTWVPPOMI-IBGZPJMESA-N 1 1 454.958 2.465 50 0 JEAAMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 ZINC000058048985 195363384 /nfs/dbraw/zinc/36/33/84/195363384.db2.gz ZKOLQRWYSSSLCD-CQSZACIVSA-N 1 1 464.415 2.476 50 0 JEAAMO C/C=C(\C)C[N@@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000014983720 518484630 /nfs/dbraw/zinc/48/46/30/518484630.db2.gz XIIPGJJSMVTKMO-OFLMMFJMSA-N 1 1 470.549 2.134 50 0 JEAAMO C/C=C(\C)C[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000014983720 518484639 /nfs/dbraw/zinc/48/46/39/518484639.db2.gz XIIPGJJSMVTKMO-OFLMMFJMSA-N 1 1 470.549 2.134 50 0 JEAAMO CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000021705850 518591160 /nfs/dbraw/zinc/59/11/60/518591160.db2.gz BYEQHKIBDXVDRJ-FQEVSTJZSA-N 1 1 458.603 2.362 50 0 JEAAMO CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022908964 519722902 /nfs/dbraw/zinc/72/29/02/519722902.db2.gz MXTUCXFOEKJIEA-UHFFFAOYSA-N 1 1 485.610 2.144 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCN2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974759 519838446 /nfs/dbraw/zinc/83/84/46/519838446.db2.gz WAMWSPBOLUALNZ-HXUWFJFHSA-N 1 1 450.649 2.107 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974712 519838483 /nfs/dbraw/zinc/83/84/83/519838483.db2.gz HKBPYYCIACGHGF-UHFFFAOYSA-N 1 1 450.649 2.109 50 0 JEAAMO CCOC(=O)C1C(CNC2CC(C)(C)[NH2+]C(C)(C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000012412579 520517918 /nfs/dbraw/zinc/51/79/18/520517918.db2.gz VPKTVQFGYIXRDK-FQEVSTJZSA-N 1 1 458.559 2.485 50 0 JEAAMO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CC[NH+](CCO)CC1 ZINC000020358212 520577579 /nfs/dbraw/zinc/57/75/79/520577579.db2.gz QYEQMZHZZPSZNL-UHFFFAOYSA-N 1 1 484.626 2.042 50 0 JEAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045944187 520643430 /nfs/dbraw/zinc/64/34/30/520643430.db2.gz MRDXKRWUWLHQLX-UHFFFAOYSA-N 1 1 452.665 2.040 50 0 JEAAMO CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000064971658 521080459 /nfs/dbraw/zinc/08/04/59/521080459.db2.gz QAIMZBPEVMOWSB-UHFFFAOYSA-N 1 1 495.580 2.309 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)COc1ccc(C)cc1)CC2 ZINC000014746354 521639961 /nfs/dbraw/zinc/63/99/61/521639961.db2.gz MAOROCOBOHPYOP-HXUWFJFHSA-N 1 1 483.613 2.016 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)CC1 ZINC000021717945 521667977 /nfs/dbraw/zinc/66/79/77/521667977.db2.gz NNTSSNSKJCDDJV-QGZVFWFLSA-N 1 1 482.006 2.263 50 0 JEAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014973704 521777814 /nfs/dbraw/zinc/77/78/14/521777814.db2.gz ISXPFGOGLXIELF-PMACEKPBSA-N 1 1 483.609 2.487 50 0 JEAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@H+](Cc1cn(C)nc1C)CC2 ZINC000014965345 521781866 /nfs/dbraw/zinc/78/18/66/521781866.db2.gz DQBOEFUOUZOKED-UHFFFAOYSA-N 1 1 454.502 2.453 50 0 JEAAMO COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@@H+](Cc1cn(C)nc1C)CC2 ZINC000014965345 521781885 /nfs/dbraw/zinc/78/18/85/521781885.db2.gz DQBOEFUOUZOKED-UHFFFAOYSA-N 1 1 454.502 2.453 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CC[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000023367350 522019311 /nfs/dbraw/zinc/01/93/11/522019311.db2.gz NPJXSQRWQFNPQM-UHFFFAOYSA-N 1 1 490.589 2.487 50 0 JEAAMO 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/nfs/dbraw/zinc/81/94/71/555819471.db2.gz MUPMJGRTBQHRKK-JOCHJYFZSA-N 1 1 490.656 2.402 50 0 JEAAMO O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)C1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000020601734 555842279 /nfs/dbraw/zinc/84/22/79/555842279.db2.gz VEEDZRCLQSKIQD-JOCHJYFZSA-N 1 1 454.615 2.404 50 0 JEAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014999479 555844057 /nfs/dbraw/zinc/84/40/57/555844057.db2.gz FHBKWZWYFUAPHQ-KRWDZBQOSA-N 1 1 451.527 2.309 50 0 JEAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(OCCO)cc2)CC3)c1 ZINC000011909742 555856675 /nfs/dbraw/zinc/85/66/75/555856675.db2.gz JPMICNXFVMITEA-SFHVURJKSA-N 1 1 465.554 2.207 50 0 JEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OC)cc2OC)CC3)o1 ZINC000011967449 555872593 /nfs/dbraw/zinc/87/25/93/555872593.db2.gz GGIJXGKLUXBLEP-UHFFFAOYSA-N 1 1 455.515 2.023 50 0 JEAAMO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1OC ZINC000022908932 555965870 /nfs/dbraw/zinc/96/58/70/555965870.db2.gz NENMXPHIPXQGMD-UHFFFAOYSA-N 1 1 488.610 2.202 50 0 JEAAMO Cc1nn(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000015777529 555997204 /nfs/dbraw/zinc/99/72/04/555997204.db2.gz WENWXUCFNXCASL-UHFFFAOYSA-N 1 1 459.616 2.019 50 0 JEAAMO Cn1c2nc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n(Cc3ccccc3F)c2c(=O)[nH]c1=O ZINC000012529897 555999705 /nfs/dbraw/zinc/99/97/05/555999705.db2.gz MJBMSBRRVNFTMY-JXMROGBWSA-N 1 1 474.540 2.446 50 0 JEAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC000023248979 556034709 /nfs/dbraw/zinc/03/47/09/556034709.db2.gz MCJITJYBQXKARL-AREMUKBSSA-N 1 1 463.582 2.087 50 0 JEAAMO Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000023257280 556036014 /nfs/dbraw/zinc/03/60/14/556036014.db2.gz VNLWONYKVDCMPX-DEOSSOPVSA-N 1 1 463.626 2.250 50 0 JEAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000023285730 556038003 /nfs/dbraw/zinc/03/80/03/556038003.db2.gz LNCHIHDGEHZJNG-MRXNPFEDSA-N 1 1 494.514 2.252 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000015868979 556047539 /nfs/dbraw/zinc/04/75/39/556047539.db2.gz AQJBQTFJUGAFKL-UHFFFAOYSA-N 1 1 479.668 2.162 50 0 JEAAMO CCc1nc2cc(NC(C)=O)cc(C(=O)NCCC[NH+]3CCOCC3)c2n1Cc1cccnc1 ZINC000023339591 556047756 /nfs/dbraw/zinc/04/77/56/556047756.db2.gz GEIGTTOTUOSWIM-UHFFFAOYSA-N 1 1 464.570 2.453 50 0 JEAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000023354489 556048562 /nfs/dbraw/zinc/04/85/62/556048562.db2.gz GUNNQOSHGZEDBB-UHFFFAOYSA-N 1 1 450.583 2.186 50 0 JEAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)sc2C1 ZINC000015880180 556052177 /nfs/dbraw/zinc/05/21/77/556052177.db2.gz OKDAJSSWZKFJOG-UHFFFAOYSA-N 1 1 482.628 2.057 50 0 JEAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)sc2C1 ZINC000015880180 556052181 /nfs/dbraw/zinc/05/21/81/556052181.db2.gz OKDAJSSWZKFJOG-UHFFFAOYSA-N 1 1 482.628 2.057 50 0 JEAAMO COc1ccc(-c2cnc3ncnn3c2N2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000023434146 556057259 /nfs/dbraw/zinc/05/72/59/556057259.db2.gz WIJPHDCDWSUZJT-SFHVURJKSA-N 1 1 451.575 2.272 50 0 JEAAMO O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023701864 556084186 /nfs/dbraw/zinc/08/41/86/556084186.db2.gz WZYLOEKHJGHYSD-QGZVFWFLSA-N 1 1 463.522 2.087 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015958911 556090724 /nfs/dbraw/zinc/09/07/24/556090724.db2.gz NLCRWQGQENCJHE-HOSCZWGSSA-N 1 1 480.952 2.483 50 0 biogenic JEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000023845759 556091671 /nfs/dbraw/zinc/09/16/71/556091671.db2.gz YIQFYIYKBGKORC-QFIPXVFZSA-N 1 1 457.596 2.410 50 0 JEAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016010194 556109380 /nfs/dbraw/zinc/10/93/80/556109380.db2.gz IELZRDWZZNFRMY-MESGYOSKSA-N 1 1 460.317 2.295 50 0 JEAAMO O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024113881 556122018 /nfs/dbraw/zinc/12/20/18/556122018.db2.gz KURMQXFJRDZZOY-UHFFFAOYSA-N 1 1 466.607 2.234 50 0 JEAAMO COCCCN(C(=O)C[N@@H+](C)C1CCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012940466 556154331 /nfs/dbraw/zinc/15/43/31/556154331.db2.gz IYSMHLBYMJFPHZ-UHFFFAOYSA-N 1 1 471.602 2.191 50 0 JEAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CNC(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000024823239 556156789 /nfs/dbraw/zinc/15/67/89/556156789.db2.gz DQOBNSSEKSRIEB-UHFFFAOYSA-N 1 1 491.548 2.281 50 0 JEAAMO C[C@@H](OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012951114 556160149 /nfs/dbraw/zinc/16/01/49/556160149.db2.gz RHSFZJXALDGPAM-LJQANCHMSA-N 1 1 463.534 2.339 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016992696 556196094 /nfs/dbraw/zinc/19/60/94/556196094.db2.gz UYXXAFKVGCDAGA-SFHVURJKSA-N 1 1 471.558 2.293 50 0 JEAAMO O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025229457 556205738 /nfs/dbraw/zinc/20/57/38/556205738.db2.gz DXCXAXRPQMMYAH-UHFFFAOYSA-N 1 1 485.606 2.362 50 0 JEAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000013039839 556241681 /nfs/dbraw/zinc/24/16/81/556241681.db2.gz XBSJTGOIGNCGJG-JXMROGBWSA-N 1 1 470.595 2.111 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000013041184 556246047 /nfs/dbraw/zinc/24/60/47/556246047.db2.gz DGCQBIFYLCMUOA-UHFFFAOYSA-N 1 1 483.704 2.326 50 0 JEAAMO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CC[NH+](CCc4ccccc4)CC3)nc(=O)c12 ZINC000027576944 556299875 /nfs/dbraw/zinc/29/98/75/556299875.db2.gz BSVPARVQKAYWKC-UHFFFAOYSA-N 1 1 484.578 2.259 50 0 JEAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000019334412 556342924 /nfs/dbraw/zinc/34/29/24/556342924.db2.gz VUOZUJMXRSYJCN-UHFFFAOYSA-N 1 1 453.518 2.465 50 0 JEAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000019334412 556342927 /nfs/dbraw/zinc/34/29/27/556342927.db2.gz VUOZUJMXRSYJCN-UHFFFAOYSA-N 1 1 453.518 2.465 50 0 JEAAMO Cc1ccsc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013128026 556345895 /nfs/dbraw/zinc/34/58/95/556345895.db2.gz WREJBQQYLIHIMR-UHFFFAOYSA-N 1 1 479.624 2.183 50 0 JEAAMO Cc1ccsc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013128026 556345897 /nfs/dbraw/zinc/34/58/97/556345897.db2.gz WREJBQQYLIHIMR-UHFFFAOYSA-N 1 1 479.624 2.183 50 0 JEAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)ccc1O ZINC000019742044 556364571 /nfs/dbraw/zinc/36/45/71/556364571.db2.gz LKILHDUQHWXEGY-UHFFFAOYSA-N 1 1 453.518 2.091 50 0 JEAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)ccc1OC ZINC000019744139 556365530 /nfs/dbraw/zinc/36/55/30/556365530.db2.gz BJSNMJOGBXUGQZ-UHFFFAOYSA-N 1 1 479.581 2.481 50 0 JEAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754847 556487086 /nfs/dbraw/zinc/48/70/86/556487086.db2.gz QUWJILORDKCYJT-QHCPKHFHSA-N 1 1 482.537 2.306 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000032863577 556515219 /nfs/dbraw/zinc/51/52/19/556515219.db2.gz YBQLPPSLICBUKH-INIZCTEOSA-N 1 1 493.457 2.366 50 0 JEAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@H]4CC(=O)N(c5ccccc5)C4=O)CC3)n2)cc1OC ZINC000008694559 569593135 /nfs/dbraw/zinc/59/31/35/569593135.db2.gz MNJVEAWRTGEYRV-IBGZPJMESA-N 1 1 462.510 2.326 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)CC2)cc1 ZINC000057289958 569595679 /nfs/dbraw/zinc/59/56/79/569595679.db2.gz IXGSKEROSHQXSS-FQEVSTJZSA-N 1 1 493.651 2.271 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)CC2)cc1 ZINC000057289958 569595681 /nfs/dbraw/zinc/59/56/81/569595681.db2.gz IXGSKEROSHQXSS-FQEVSTJZSA-N 1 1 493.651 2.271 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414473 569599644 /nfs/dbraw/zinc/59/96/44/569599644.db2.gz XGAGSOKMVYOHSM-DEOSSOPVSA-N 1 1 480.565 2.303 50 0 JEAAMO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000032987093 569609314 /nfs/dbraw/zinc/60/93/14/569609314.db2.gz ILUFSAZVNCSYIN-UHFFFAOYSA-N 1 1 462.645 2.086 50 0 JEAAMO OC[C@@H](c1ccc2c(c1)OCO2)[N@@H+](CCc1nnc2ccccn21)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000062577281 569611516 /nfs/dbraw/zinc/61/15/16/569611516.db2.gz WXKPJYMZBOBKQH-VQTJNVASSA-N 1 1 490.516 2.498 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064450764 569617295 /nfs/dbraw/zinc/61/72/95/569617295.db2.gz CCJKZEVONPBROT-MRXNPFEDSA-N 1 1 475.571 2.025 50 0 JEAAMO Cn1ncc2c3ccccc3n(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1=O ZINC000064775921 569627719 /nfs/dbraw/zinc/62/77/19/569627719.db2.gz DEHFJFKGXDQLSI-UHFFFAOYSA-N 1 1 478.984 2.480 50 0 JEAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)COc2ccccc2)CC3)CC1 ZINC000034676728 569641519 /nfs/dbraw/zinc/64/15/19/569641519.db2.gz GWJBATKJWICMPO-UHFFFAOYSA-N 1 1 464.614 2.428 50 0 JEAAMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677114 569641723 /nfs/dbraw/zinc/64/17/23/569641723.db2.gz QDXLAKJVTNYHLH-FQEVSTJZSA-N 1 1 497.562 2.442 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)c1 ZINC000034692146 569646318 /nfs/dbraw/zinc/64/63/18/569646318.db2.gz XHRFWRWSJMKBLB-DEOSSOPVSA-N 1 1 466.582 2.454 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)c1 ZINC000034692146 569646319 /nfs/dbraw/zinc/64/63/19/569646319.db2.gz XHRFWRWSJMKBLB-DEOSSOPVSA-N 1 1 466.582 2.454 50 0 JEAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1OC ZINC000034692166 569646378 /nfs/dbraw/zinc/64/63/78/569646378.db2.gz KJFACGYAWYHYGF-QHCPKHFHSA-N 1 1 496.608 2.462 50 0 JEAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1OC ZINC000034692166 569646379 /nfs/dbraw/zinc/64/63/79/569646379.db2.gz KJFACGYAWYHYGF-QHCPKHFHSA-N 1 1 496.608 2.462 50 0 JEAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NCc3ccccc3)c2)c1 ZINC000065025314 569650689 /nfs/dbraw/zinc/65/06/89/569650689.db2.gz ZZBIXGINCKKCIS-UHFFFAOYSA-N 1 1 481.578 2.231 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036121 569653007 /nfs/dbraw/zinc/65/30/07/569653007.db2.gz PQPWXKMUVCGUHN-KRWDZBQOSA-N 1 1 495.671 2.000 50 0 JEAAMO CN1C2=C(C(=O)N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000034792868 569660677 /nfs/dbraw/zinc/66/06/77/569660677.db2.gz TVDJZMZMZXBUFG-XMMPIXPASA-N 1 1 493.995 2.477 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000034927825 569673197 /nfs/dbraw/zinc/67/31/97/569673197.db2.gz BZCMWTJRIRMAIZ-DNQXCXABSA-N 1 1 451.567 2.452 50 0 JEAAMO Cc1nc2ccc(S(=O)(=O)N3CCN(c4cc(N5CCOCC5)[nH+]c(C)n4)CC3)cc2s1 ZINC000065362324 569675145 /nfs/dbraw/zinc/67/51/45/569675145.db2.gz XRSKNHVUGJLDJC-UHFFFAOYSA-N 1 1 474.612 2.051 50 0 JEAAMO C[C@H]1CCC[C@H](C)[NH+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035401635 569691028 /nfs/dbraw/zinc/69/10/28/569691028.db2.gz JWJNCDYJWIKEDT-ROUUACIJSA-N 1 1 472.602 2.040 50 0 JEAAMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403219 569691291 /nfs/dbraw/zinc/69/12/91/569691291.db2.gz DPVBQRLOOVMKSS-HSZRJFAPSA-N 1 1 466.557 2.120 50 0 JEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)cc2)CC1 ZINC000069947073 569694119 /nfs/dbraw/zinc/69/41/19/569694119.db2.gz WCZAMZMAPVXCGL-RUZDIDTESA-N 1 1 475.593 2.238 50 0 JEAAMO Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccnc32)cc1 ZINC000035450252 569696594 /nfs/dbraw/zinc/69/65/94/569696594.db2.gz RYLJNNUGWOOVFS-UHFFFAOYSA-N 1 1 483.572 2.259 50 0 JEAAMO C[C@@H]1CN(c2ccc(NC(=O)Nc3cnn(CC(=O)N4CC[NH+](C)CC4)c3)cc2F)C[C@@H](C)O1 ZINC000072274001 569701498 /nfs/dbraw/zinc/70/14/98/569701498.db2.gz OYXLPDCPZOHFRF-IAGOWNOFSA-N 1 1 473.553 2.054 50 0 JEAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000035877142 569719750 /nfs/dbraw/zinc/71/97/50/569719750.db2.gz QMQYCPZNPNJDTN-TXDLGXNGSA-N 1 1 479.508 2.312 50 0 JEAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000035877142 569719751 /nfs/dbraw/zinc/71/97/51/569719751.db2.gz QMQYCPZNPNJDTN-TXDLGXNGSA-N 1 1 479.508 2.312 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCc3cccs3)[C@H]2C1)N1CCCC1 ZINC000035893455 569722885 /nfs/dbraw/zinc/72/28/85/569722885.db2.gz WWDUZIZWKSTHOT-FYYLOGMGSA-N 1 1 452.624 2.392 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCCc3cccs3)[C@H]2C1)N1CCCC1 ZINC000035893455 569722886 /nfs/dbraw/zinc/72/28/86/569722886.db2.gz WWDUZIZWKSTHOT-FYYLOGMGSA-N 1 1 452.624 2.392 50 0 JEAAMO Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000095480814 569724810 /nfs/dbraw/zinc/72/48/10/569724810.db2.gz OHEFEJUCYKIBFJ-VMPITWQZSA-N 1 1 454.640 2.471 50 0 JEAAMO COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000035911125 569726425 /nfs/dbraw/zinc/72/64/25/569726425.db2.gz NTYSCHYGOKXVTA-AOYPEHQESA-N 1 1 464.610 2.401 50 0 JEAAMO COc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925330 569728773 /nfs/dbraw/zinc/72/87/73/569728773.db2.gz RGVXKCGZNHMIBA-UHFFFAOYSA-N 1 1 488.592 2.063 50 0 JEAAMO Cc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925321 569728778 /nfs/dbraw/zinc/72/87/78/569728778.db2.gz YWHJIYOCPHJVCT-UHFFFAOYSA-N 1 1 472.593 2.363 50 0 JEAAMO O=C(C1CCCCC1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925317 569728788 /nfs/dbraw/zinc/72/87/88/569728788.db2.gz DXPBHCXJZKSOMG-UHFFFAOYSA-N 1 1 464.614 2.321 50 0 JEAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967530 569738706 /nfs/dbraw/zinc/73/87/06/569738706.db2.gz MBSQNBRUWNDWEB-FQEVSTJZSA-N 1 1 479.503 2.052 50 0 JEAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967532 569738713 /nfs/dbraw/zinc/73/87/13/569738713.db2.gz MBSQNBRUWNDWEB-HXUWFJFHSA-N 1 1 479.503 2.052 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000096221770 569739087 /nfs/dbraw/zinc/73/90/87/569739087.db2.gz BTHXAPUXVRAWKI-ILWGZMRPSA-N 1 1 456.587 2.319 50 0 biogenic JEAAMO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCN(C(C)=O)CC3)C3CCCC3)CC2)cc1 ZINC000036250407 569758324 /nfs/dbraw/zinc/75/83/24/569758324.db2.gz OTFIVBUFMJWWRH-XMMPIXPASA-N 1 1 454.615 2.256 50 0 JEAAMO CC1CCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H]([NH+]5CCC(C)CC5)C4=O)cc3)C2=O)CC1 ZINC000100623859 569765683 /nfs/dbraw/zinc/76/56/83/569765683.db2.gz QZPAJFNBSJJCKO-VXKWHMMOSA-N 1 1 466.582 2.414 50 0 JEAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000036593445 569777211 /nfs/dbraw/zinc/77/72/11/569777211.db2.gz FWJBQGCOYWSUKL-IRLDBZIGSA-N 1 1 467.609 2.038 50 0 JEAAMO Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CC[NH+](C)CC2)C(=O)CO3)c1C ZINC000037512063 569791932 /nfs/dbraw/zinc/79/19/32/569791932.db2.gz PBLQGSVFJZIADV-UHFFFAOYSA-N 1 1 465.550 2.373 50 0 JEAAMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040040212 569814733 /nfs/dbraw/zinc/81/47/33/569814733.db2.gz OPGQYVTUQIAZMA-MRXNPFEDSA-N 1 1 495.548 2.262 50 0 JEAAMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040040212 569814734 /nfs/dbraw/zinc/81/47/34/569814734.db2.gz OPGQYVTUQIAZMA-MRXNPFEDSA-N 1 1 495.548 2.262 50 0 JEAAMO CC[C@H](CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000040081368 569815713 /nfs/dbraw/zinc/81/57/13/569815713.db2.gz GHDUKCINPVOTTD-OAQYLSRUSA-N 1 1 459.612 2.486 50 0 JEAAMO CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000040081366 569815720 /nfs/dbraw/zinc/81/57/20/569815720.db2.gz GHDUKCINPVOTTD-NRFANRHFSA-N 1 1 459.612 2.486 50 0 JEAAMO O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000040926788 569834717 /nfs/dbraw/zinc/83/47/17/569834717.db2.gz JPXHHMOXRRDJCS-UHFFFAOYSA-N 1 1 487.560 2.389 50 0 JEAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000043732412 569838259 /nfs/dbraw/zinc/83/82/59/569838259.db2.gz DUSBETSVXILJKT-RJZVVRIISA-N 1 1 458.628 2.340 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000103868936 569838768 /nfs/dbraw/zinc/83/87/68/569838768.db2.gz OAFQXXFNZXSTAY-QXGSTGNESA-N 1 1 450.630 2.360 50 0 JEAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000245325954 570064517 /nfs/dbraw/zinc/06/45/17/570064517.db2.gz IELZRDWZZNFRMY-RFLVDRKPSA-N 1 1 460.317 2.295 50 0 JEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263584827 570170723 /nfs/dbraw/zinc/17/07/23/570170723.db2.gz BHXXJNAYAGRHOP-LSDHHAIUSA-N 1 1 480.521 2.191 50 0 biogenic JEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263584827 570170724 /nfs/dbraw/zinc/17/07/24/570170724.db2.gz BHXXJNAYAGRHOP-LSDHHAIUSA-N 1 1 480.521 2.191 50 0 biogenic JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2C)C1=O ZINC000299766737 570175368 /nfs/dbraw/zinc/17/53/68/570175368.db2.gz RQCGPNLRDHAHCG-HHHXNRCGSA-N 1 1 463.578 2.373 50 0 JEAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(N)=O)C1 ZINC000003007175 194202015 /nfs/dbraw/zinc/20/20/15/194202015.db2.gz DKSOKMIOGBLYTO-UHFFFAOYSA-N 1 1 450.586 2.116 50 0 JEAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(N)=O)C1 ZINC000003007175 194202018 /nfs/dbraw/zinc/20/20/18/194202018.db2.gz DKSOKMIOGBLYTO-UHFFFAOYSA-N 1 1 450.586 2.116 50 0 JEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1 ZINC000004110800 194379441 /nfs/dbraw/zinc/37/94/41/194379441.db2.gz CVZVXEIKYKIHIG-KDURUIRLSA-N 1 1 488.654 2.421 50 0 JEAAMO C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000012767800 195115064 /nfs/dbraw/zinc/11/50/64/195115064.db2.gz MFSUIHMGYZUAHJ-OAQYLSRUSA-N 1 1 475.492 2.231 50 0 JEAAMO C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000012767800 195115060 /nfs/dbraw/zinc/11/50/60/195115060.db2.gz MFSUIHMGYZUAHJ-OAQYLSRUSA-N 1 1 475.492 2.231 50 0 JEAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000012779207 195123321 /nfs/dbraw/zinc/12/33/21/195123321.db2.gz AAZREDPBRXPJNX-LJQANCHMSA-N 1 1 472.611 2.355 50 0 JEAAMO Cc1ccc(N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012810513 195143968 /nfs/dbraw/zinc/14/39/68/195143968.db2.gz DGNMWKYNOSRCNG-OAQYLSRUSA-N 1 1 486.638 2.161 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)c(C)c1 ZINC000012821859 195149868 /nfs/dbraw/zinc/14/98/68/195149868.db2.gz UCYLIRKYBBOUCA-JOCHJYFZSA-N 1 1 465.660 2.486 50 0 JEAAMO COc1ccc(CN2C[C@@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000020724461 195206924 /nfs/dbraw/zinc/20/69/24/195206924.db2.gz QSNIFEDDCQWMSR-DEOSSOPVSA-N 1 1 464.610 2.368 50 0 JEAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020776620 195223975 /nfs/dbraw/zinc/22/39/75/195223975.db2.gz FAHVWCRLOPXMBT-UHFFFAOYSA-N 1 1 491.544 2.481 50 0 JEAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020776620 195223978 /nfs/dbraw/zinc/22/39/78/195223978.db2.gz FAHVWCRLOPXMBT-UHFFFAOYSA-N 1 1 491.544 2.481 50 0 JEAAMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020923505 195248605 /nfs/dbraw/zinc/24/86/05/195248605.db2.gz QOVNAHBUBKWDFQ-JOCHJYFZSA-N 1 1 494.617 2.273 50 0 JEAAMO CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)CCS2 ZINC000021094132 195275256 /nfs/dbraw/zinc/27/52/56/195275256.db2.gz RXIJNLJZWXRNQE-UHFFFAOYSA-N 1 1 474.652 2.193 50 0 JEAAMO CC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2)Cc1ccccc1 ZINC000021887776 195325478 /nfs/dbraw/zinc/32/54/78/195325478.db2.gz WMPYGQCYFMQXOJ-UHFFFAOYSA-N 1 1 477.627 2.072 50 0 biogenic JEAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)N2C(C)=O ZINC000021926045 195334381 /nfs/dbraw/zinc/33/43/81/195334381.db2.gz NSHXEKXGKOWPGC-RUZDIDTESA-N 1 1 498.649 2.339 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000021944466 195340324 /nfs/dbraw/zinc/34/03/24/195340324.db2.gz ZRQOGTTWVPPOMI-LJQANCHMSA-N 1 1 454.958 2.465 50 0 JEAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058157101 195367354 /nfs/dbraw/zinc/36/73/54/195367354.db2.gz DJHHEHOSCBGVAS-NRFANRHFSA-N 1 1 452.555 2.029 50 0 JEAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000058157101 195367357 /nfs/dbraw/zinc/36/73/57/195367357.db2.gz DJHHEHOSCBGVAS-NRFANRHFSA-N 1 1 452.555 2.029 50 0 JEAAMO Cc1[nH+]ccn1CCCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000058162029 195369457 /nfs/dbraw/zinc/36/94/57/195369457.db2.gz CCUPQNPIGJQAJB-UHFFFAOYSA-N 1 1 461.407 2.329 50 0 JEAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)c1 ZINC000058307619 195377040 /nfs/dbraw/zinc/37/70/40/195377040.db2.gz UXOKERSWGJKWSZ-HSZRJFAPSA-N 1 1 482.581 2.385 50 0 JEAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)[NH2+][C@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000064198490 195434242 /nfs/dbraw/zinc/43/42/42/195434242.db2.gz LDDONVOZWGKZGG-XLNZQSRMSA-N 1 1 472.929 2.305 50 0 JEAAMO CC(=O)NCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000012203532 519654631 /nfs/dbraw/zinc/65/46/31/519654631.db2.gz IBAIFBPDUBHRJV-DEOSSOPVSA-N 1 1 450.583 2.295 50 0 JEAAMO CC(=O)NCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000012203532 519654633 /nfs/dbraw/zinc/65/46/33/519654633.db2.gz IBAIFBPDUBHRJV-DEOSSOPVSA-N 1 1 450.583 2.295 50 0 JEAAMO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014733217 519666579 /nfs/dbraw/zinc/66/65/79/519666579.db2.gz ZKSJBIHJCDEGRQ-LEWJYISDSA-N 1 1 454.546 2.197 50 0 JEAAMO CCCC(=O)OC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156787 519880857 /nfs/dbraw/zinc/88/08/57/519880857.db2.gz PNICPBLTUBEHJF-HNNXBMFYSA-N 1 1 451.589 2.406 50 0 JEAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156787 519880859 /nfs/dbraw/zinc/88/08/59/519880859.db2.gz PNICPBLTUBEHJF-HNNXBMFYSA-N 1 1 451.589 2.406 50 0 JEAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793352 521663667 /nfs/dbraw/zinc/66/36/67/521663667.db2.gz BGONNEVEHBYFME-HXUWFJFHSA-N 1 1 480.396 2.340 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)CC1 ZINC000033315269 521680690 /nfs/dbraw/zinc/68/06/90/521680690.db2.gz WPGZZTQRRLGKTK-HXUWFJFHSA-N 1 1 459.664 2.306 50 0 JEAAMO CC[NH+]1CCN(c2ccc(NC(=O)COC)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919569 521698529 /nfs/dbraw/zinc/69/85/29/521698529.db2.gz DXWZJHHUIMBLNT-GOSISDBHSA-N 1 1 460.600 2.453 50 0 JEAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)cc1 ZINC000020449841 522018501 /nfs/dbraw/zinc/01/85/01/522018501.db2.gz WUELMWIJXOAJMW-UHFFFAOYSA-N 1 1 463.538 2.104 50 0 JEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)o1 ZINC000014989177 522962026 /nfs/dbraw/zinc/96/20/26/522962026.db2.gz ORPBCJAHSUOKQY-KRWDZBQOSA-N 1 1 481.553 2.413 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000014995716 523798021 /nfs/dbraw/zinc/79/80/21/523798021.db2.gz IUEVABAAUVNAFP-GJZUVCINSA-N 1 1 467.541 2.374 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2F)C1=O ZINC000014995716 523798030 /nfs/dbraw/zinc/79/80/30/523798030.db2.gz IUEVABAAUVNAFP-GJZUVCINSA-N 1 1 467.541 2.374 50 0 JEAAMO 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JEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120867 556334523 /nfs/dbraw/zinc/33/45/23/556334523.db2.gz OFEZFBHSLLZGRY-QFIPXVFZSA-N 1 1 485.606 2.269 50 0 JEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013120867 556334528 /nfs/dbraw/zinc/33/45/28/556334528.db2.gz OFEZFBHSLLZGRY-QFIPXVFZSA-N 1 1 485.606 2.269 50 0 JEAAMO NS(=O)(=O)c1cccc(NC(=O)CCN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000028891553 556343726 /nfs/dbraw/zinc/34/37/26/556343726.db2.gz KTFBXAKPUXURJQ-UHFFFAOYSA-N 1 1 470.517 2.499 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000019739621 556363609 /nfs/dbraw/zinc/36/36/09/556363609.db2.gz YHXALATZCUFKIW-LJQANCHMSA-N 1 1 497.592 2.176 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O ZINC000019740145 556364053 /nfs/dbraw/zinc/36/40/53/556364053.db2.gz MITRPKJJICJWJS-AMGIVPHBSA-N 1 1 479.577 2.244 50 0 JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O ZINC000019740145 556364055 /nfs/dbraw/zinc/36/40/55/556364055.db2.gz MITRPKJJICJWJS-AMGIVPHBSA-N 1 1 479.577 2.244 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019744437 556365603 /nfs/dbraw/zinc/36/56/03/556365603.db2.gz RFEWAQLZBRKTMH-NRFANRHFSA-N 1 1 483.565 2.092 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019744437 556365605 /nfs/dbraw/zinc/36/56/05/556365605.db2.gz RFEWAQLZBRKTMH-NRFANRHFSA-N 1 1 483.565 2.092 50 0 JEAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000031577428 556399785 /nfs/dbraw/zinc/39/97/85/556399785.db2.gz PGOMEIGMYDPNLQ-UHFFFAOYSA-N 1 1 499.578 2.357 50 0 JEAAMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000031577428 556399788 /nfs/dbraw/zinc/39/97/88/556399788.db2.gz PGOMEIGMYDPNLQ-UHFFFAOYSA-N 1 1 499.578 2.357 50 0 JEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 ZINC000032268064 556433925 /nfs/dbraw/zinc/43/39/25/556433925.db2.gz WDIPWTFMZXWCTK-MJGOQNOKSA-N 1 1 490.464 2.225 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000032995446 569610217 /nfs/dbraw/zinc/61/02/17/569610217.db2.gz SNOUNNOZMDYUHY-UHFFFAOYSA-N 1 1 462.595 2.396 50 0 JEAAMO COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000033332338 569624782 /nfs/dbraw/zinc/62/47/82/569624782.db2.gz KBVZVLBSXYENLX-AQTBWJFISA-N 1 1 454.483 2.157 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000064846439 569638517 /nfs/dbraw/zinc/63/85/17/569638517.db2.gz CXLUSGGRQUNJIY-HXUWFJFHSA-N 1 1 476.643 2.131 50 0 JEAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677071 569641767 /nfs/dbraw/zinc/64/17/67/569641767.db2.gz KDRPVFSUVMFDPJ-NRFANRHFSA-N 1 1 480.565 2.171 50 0 JEAAMO O=C(COc1ccccc1)N1CCC[N@H+](C[C@@H]2CN(C(=O)NCc3ccccc3)CCO2)CC1 ZINC000034692175 569646487 /nfs/dbraw/zinc/64/64/87/569646487.db2.gz ITZISLDADBNVHF-XMMPIXPASA-N 1 1 466.582 2.210 50 0 JEAAMO O=C(COc1ccccc1)N1CCC[N@@H+](C[C@@H]2CN(C(=O)NCc3ccccc3)CCO2)CC1 ZINC000034692175 569646488 /nfs/dbraw/zinc/64/64/88/569646488.db2.gz ITZISLDADBNVHF-XMMPIXPASA-N 1 1 466.582 2.210 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034810795 569661622 /nfs/dbraw/zinc/66/16/22/569661622.db2.gz ZVXFGPBQGCGYIZ-UHFFFAOYSA-N 1 1 465.476 2.010 50 0 JEAAMO CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067205221 569677883 /nfs/dbraw/zinc/67/78/83/569677883.db2.gz IUVVIMBFJADWFK-QHCPKHFHSA-N 1 1 497.640 2.226 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4Cl)c(=O)c3s2)CC1 ZINC000067225983 569680971 /nfs/dbraw/zinc/68/09/71/569680971.db2.gz UFKBIZNIIKQIEO-UHFFFAOYSA-N 1 1 450.927 2.426 50 0 JEAAMO CCOc1ccc(-c2noc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)n2)cc1OC ZINC000035375138 569684432 /nfs/dbraw/zinc/68/44/32/569684432.db2.gz XWFGJOZEBAQBTR-UHFFFAOYSA-N 1 1 473.574 2.199 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287752 569684679 /nfs/dbraw/zinc/68/46/79/569684679.db2.gz UAGNBNKWZZKYKM-QHCPKHFHSA-N 1 1 472.586 2.435 50 0 JEAAMO CCc1nnc2n1C[C@@H](C[NH+](CC(=O)N(C)Cc1ccco1)CC(=O)N(C)Cc1ccco1)CC2 ZINC000069665104 569693633 /nfs/dbraw/zinc/69/36/33/569693633.db2.gz BKVRMUUZBBGMDU-LJQANCHMSA-N 1 1 482.585 2.208 50 0 JEAAMO COc1ccc(Cn2ccc3nc(C)c(C(=O)NCCC[NH+]4CCOCC4)cc3c2=O)cc1 ZINC000035426909 569694065 /nfs/dbraw/zinc/69/40/65/569694065.db2.gz CFZVLUDFNLHGRC-UHFFFAOYSA-N 1 1 450.539 2.214 50 0 JEAAMO O=C(CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000069946432 569694116 /nfs/dbraw/zinc/69/41/16/569694116.db2.gz UAQITSYGJCWKQK-XMMPIXPASA-N 1 1 477.657 2.050 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCc3cccs3)[C@@H]2C1)N1CCCC1 ZINC000035893457 569722802 /nfs/dbraw/zinc/72/28/02/569722802.db2.gz WWDUZIZWKSTHOT-GMAHTHKFSA-N 1 1 452.624 2.392 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCCc3cccs3)[C@@H]2C1)N1CCCC1 ZINC000035893457 569722803 /nfs/dbraw/zinc/72/28/03/569722803.db2.gz WWDUZIZWKSTHOT-GMAHTHKFSA-N 1 1 452.624 2.392 50 0 JEAAMO CC[NH+]1CCN(C(=O)CCN2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3C)CC1 ZINC000035967667 569738938 /nfs/dbraw/zinc/73/89/38/569738938.db2.gz BMFLLXXDOQFIEQ-HXUWFJFHSA-N 1 1 479.503 2.052 50 0 JEAAMO C[NH+]1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981904 569742743 /nfs/dbraw/zinc/74/27/43/569742743.db2.gz LILREXGZUCLBPC-NRFANRHFSA-N 1 1 488.604 2.196 50 0 JEAAMO C[C@@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000097086687 569744123 /nfs/dbraw/zinc/74/41/23/569744123.db2.gz OEJSRTJRWKKEAT-SFHVURJKSA-N 1 1 461.657 2.434 50 0 JEAAMO COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)C[C@@H]3CCCO3)no2)c1 ZINC000036015325 569749085 /nfs/dbraw/zinc/74/90/85/569749085.db2.gz BOEMEEBXMFEPEZ-IBGZPJMESA-N 1 1 486.569 2.144 50 0 JEAAMO COCCn1c(CN(CC[NH+](C)C)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039950 569752836 /nfs/dbraw/zinc/75/28/36/569752836.db2.gz SZOPBMRXZQWSPX-UHFFFAOYSA-N 1 1 483.034 2.457 50 0 JEAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000036250391 569758293 /nfs/dbraw/zinc/75/82/93/569758293.db2.gz ZYLGWUPZEQYVOG-QFIPXVFZSA-N 1 1 461.006 2.347 50 0 JEAAMO Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CC[NH+](C)CC2)C(=O)CO3)c1 ZINC000037512102 569791938 /nfs/dbraw/zinc/79/19/38/569791938.db2.gz DNFOOSGTHBNDFS-UHFFFAOYSA-N 1 1 471.941 2.410 50 0 JEAAMO C[NH+]1CCN(C(=O)CCCN2C(=O)COc3ccc(C(=O)COc4cccc(F)c4)cc32)CC1 ZINC000037512836 569792469 /nfs/dbraw/zinc/79/24/69/569792469.db2.gz MQAWCTLJDQDHTO-UHFFFAOYSA-N 1 1 469.513 2.367 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)COc4ccccc4)CCO3)CC2)c1 ZINC000037613858 569799470 /nfs/dbraw/zinc/79/94/70/569799470.db2.gz RWBHSOMIVGGADY-XMMPIXPASA-N 1 1 467.566 2.150 50 0 JEAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)COc4ccccc4)CCO3)CC2)c1 ZINC000037613858 569799471 /nfs/dbraw/zinc/79/94/71/569799471.db2.gz RWBHSOMIVGGADY-XMMPIXPASA-N 1 1 467.566 2.150 50 0 JEAAMO COc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000040081471 569815663 /nfs/dbraw/zinc/81/56/63/569815663.db2.gz ODYXHAYRUVGZMF-QFIPXVFZSA-N 1 1 486.638 2.245 50 0 JEAAMO COc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000040081471 569815665 /nfs/dbraw/zinc/81/56/65/569815665.db2.gz ODYXHAYRUVGZMF-QFIPXVFZSA-N 1 1 486.638 2.245 50 0 JEAAMO COc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000040081471 569815667 /nfs/dbraw/zinc/81/56/67/569815667.db2.gz ODYXHAYRUVGZMF-QFIPXVFZSA-N 1 1 486.638 2.245 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000104424611 569845771 /nfs/dbraw/zinc/84/57/71/569845771.db2.gz BUFMTOITERSITF-AVRDEDQJSA-N 1 1 457.575 2.203 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000105852002 569853521 /nfs/dbraw/zinc/85/35/21/569853521.db2.gz WZBOSHKFGGPVED-WOJBJXKFSA-N 1 1 464.676 2.094 50 0 JEAAMO CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC[C@@H]4CCC[N@H+]4CC)C3)c(C)cc2NC1=O ZINC000106304465 569853947 /nfs/dbraw/zinc/85/39/47/569853947.db2.gz ZMTVJUQFXIETFL-HBFSDRIKSA-N 1 1 492.642 2.106 50 0 JEAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678699 569869220 /nfs/dbraw/zinc/86/92/20/569869220.db2.gz NTEWPKZEVIJGTC-IRLDBZIGSA-N 1 1 496.574 2.389 50 0 JEAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169678699 569869221 /nfs/dbraw/zinc/86/92/21/569869221.db2.gz NTEWPKZEVIJGTC-IRLDBZIGSA-N 1 1 496.574 2.389 50 0 JEAAMO COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000169678953 569869454 /nfs/dbraw/zinc/86/94/54/569869454.db2.gz NTYSCHYGOKXVTA-AZGAKELHSA-N 1 1 464.610 2.401 50 0 JEAAMO COC(=O)C[C@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225417006 569995809 /nfs/dbraw/zinc/99/58/09/569995809.db2.gz QEMVYUWZNYAZOV-IMFGXOCKSA-N 1 1 477.517 2.216 50 0 biogenic JEAAMO COC(=O)C[C@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225417006 569995810 /nfs/dbraw/zinc/99/58/10/569995810.db2.gz QEMVYUWZNYAZOV-IMFGXOCKSA-N 1 1 477.517 2.216 50 0 biogenic JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000230052574 570044120 /nfs/dbraw/zinc/04/41/20/570044120.db2.gz JSTPPTPAHRUDNT-XXPWESIGSA-N 1 1 451.454 2.274 50 0 JEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000230052574 570044121 /nfs/dbraw/zinc/04/41/21/570044121.db2.gz JSTPPTPAHRUDNT-XXPWESIGSA-N 1 1 451.454 2.274 50 0 JEAAMO CCCC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000239425840 570051996 /nfs/dbraw/zinc/05/19/96/570051996.db2.gz VIYXAYCNUJJQSP-NMYOGCBASA-N 1 1 484.593 2.422 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245226216 570055049 /nfs/dbraw/zinc/05/50/49/570055049.db2.gz KUIZFCYTWLYTDP-TXNPELCJSA-N 1 1 463.465 2.434 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245226216 570055050 /nfs/dbraw/zinc/05/50/50/570055050.db2.gz KUIZFCYTWLYTDP-TXNPELCJSA-N 1 1 463.465 2.434 50 0 JEAAMO O=C(Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000245238119 570057407 /nfs/dbraw/zinc/05/74/07/570057407.db2.gz UCQAUDDDXOSYLX-DUXKGJEZSA-N 1 1 476.668 2.290 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245343409 570067184 /nfs/dbraw/zinc/06/71/84/570067184.db2.gz OAFQXXFNZXSTAY-QGWWYQLQSA-N 1 1 450.630 2.360 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000249682025 570078563 /nfs/dbraw/zinc/07/85/63/570078563.db2.gz BVKXZOKRJLPNKP-FYSMJZIKSA-N 1 1 478.549 2.419 50 0 biogenic JEAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000253395454 570095879 /nfs/dbraw/zinc/09/58/79/570095879.db2.gz AKYXQALDYQSJGE-MMOPVJDHSA-N 1 1 491.544 2.142 50 0 biogenic JEAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000253395454 570095880 /nfs/dbraw/zinc/09/58/80/570095880.db2.gz AKYXQALDYQSJGE-MMOPVJDHSA-N 1 1 491.544 2.142 50 0 biogenic JEAAMO NC(=O)C[C@@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253412709 570097978 /nfs/dbraw/zinc/09/79/78/570097978.db2.gz RTSMHHAKSBKRLB-KPFFTGBYSA-N 1 1 461.518 2.134 50 0 biogenic JEAAMO NC(=O)C[C@@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253412709 570097979 /nfs/dbraw/zinc/09/79/79/570097979.db2.gz RTSMHHAKSBKRLB-KPFFTGBYSA-N 1 1 461.518 2.134 50 0 biogenic JEAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2C)C1=O ZINC000299766740 570175385 /nfs/dbraw/zinc/17/53/85/570175385.db2.gz RQCGPNLRDHAHCG-MHZLTWQESA-N 1 1 463.578 2.373 50 0 JEAAMO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)Cc2cc(OC)ccc2O1 ZINC000299782182 570176529 /nfs/dbraw/zinc/17/65/29/570176529.db2.gz VKOVUZBSAGRYIE-NHCUHLMSSA-N 1 1 452.555 2.228 50 0 JEAAMO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)Cc2cc(OC)ccc2O1 ZINC000299782182 570176530 /nfs/dbraw/zinc/17/65/30/570176530.db2.gz VKOVUZBSAGRYIE-NHCUHLMSSA-N 1 1 452.555 2.228 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000334159471 570184511 /nfs/dbraw/zinc/18/45/11/570184511.db2.gz BTHXAPUXVRAWKI-KSEOMHKRSA-N 1 1 456.587 2.319 50 0 JEAAMO COc1ccccc1CCN1C(=O)N[C@H](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000334159560 570184617 /nfs/dbraw/zinc/18/46/17/570184617.db2.gz YZUWTDHXIVMNAW-HBMCJLEFSA-N 1 1 456.587 2.319 50 0 JEAAMO COc1cc2c(c3oc(=O)c(CCC(=O)N4CC[NH+](CCO)CC4)c(C)c13)CCC(C)(C)O2 ZINC000020759404 195217227 /nfs/dbraw/zinc/21/72/27/195217227.db2.gz NPUVXAYPKBBGMY-UHFFFAOYSA-N 1 1 458.555 2.283 50 0 biogenic JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2F)C1=O ZINC000020785274 195225489 /nfs/dbraw/zinc/22/54/89/195225489.db2.gz BKKRENWNYVOTPG-AREMUKBSSA-N 1 1 467.541 2.203 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000020906738 195245516 /nfs/dbraw/zinc/24/55/16/195245516.db2.gz PMEFKOWCRXYIOG-HXUWFJFHSA-N 1 1 467.566 2.167 50 0 JEAAMO CCOc1ccccc1C[N@H+]1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000020913804 195246213 /nfs/dbraw/zinc/24/62/13/195246213.db2.gz JOZQSKSRYDMQAU-OAQYLSRUSA-N 1 1 497.592 2.482 50 0 JEAAMO CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000020913804 195246216 /nfs/dbraw/zinc/24/62/16/195246216.db2.gz JOZQSKSRYDMQAU-OAQYLSRUSA-N 1 1 497.592 2.482 50 0 JEAAMO Cc1nn(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000021017886 195266913 /nfs/dbraw/zinc/26/69/13/195266913.db2.gz NDVQWHXMVFEIDC-UHFFFAOYSA-N 1 1 499.619 2.191 50 0 JEAAMO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000021052328 195272852 /nfs/dbraw/zinc/27/28/52/195272852.db2.gz UDYCECYRKFJBSV-QFIPXVFZSA-N 1 1 478.684 2.375 50 0 JEAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4CCC[C@@H](C)C4)nc(C)n3n2)cc1 ZINC000021525924 195304704 /nfs/dbraw/zinc/30/47/04/195304704.db2.gz JLROEZUCUVERCD-QGZVFWFLSA-N 1 1 452.559 2.113 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)CC1 ZINC000021527860 195306264 /nfs/dbraw/zinc/30/62/64/195306264.db2.gz WIZDHLBSIQNQAJ-UHFFFAOYSA-N 1 1 458.566 2.065 50 0 JEAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4CCc5ccccc5C4)nc(C)n3n2)cc1 ZINC000021807959 195324032 /nfs/dbraw/zinc/32/40/32/195324032.db2.gz AHNYCJIMZGMRLJ-UHFFFAOYSA-N 1 1 486.576 2.440 50 0 JEAAMO C[N@@H+](CCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)Cc1ccccc1 ZINC000021944382 195340048 /nfs/dbraw/zinc/34/00/48/195340048.db2.gz ZBIAPFPSWICOFY-UHFFFAOYSA-N 1 1 456.546 2.460 50 0 JEAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 ZINC000058048989 195363466 /nfs/dbraw/zinc/36/34/66/195363466.db2.gz ZKOLQRWYSSSLCD-AWEZNQCLSA-N 1 1 464.415 2.476 50 0 JEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)c1C ZINC000058078314 195363815 /nfs/dbraw/zinc/36/38/15/195363815.db2.gz AWVLUCGTAQWIAS-UHFFFAOYSA-N 1 1 472.593 2.443 50 0 JEAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCN2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974765 519440110 /nfs/dbraw/zinc/44/01/10/519440110.db2.gz WEDSWFZXXTUSRL-NRFANRHFSA-N 1 1 464.676 2.182 50 0 JEAAMO CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000036310819 519578024 /nfs/dbraw/zinc/57/80/24/519578024.db2.gz SZOMAOFCIVBNML-JOCHJYFZSA-N 1 1 459.566 2.225 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945198 519838433 /nfs/dbraw/zinc/83/84/33/519838433.db2.gz RKFZAPBSFRPTGS-UHFFFAOYSA-N 1 1 450.649 2.109 50 0 JEAAMO CC(C)c1ccc(S(=O)(=O)N(CCN2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974761 519838462 /nfs/dbraw/zinc/83/84/62/519838462.db2.gz WAMWSPBOLUALNZ-FQEVSTJZSA-N 1 1 450.649 2.107 50 0 JEAAMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Cn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000004792728 520406665 /nfs/dbraw/zinc/40/66/65/520406665.db2.gz GOJBLVPGPHXPID-UHFFFAOYSA-N 1 1 468.554 2.217 50 0 JEAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000045945549 521190908 /nfs/dbraw/zinc/19/09/08/521190908.db2.gz NXURTCLVHIZURC-SFTDATJTSA-N 1 1 480.675 2.161 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)CC1 ZINC000020417588 521680822 /nfs/dbraw/zinc/68/08/22/521680822.db2.gz OLNNYNKOCRUBLR-UHFFFAOYSA-N 1 1 482.604 2.146 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000020455317 522016772 /nfs/dbraw/zinc/01/67/72/522016772.db2.gz OYYATGVLLXUFMA-UHFFFAOYSA-N 1 1 488.548 2.427 50 0 JEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000014983972 522824538 /nfs/dbraw/zinc/82/45/38/522824538.db2.gz DWYJIEYHMPFPGK-UHFFFAOYSA-N 1 1 497.571 2.403 50 0 JEAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nn3c(nc4c(c3=O)CCCC4)s2)C1)Cc1ccccc1 ZINC000021664014 522856686 /nfs/dbraw/zinc/85/66/86/522856686.db2.gz CRODOKUWHKTJBP-LJQANCHMSA-N 1 1 480.638 2.494 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)Cc3ccccc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014958995 523316790 /nfs/dbraw/zinc/31/67/90/523316790.db2.gz DWIWKKDLRFQSJH-XMMPIXPASA-N 1 1 464.610 2.163 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014995320 523317514 /nfs/dbraw/zinc/31/75/14/523317514.db2.gz ADQXWPJPJGPSAC-QHCPKHFHSA-N 1 1 468.573 2.373 50 0 JEAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014995323 523318136 /nfs/dbraw/zinc/31/81/36/523318136.db2.gz ADQXWPJPJGPSAC-HSZRJFAPSA-N 1 1 468.573 2.373 50 0 JEAAMO COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([N@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000014996564 523691543 /nfs/dbraw/zinc/69/15/43/523691543.db2.gz XWCIKNDQSYEKHM-QHCPKHFHSA-N 1 1 451.571 2.143 50 0 JEAAMO C[NH+]1CCN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000019800507 523874511 /nfs/dbraw/zinc/87/45/11/523874511.db2.gz GLPZOXLIJSZTFI-UHFFFAOYSA-N 1 1 452.374 2.418 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)CC1 ZINC000033260163 523897366 /nfs/dbraw/zinc/89/73/66/523897366.db2.gz RCPWICBUNKJHRD-UHFFFAOYSA-N 1 1 497.047 2.415 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000014996228 524040004 /nfs/dbraw/zinc/04/00/04/524040004.db2.gz BUFMTOITERSITF-GCJKJVERSA-N 1 1 457.575 2.203 50 0 JEAAMO COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)C[N@@H+](Cc3ccncc3)C2)cc1OC ZINC000014742472 524063039 /nfs/dbraw/zinc/06/30/39/524063039.db2.gz FHORFCYEKQHZNE-DHIUTWEWSA-N 1 1 468.598 2.186 50 0 JEAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(n4nnc(-c5ccc(OC)c(OC)c5)n4)CC3)C2=O)cc1 ZINC000025174577 524392614 /nfs/dbraw/zinc/39/26/14/524392614.db2.gz CAHMQNPFCVUHMK-FQEVSTJZSA-N 1 1 492.536 2.335 50 0 JEAAMO COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 ZINC000033121066 524878961 /nfs/dbraw/zinc/87/89/61/524878961.db2.gz ZWIMIUADFHKDGC-UHFFFAOYSA-N 1 1 462.572 2.052 50 0 JEAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000023248978 525143015 /nfs/dbraw/zinc/14/30/15/525143015.db2.gz MCJITJYBQXKARL-SANMLTNESA-N 1 1 463.582 2.087 50 0 JEAAMO Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000045974543 525329106 /nfs/dbraw/zinc/32/91/06/525329106.db2.gz AMYNSDSBYJKMMW-UHFFFAOYSA-N 1 1 470.639 2.082 50 0 JEAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCC([N@@H+](C)CCCN2CCOCC2)CC1 ZINC000033265833 525536225 /nfs/dbraw/zinc/53/62/25/525536225.db2.gz PHZNHDYNMYJMMO-UHFFFAOYSA-N 1 1 467.614 2.443 50 0 JEAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCC([N@H+](C)CCCN4CCOCC4)CC3)n[nH]c1-2 ZINC000033265833 525536230 /nfs/dbraw/zinc/53/62/30/525536230.db2.gz PHZNHDYNMYJMMO-UHFFFAOYSA-N 1 1 467.614 2.443 50 0 JEAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCC([N@@H+](C)CCCN4CCOCC4)CC3)n[nH]c1-2 ZINC000033265833 525536240 /nfs/dbraw/zinc/53/62/40/525536240.db2.gz PHZNHDYNMYJMMO-UHFFFAOYSA-N 1 1 467.614 2.443 50 0 JEAAMO Cc1c(N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258776 525823285 /nfs/dbraw/zinc/82/32/85/525823285.db2.gz LEJLAKVUHFMOPL-UHFFFAOYSA-N 1 1 489.620 2.309 50 0 JEAAMO Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)n21 ZINC000020464837 526146899 /nfs/dbraw/zinc/14/68/99/526146899.db2.gz FVHSEBOJHUDZME-UHFFFAOYSA-N 1 1 472.593 2.282 50 0 JEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000035457779 526246750 /nfs/dbraw/zinc/24/67/50/526246750.db2.gz DXNRINMSPIUKRS-FQEVSTJZSA-N 1 1 486.661 2.092 50 0 JEAAMO O=C(C1CCN(c2nnc(N3CCCC3=O)s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020466484 526308554 /nfs/dbraw/zinc/30/85/54/526308554.db2.gz DKFDRSABUXIRFM-UHFFFAOYSA-N 1 1 454.600 2.226 50 0 JEAAMO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccc(F)c3F)CC2)C1=O ZINC000014748641 526881360 /nfs/dbraw/zinc/88/13/60/526881360.db2.gz JXKQYMAZLSTQIB-UHFFFAOYSA-N 1 1 456.493 2.292 50 0 JEAAMO Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc21 ZINC000021533163 527132238 /nfs/dbraw/zinc/13/22/38/527132238.db2.gz FCXPPBFSPMTNJU-UHFFFAOYSA-N 1 1 491.640 2.312 50 0 JEAAMO 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CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000036393416 569774651 /nfs/dbraw/zinc/77/46/51/569774651.db2.gz AQFOQVRXHBXXCJ-UHFFFAOYSA-N 1 1 463.531 2.283 50 0 JEAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000105003482 569849378 /nfs/dbraw/zinc/84/93/78/569849378.db2.gz MQDFZZBUWCNJEJ-AZUAARDMSA-N 1 1 478.611 2.217 50 0 JEAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000105003482 569849380 /nfs/dbraw/zinc/84/93/80/569849380.db2.gz MQDFZZBUWCNJEJ-AZUAARDMSA-N 1 1 478.611 2.217 50 0 JEAAMO OC[C@H](c1ccc2c(c1)OCO2)[N@@H+](CCc1nnc2ccccn21)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000106177366 569853835 /nfs/dbraw/zinc/85/38/35/569853835.db2.gz WXKPJYMZBOBKQH-UXHICEINSA-N 1 1 490.516 2.498 50 0 JEAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000227083175 570039845 /nfs/dbraw/zinc/03/98/45/570039845.db2.gz QMQYCPZNPNJDTN-MPWBWRNSSA-N 1 1 479.508 2.312 50 0 JEAAMO 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O[C@@H](COc1ccc2c(c1)CCC2)CN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022942622 527661234 /nfs/dbraw/zinc/66/12/34/527661234.db2.gz ATQXEYLKEGRIMQ-CLJLJLNGSA-N 1 1 466.622 2.461 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3ccc(C)cc3c(=O)n(-c3ccc(OC)cc3)c2=O)CC1 ZINC000096318342 535630552 /nfs/dbraw/zinc/63/05/52/535630552.db2.gz KFOLWYAARQRDRH-GOSISDBHSA-N 1 1 450.539 2.195 50 0 JEAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000002216886 554098211 /nfs/dbraw/zinc/09/82/11/554098211.db2.gz CWHZXTRYYURTCJ-JTQLQIEISA-N 1 1 451.321 2.241 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008812733 554694407 /nfs/dbraw/zinc/69/44/07/554694407.db2.gz QEQRRRJFZMOOBM-HDICACEKSA-N 1 1 494.683 2.289 50 0 JEAAMO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1cccs1 ZINC000009548768 555345700 /nfs/dbraw/zinc/34/57/00/555345700.db2.gz XEQMKYLFGBVOBX-UHFFFAOYSA-N 1 1 479.624 2.264 50 0 JEAAMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Cc1cccs1 ZINC000009548768 555345703 /nfs/dbraw/zinc/34/57/03/555345703.db2.gz XEQMKYLFGBVOBX-UHFFFAOYSA-N 1 1 479.624 2.264 50 0 JEAAMO CN(C)[C@H](CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1)c1ccco1 ZINC000009595060 555411654 /nfs/dbraw/zinc/41/16/54/555411654.db2.gz BRUKGWFIXJVMSZ-VQTJNVASSA-N 1 1 474.583 2.487 50 0 JEAAMO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@H+](Cc1cnn(C)c1C)CC2 ZINC000019839561 555508219 /nfs/dbraw/zinc/50/82/19/555508219.db2.gz JILOMZKYKIYKMF-UHFFFAOYSA-N 1 1 456.568 2.418 50 0 JEAAMO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000019839561 555508221 /nfs/dbraw/zinc/50/82/21/555508221.db2.gz JILOMZKYKIYKMF-UHFFFAOYSA-N 1 1 456.568 2.418 50 0 JEAAMO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000019928995 555545453 /nfs/dbraw/zinc/54/54/53/555545453.db2.gz OVYWSRJKGZKDPQ-UHFFFAOYSA-N 1 1 451.976 2.314 50 0 JEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)C1 ZINC000009856475 555557266 /nfs/dbraw/zinc/55/72/66/555557266.db2.gz YLHPLSFLAGDBCL-HDICACEKSA-N 1 1 492.642 2.016 50 0 JEAAMO CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010022510 555598372 /nfs/dbraw/zinc/59/83/72/555598372.db2.gz UXOIYPONZKDDEM-NRFANRHFSA-N 1 1 478.597 2.332 50 0 JEAAMO CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1c1cccn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010022510 555598376 /nfs/dbraw/zinc/59/83/76/555598376.db2.gz UXOIYPONZKDDEM-NRFANRHFSA-N 1 1 478.597 2.332 50 0 JEAAMO CCOc1ccc(C[N@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000020118427 555654830 /nfs/dbraw/zinc/65/48/30/555654830.db2.gz SVIKGNFHSXHMFJ-UHFFFAOYSA-N 1 1 479.581 2.331 50 0 JEAAMO CCOc1ccc(C[N@@H+]2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000020118427 555654834 /nfs/dbraw/zinc/65/48/34/555654834.db2.gz SVIKGNFHSXHMFJ-UHFFFAOYSA-N 1 1 479.581 2.331 50 0 JEAAMO O=c1[nH]c(CN(CCC[NH+]2CCOCC2)Cc2nc3ccsc3c(=O)[nH]2)nc2ccsc21 ZINC000014128740 555697677 /nfs/dbraw/zinc/69/76/77/555697677.db2.gz CHNCIJSVPBXIKX-UHFFFAOYSA-N 1 1 472.596 2.419 50 0 JEAAMO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCOCC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216340 555712395 /nfs/dbraw/zinc/71/23/95/555712395.db2.gz ZQOJOLJEXKNJJJ-UHFFFAOYSA-N 1 1 475.549 2.338 50 0 JEAAMO CCc1ccc([C@@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2cccc(F)c2)cc1 ZINC000014183597 555725110 /nfs/dbraw/zinc/72/51/10/555725110.db2.gz FXRHYYQUKRZHDC-HHHXNRCGSA-N 1 1 482.600 2.070 50 0 JEAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014184275 555725370 /nfs/dbraw/zinc/72/53/70/555725370.db2.gz JERXIAWSBQTJMO-OAHLLOKOSA-N 1 1 497.543 2.238 50 0 JEAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014184275 555725373 /nfs/dbraw/zinc/72/53/73/555725373.db2.gz JERXIAWSBQTJMO-OAHLLOKOSA-N 1 1 497.543 2.238 50 0 JEAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014202064 555733591 /nfs/dbraw/zinc/73/35/91/555733591.db2.gz RJGQLDAYBYWYNX-INIZCTEOSA-N 1 1 457.021 2.410 50 0 JEAAMO CCS(=O)(=O)Nc1cc2nc(-c3ccccc3)n(C)c2c(C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000011789677 555824628 /nfs/dbraw/zinc/82/46/28/555824628.db2.gz UBJUQJUKHPRXLW-UHFFFAOYSA-N 1 1 485.610 2.406 50 0 JEAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014536629 555825759 /nfs/dbraw/zinc/82/57/59/555825759.db2.gz QGLYPZLQSIVTKX-XZOQPEGZSA-N 1 1 482.600 2.393 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)c1ccc(C(C)=O)s1)CC2 ZINC000014539394 555829370 /nfs/dbraw/zinc/82/93/70/555829370.db2.gz OALUUQINNWYYMX-QGZVFWFLSA-N 1 1 487.626 2.206 50 0 JEAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014999476 555844047 /nfs/dbraw/zinc/84/40/47/555844047.db2.gz FHBKWZWYFUAPHQ-QGZVFWFLSA-N 1 1 451.527 2.309 50 0 JEAAMO Cc1nonc1CNC(=O)c1c(=O)cc(C)n(CCC[NH+]2CCOCC2)c1Cc1cccc(F)c1 ZINC000015004982 555849913 /nfs/dbraw/zinc/84/99/13/555849913.db2.gz WIBBSNQUYHCCQR-UHFFFAOYSA-N 1 1 483.544 2.230 50 0 JEAAMO CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C1=O ZINC000011997976 555880350 /nfs/dbraw/zinc/88/03/50/555880350.db2.gz KIFVATJFPVSQMF-GOSISDBHSA-N 1 1 481.596 2.098 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022239973 555895060 /nfs/dbraw/zinc/89/50/60/555895060.db2.gz DBHAPBNXNUKHSE-UHFFFAOYSA-N 1 1 467.607 2.378 50 0 JEAAMO CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015680918 555949861 /nfs/dbraw/zinc/94/98/61/555949861.db2.gz XLWVDZNHLPRSAO-HSZRJFAPSA-N 1 1 462.660 2.240 50 0 JEAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022925400 555977373 /nfs/dbraw/zinc/97/73/73/555977373.db2.gz BEFFDNMSDJHJEI-OAHLLOKOSA-N 1 1 454.596 2.415 50 0 JEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OC)c(C)c2OC)CC3)o1 ZINC000023130151 556019213 /nfs/dbraw/zinc/01/92/13/556019213.db2.gz CUSQOPTVLDBZGI-UHFFFAOYSA-N 1 1 469.542 2.331 50 0 JEAAMO CC(=O)Nc1ccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015864143 556038887 /nfs/dbraw/zinc/03/88/87/556038887.db2.gz HBSGCFVGEVXGAB-UHFFFAOYSA-N 1 1 477.609 2.184 50 0 JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016009795 556108521 /nfs/dbraw/zinc/10/85/21/556108521.db2.gz CQMXSNBQIVWRQK-SAQZZPNQSA-N 1 1 487.343 2.098 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000016025554 556116427 /nfs/dbraw/zinc/11/64/27/556116427.db2.gz VUIIPJCPWZTCIA-JXPGZLFOSA-N 1 1 474.561 2.446 50 0 biogenic JEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016033760 556117996 /nfs/dbraw/zinc/11/79/96/556117996.db2.gz BDQOOIWUMIKDSI-SAQZZPNQSA-N 1 1 487.343 2.098 50 0 JEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016033761 556118117 /nfs/dbraw/zinc/11/81/17/556118117.db2.gz BDQOOIWUMIKDSI-VGHKVXAASA-N 1 1 487.343 2.098 50 0 JEAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016042999 556122525 /nfs/dbraw/zinc/12/25/25/556122525.db2.gz YAINMRPRKATJFM-IMIIHFCZSA-N 1 1 459.502 2.458 50 0 biogenic JEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973891 556165730 /nfs/dbraw/zinc/16/57/30/556165730.db2.gz IPIKQZAKCBJNOY-OXJNMPFZSA-N 1 1 459.568 2.462 50 0 JEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973891 556165732 /nfs/dbraw/zinc/16/57/32/556165732.db2.gz IPIKQZAKCBJNOY-OXJNMPFZSA-N 1 1 459.568 2.462 50 0 JEAAMO Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)N1CC[NH+](Cc3cccc(C)c3)CC1)C2=O ZINC000025085232 556179131 /nfs/dbraw/zinc/17/91/31/556179131.db2.gz SXLQLIWRBPDFAY-UHFFFAOYSA-N 1 1 463.534 2.177 50 0 JEAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 ZINC000016948947 556183473 /nfs/dbraw/zinc/18/34/73/556183473.db2.gz BJYRRMOODSIDTH-SFHVURJKSA-N 1 1 465.539 2.329 50 0 JEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C[C@@H](C)O1 ZINC000025148476 556187445 /nfs/dbraw/zinc/18/74/45/556187445.db2.gz BYHHOXMUOCNPFS-HUUCEWRRSA-N 1 1 483.539 2.364 50 0 JEAAMO COCCCN(C(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013032142 556230588 /nfs/dbraw/zinc/23/05/88/556230588.db2.gz MJXORZRKLCZFAX-IBGZPJMESA-N 1 1 497.621 2.435 50 0 JEAAMO CC1CCN(CN2C(=O)N(CN3C(=O)N(C[NH+]4CCC(C)CC4)C(=O)C3(C)C)C(C)(C)C2=O)CC1 ZINC000027573083 556299505 /nfs/dbraw/zinc/29/95/05/556299505.db2.gz NKQQAIWYAIVNHQ-UHFFFAOYSA-N 1 1 490.649 2.408 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220115 556312929 /nfs/dbraw/zinc/31/29/29/556312929.db2.gz XUDCJMPXUNYWAN-QHCPKHFHSA-N 1 1 482.556 2.436 50 0 JEAAMO Cc1ccc([C@H](C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)N(C)C)cc1 ZINC000019819013 556387044 /nfs/dbraw/zinc/38/70/44/556387044.db2.gz BPSUARILJRTBBX-FKBYEOEOSA-N 1 1 450.626 2.135 50 0 JEAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1 ZINC000032666631 556467123 /nfs/dbraw/zinc/46/71/23/556467123.db2.gz WWEJWGMYZKLHMC-SFHVURJKSA-N 1 1 459.568 2.221 50 0 JEAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032870789 556517838 /nfs/dbraw/zinc/51/78/38/556517838.db2.gz AVGWMXOEZKDHBW-LJQANCHMSA-N 1 1 468.510 2.365 50 0 JEAAMO O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000032934740 556549901 /nfs/dbraw/zinc/54/99/01/556549901.db2.gz JRLUCRHXFKWQBC-UHFFFAOYSA-N 1 1 490.670 2.043 50 0 JEAAMO CCCC[N@@H+](CC)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000008595115 562943725 /nfs/dbraw/zinc/94/37/25/562943725.db2.gz IBUIGCIDUUMZMI-UHFFFAOYSA-N 1 1 453.634 2.330 50 0 JEAAMO COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3C)nc1-2 ZINC000019792555 563015256 /nfs/dbraw/zinc/01/52/56/563015256.db2.gz ZUACAFJXARABFM-UHFFFAOYSA-N 1 1 462.554 2.197 50 0 JEAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(n4nnc(-c5ccc(OC)c(OC)c5)n4)CC3)C2=O)cc1 ZINC000008694563 569593188 /nfs/dbraw/zinc/59/31/88/569593188.db2.gz CAHMQNPFCVUHMK-HXUWFJFHSA-N 1 1 492.536 2.335 50 0 JEAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000057121193 569594562 /nfs/dbraw/zinc/59/45/62/569594562.db2.gz LDDONVOZWGKZGG-RBMQBQHJSA-N 1 1 472.929 2.305 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)CC2)cc1 ZINC000057289961 569595614 /nfs/dbraw/zinc/59/56/14/569595614.db2.gz IXGSKEROSHQXSS-HXUWFJFHSA-N 1 1 493.651 2.271 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](Cc3cccs3)C[C@H]3CCCO3)CC2)cc1 ZINC000057289961 569595616 /nfs/dbraw/zinc/59/56/16/569595616.db2.gz IXGSKEROSHQXSS-HXUWFJFHSA-N 1 1 493.651 2.271 50 0 JEAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1)N1CCCC1 ZINC000008727519 569601102 /nfs/dbraw/zinc/60/11/02/569601102.db2.gz GXRCPDRFLYEIQO-IBGZPJMESA-N 1 1 455.628 2.242 50 0 JEAAMO Cn1c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836158 569636689 /nfs/dbraw/zinc/63/66/89/569636689.db2.gz SMBHADSBUOYORH-UHFFFAOYSA-N 1 1 462.598 2.197 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC000065113864 569665179 /nfs/dbraw/zinc/66/51/79/569665179.db2.gz IKMHQZVDDQKYHD-GOSISDBHSA-N 1 1 461.588 2.371 50 0 JEAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000035401433 569690851 /nfs/dbraw/zinc/69/08/51/569690851.db2.gz YIXQDYLBNNOTTO-UHFFFAOYSA-N 1 1 484.666 2.472 50 0 JEAAMO CCc1nnc2n1C[C@H](C[NH+](CC(=O)N(C)Cc1ccco1)CC(=O)N(C)Cc1ccco1)CC2 ZINC000069665101 569693709 /nfs/dbraw/zinc/69/37/09/569693709.db2.gz BKVRMUUZBBGMDU-IBGZPJMESA-N 1 1 482.585 2.208 50 0 JEAAMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)ccc1F ZINC000069926881 569693897 /nfs/dbraw/zinc/69/38/97/569693897.db2.gz LLEHXCBWFWVXDX-UHFFFAOYSA-N 1 1 483.475 2.424 50 0 JEAAMO Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000070011231 569694796 /nfs/dbraw/zinc/69/47/96/569694796.db2.gz VNHSMCRWXPOFHN-UHFFFAOYSA-N 1 1 467.501 2.144 50 0 JEAAMO C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CC(=O)N4CC[NH+](C)CC4)c3)cc2F)C[C@H](C)O1 ZINC000072274000 569701509 /nfs/dbraw/zinc/70/15/09/569701509.db2.gz OYXLPDCPZOHFRF-IRXDYDNUSA-N 1 1 473.553 2.054 50 0 JEAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4CCc5ccccc5C4)ncn3n2)cc1 ZINC000035538425 569702248 /nfs/dbraw/zinc/70/22/48/569702248.db2.gz MNGNMCHEISGVOX-UHFFFAOYSA-N 1 1 472.549 2.131 50 0 JEAAMO O=c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(c3ccccc3)CC2)c1O ZINC000085876291 569715918 /nfs/dbraw/zinc/71/59/18/569715918.db2.gz YQFGMWJPCOERGA-RTWAWAEBSA-N 1 1 488.588 2.449 50 0 biogenic JEAAMO 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CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC[N@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000245225098 570054874 /nfs/dbraw/zinc/05/48/74/570054874.db2.gz MONODNKMOZLKNB-RTBURBONSA-N 1 1 464.632 2.061 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245311914 570063611 /nfs/dbraw/zinc/06/36/11/570063611.db2.gz QQFRMODHHSIURK-LSTHTHJFSA-N 1 1 464.657 2.290 50 0 JEAAMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000245318922 570064115 /nfs/dbraw/zinc/06/41/15/570064115.db2.gz XMLXGBKNGMFWHC-ANAFOTAVSA-N 1 1 475.545 2.288 50 0 JEAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CC[N@@H+](CCO)C[C@H]43)C2=O)cc1 ZINC000248322467 570077569 /nfs/dbraw/zinc/07/75/69/570077569.db2.gz WKASDSXNYOGNGL-OZXSUGGESA-N 1 1 462.550 2.311 50 0 JEAAMO CCN(C(=O)C[N@H+](C)Cc1ccc(SC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003587043 194339680 /nfs/dbraw/zinc/33/96/80/194339680.db2.gz GXNWDDXRFHKMCA-UHFFFAOYSA-N 1 1 467.595 2.374 50 0 JEAAMO 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COc1ccc(CN2C[C@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000020724466 195206834 /nfs/dbraw/zinc/20/68/34/195206834.db2.gz QSNIFEDDCQWMSR-XMMPIXPASA-N 1 1 464.610 2.368 50 0 JEAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020663943 195197032 /nfs/dbraw/zinc/19/70/32/195197032.db2.gz HPFAOJKNLPAEBE-UHFFFAOYSA-N 1 1 490.395 2.109 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc32)CC1 ZINC000020804961 195228447 /nfs/dbraw/zinc/22/84/47/195228447.db2.gz NYSLQDLVBWYPDK-UHFFFAOYSA-N 1 1 479.581 2.160 50 0 JEAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000020907097 195245524 /nfs/dbraw/zinc/24/55/24/195245524.db2.gz BCCADOPURWPHIY-UHFFFAOYSA-N 1 1 451.502 2.235 50 0 JEAAMO O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCCC[NH+]1CCOCC1 ZINC000020937377 195253700 /nfs/dbraw/zinc/25/37/00/195253700.db2.gz SYOLCJFKGIZQLX-UHFFFAOYSA-N 1 1 476.643 2.435 50 0 JEAAMO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020944049 195256423 /nfs/dbraw/zinc/25/64/23/195256423.db2.gz OMYZLDFQKJFPBC-UHFFFAOYSA-N 1 1 452.603 2.033 50 0 JEAAMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(Cc2noc(CCC(=O)N(C)C3CCCCC3)n2)CC1 ZINC000020936419 195253109 /nfs/dbraw/zinc/25/31/09/195253109.db2.gz MZBVVUSGCRUJKJ-LJQANCHMSA-N 1 1 485.633 2.279 50 0 JEAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)ncn3n2)cc1 ZINC000021017768 195266882 /nfs/dbraw/zinc/26/68/82/195266882.db2.gz KDUORXCPXUCNIH-UHFFFAOYSA-N 1 1 456.550 2.465 50 0 JEAAMO O=C(CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000021534336 195310511 /nfs/dbraw/zinc/31/05/11/195310511.db2.gz BGWKNMWCYBLANV-UHFFFAOYSA-N 1 1 476.668 2.225 50 0 JEAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000058440369 195379683 /nfs/dbraw/zinc/37/96/83/195379683.db2.gz XCEVZYZSJHIDOT-LJQANCHMSA-N 1 1 480.631 2.144 50 0 JEAAMO CCc1nn(CC(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n21 ZINC000058078391 195363999 /nfs/dbraw/zinc/36/39/99/195363999.db2.gz QGMDVWXLLFJIKC-UHFFFAOYSA-N 1 1 476.581 2.360 50 0 JEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)c12 ZINC000058087299 195364374 /nfs/dbraw/zinc/36/43/74/195364374.db2.gz DWIIQIIIUCOEFY-FUHWJXTLSA-N 1 1 459.616 2.437 50 0 JEAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000058157271 195367398 /nfs/dbraw/zinc/36/73/98/195367398.db2.gz XROFNWYYUJOBFW-HXUWFJFHSA-N 1 1 451.589 2.106 50 0 JEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000022780970 518728330 /nfs/dbraw/zinc/72/83/30/518728330.db2.gz MYOASVCCTALVEW-UHFFFAOYSA-N 1 1 479.625 2.478 50 0 JEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000022780970 518728338 /nfs/dbraw/zinc/72/83/38/518728338.db2.gz MYOASVCCTALVEW-UHFFFAOYSA-N 1 1 479.625 2.478 50 0 JEAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)cc1 ZINC000045945328 519441483 /nfs/dbraw/zinc/44/14/83/519441483.db2.gz KJKPEYVYLMSDPH-UHFFFAOYSA-N 1 1 464.676 2.184 50 0 JEAAMO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000021650374 519702042 /nfs/dbraw/zinc/70/20/42/519702042.db2.gz GKOOQSCCPJLOEH-UHFFFAOYSA-N 1 1 468.602 2.194 50 0 JEAAMO CCCC(=O)OC[C@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156785 519881125 /nfs/dbraw/zinc/88/11/25/519881125.db2.gz PNICPBLTUBEHJF-OAHLLOKOSA-N 1 1 451.589 2.406 50 0 JEAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156785 519881127 /nfs/dbraw/zinc/88/11/27/519881127.db2.gz PNICPBLTUBEHJF-OAHLLOKOSA-N 1 1 451.589 2.406 50 0 JEAAMO CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000022819490 520483360 /nfs/dbraw/zinc/48/33/60/520483360.db2.gz YBOCJJDCJDLXNP-IYYMRFBLSA-N 1 1 498.630 2.205 50 0 JEAAMO CCCCN1C(=O)c2cc(C(=O)N3CC[NH+](CCC)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878100 520563867 /nfs/dbraw/zinc/56/38/67/520563867.db2.gz MQIHZGJIUKJYFW-VWLOTQADSA-N 1 1 472.634 2.124 50 0 JEAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966754 521653793 /nfs/dbraw/zinc/65/37/93/521653793.db2.gz HNIHGUMIQHSUIK-IBGZPJMESA-N 1 1 451.409 2.198 50 0 JEAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966754 521653795 /nfs/dbraw/zinc/65/37/95/521653795.db2.gz HNIHGUMIQHSUIK-IBGZPJMESA-N 1 1 451.409 2.198 50 0 JEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)C3CCN(c4nn5c(nc(C)cc5=O)s4)CC3)cc2)CC1 ZINC000020416609 521687871 /nfs/dbraw/zinc/68/78/71/521687871.db2.gz ATXNMOXXDGERIL-UHFFFAOYSA-N 1 1 495.653 2.452 50 0 JEAAMO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@H+](Cc1cn(C)nc1C)CC2 ZINC000020449096 521778612 /nfs/dbraw/zinc/77/86/12/521778612.db2.gz CPORFBAEKYJLRR-UHFFFAOYSA-N 1 1 456.568 2.418 50 0 JEAAMO COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CC[N@@H+](Cc1cn(C)nc1C)CC2 ZINC000020449096 521778620 /nfs/dbraw/zinc/77/86/20/521778620.db2.gz CPORFBAEKYJLRR-UHFFFAOYSA-N 1 1 456.568 2.418 50 0 JEAAMO 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CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012158550 555929238 /nfs/dbraw/zinc/92/92/38/555929238.db2.gz PHMZRJAVICTIRZ-RUZDIDTESA-N 1 1 483.519 2.448 50 0 JEAAMO COc1ccccc1[C@H]1NC2=NCN(CCC[NH+]3CCOCC3)CN2c2nc3ccccc3n21 ZINC000012322049 555952025 /nfs/dbraw/zinc/95/20/25/555952025.db2.gz JKDLLXMVDBXVTH-QHCPKHFHSA-N 1 1 461.570 2.310 50 0 JEAAMO CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000015722431 555957388 /nfs/dbraw/zinc/95/73/88/555957388.db2.gz BQGHRVWJEBCESE-UHFFFAOYSA-N 1 1 476.643 2.291 50 0 JEAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)n2)cc1OC ZINC000015726085 555962974 /nfs/dbraw/zinc/96/29/74/555962974.db2.gz MRYPOQXTKRNJFR-LJQANCHMSA-N 1 1 493.568 2.105 50 0 JEAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)n2)cc1OC ZINC000015726085 555962976 /nfs/dbraw/zinc/96/29/76/555962976.db2.gz MRYPOQXTKRNJFR-LJQANCHMSA-N 1 1 493.568 2.105 50 0 JEAAMO C[C@@H]1CSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)CCCN4CCOCC4)CC3)cc2NC1=O ZINC000015731130 555973967 /nfs/dbraw/zinc/97/39/67/555973967.db2.gz AURMMCVLQRIRDO-GOSISDBHSA-N 1 1 496.699 2.174 50 0 JEAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000023193875 556030170 /nfs/dbraw/zinc/03/01/70/556030170.db2.gz IMKDGRSFPVCWGN-UHFFFAOYSA-N 1 1 470.639 2.334 50 0 JEAAMO CCc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000015868815 556046831 /nfs/dbraw/zinc/04/68/31/556046831.db2.gz ZQABISHJGJZEIA-UHFFFAOYSA-N 1 1 486.059 2.328 50 0 JEAAMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000015868926 556047617 /nfs/dbraw/zinc/04/76/17/556047617.db2.gz HXVBGOGKXNQMCP-SFHVURJKSA-N 1 1 486.059 2.369 50 0 JEAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015956827 556088836 /nfs/dbraw/zinc/08/88/36/556088836.db2.gz JOYCKYFTBWLRKL-GDNALLQQSA-N 1 1 459.502 2.451 50 0 biogenic JEAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4Cl)C(=O)[C@H]31)C(=O)N2 ZINC000016012785 556111746 /nfs/dbraw/zinc/11/17/46/556111746.db2.gz REEZZPMNYMBZSP-SAQZZPNQSA-N 1 1 487.343 2.098 50 0 JEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973890 556165759 /nfs/dbraw/zinc/16/57/59/556165759.db2.gz IPIKQZAKCBJNOY-OXQOHEQNSA-N 1 1 459.568 2.462 50 0 JEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973890 556165762 /nfs/dbraw/zinc/16/57/62/556165762.db2.gz IPIKQZAKCBJNOY-OXQOHEQNSA-N 1 1 459.568 2.462 50 0 JEAAMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H](c2ccccc2)C1 ZINC000026153309 556250461 /nfs/dbraw/zinc/25/04/61/556250461.db2.gz INRCNXQHAVBQKT-NHCUHLMSSA-N 1 1 476.668 2.254 50 0 JEAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000013095328 556287139 /nfs/dbraw/zinc/28/71/39/556287139.db2.gz FUSNOCBSEAWMDA-GOSISDBHSA-N 1 1 491.610 2.492 50 0 JEAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000013095328 556287142 /nfs/dbraw/zinc/28/71/42/556287142.db2.gz FUSNOCBSEAWMDA-GOSISDBHSA-N 1 1 491.610 2.492 50 0 JEAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)C3CCCCCC3)CC2)c1 ZINC000029166810 556348572 /nfs/dbraw/zinc/34/85/72/556348572.db2.gz JUSDMJCWJBXFJS-UHFFFAOYSA-N 1 1 453.605 2.191 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000019739619 556363569 /nfs/dbraw/zinc/36/35/69/556363569.db2.gz YHXALATZCUFKIW-IBGZPJMESA-N 1 1 497.592 2.176 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O ZINC000019740147 556364171 /nfs/dbraw/zinc/36/41/71/556364171.db2.gz MITRPKJJICJWJS-AJTFRIOCSA-N 1 1 479.577 2.244 50 0 JEAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2OC)C1=O ZINC000019740147 556364175 /nfs/dbraw/zinc/36/41/75/556364175.db2.gz MITRPKJJICJWJS-AJTFRIOCSA-N 1 1 479.577 2.244 50 0 JEAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000019743910 556365585 /nfs/dbraw/zinc/36/55/85/556365585.db2.gz FLWWBNOJSRDPPZ-UHFFFAOYSA-N 1 1 473.957 2.348 50 0 JEAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000019743910 556365586 /nfs/dbraw/zinc/36/55/86/556365586.db2.gz FLWWBNOJSRDPPZ-UHFFFAOYSA-N 1 1 473.957 2.348 50 0 JEAAMO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H]4C(=O)OC)c(OC)cc(=O)n3CC2)cc1 ZINC000019745596 556365939 /nfs/dbraw/zinc/36/59/39/556365939.db2.gz YSXAYMLXFPKTNY-NRFANRHFSA-N 1 1 467.566 2.255 50 0 JEAAMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C[C@@H]1COc2ccccc2O1 ZINC000031174186 556394060 /nfs/dbraw/zinc/39/40/60/556394060.db2.gz FKXLGIHYFBPUGZ-GOSISDBHSA-N 1 1 494.013 2.335 50 0 JEAAMO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C[C@@H]1COc2ccccc2O1 ZINC000031174186 556394064 /nfs/dbraw/zinc/39/40/64/556394064.db2.gz FKXLGIHYFBPUGZ-GOSISDBHSA-N 1 1 494.013 2.335 50 0 JEAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CN1CC[NH+](CCO)CC1 ZINC000019830897 556398063 /nfs/dbraw/zinc/39/80/63/556398063.db2.gz UYNUSFRRBOJRBS-UHFFFAOYSA-N 1 1 482.375 2.153 50 0 JEAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000032915608 556539399 /nfs/dbraw/zinc/53/93/99/556539399.db2.gz JAOZODLPHLGMKW-QFIPXVFZSA-N 1 1 488.629 2.290 50 0 JEAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595767 562944088 /nfs/dbraw/zinc/94/40/88/562944088.db2.gz XGFLDTDIKZKRTC-INIZCTEOSA-N 1 1 453.634 2.330 50 0 JEAAMO COc1ccccc1C[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000057211565 563206478 /nfs/dbraw/zinc/20/64/78/563206478.db2.gz DRZKTIUSIFEDEC-UHFFFAOYSA-N 1 1 453.948 2.098 50 0 JEAAMO COC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414591 569599996 /nfs/dbraw/zinc/59/99/96/569599996.db2.gz VWLHDVLHSADLQS-HSZRJFAPSA-N 1 1 450.539 2.294 50 0 JEAAMO Cc1nnc2ccc(N3CCC(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)CC3)nn12 ZINC000033009973 569616473 /nfs/dbraw/zinc/61/64/73/569616473.db2.gz DINMFSCLMBAJGJ-UHFFFAOYSA-N 1 1 480.592 2.117 50 0 JEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565643 569619157 /nfs/dbraw/zinc/61/91/57/569619157.db2.gz NAEXOLWBAMDJDQ-IBGZPJMESA-N 1 1 480.613 2.328 50 0 JEAAMO CC[C@@H](C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1)N1c2cc(C)nn2CCC1=O ZINC000064623276 569623710 /nfs/dbraw/zinc/62/37/10/569623710.db2.gz YRZURMBYHJRLBD-NRFANRHFSA-N 1 1 452.603 2.262 50 0 JEAAMO Cn1c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836160 569636658 /nfs/dbraw/zinc/63/66/58/569636658.db2.gz NFZRJMWQBHAOCF-UHFFFAOYSA-N 1 1 462.598 2.197 50 0 JEAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)CC1 ZINC000065086116 569660644 /nfs/dbraw/zinc/66/06/44/569660644.db2.gz SWQAFNVEGAVVIC-UHFFFAOYSA-N 1 1 478.615 2.130 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](CCOC)CC2)[C@H]1c1ccccc1 ZINC000034927903 569673114 /nfs/dbraw/zinc/67/31/14/569673114.db2.gz BSSOQQCJBAFZRQ-DNQXCXABSA-N 1 1 451.567 2.404 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000035365916 569682774 /nfs/dbraw/zinc/68/27/74/569682774.db2.gz VUIIPJCPWZTCIA-FFUSMKSVSA-N 1 1 474.561 2.446 50 0 biogenic JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4cccc(Br)c4)c(=O)c3s2)CC1 ZINC000067319305 569687109 /nfs/dbraw/zinc/68/71/09/569687109.db2.gz MLAYCNJXAKNTKP-UHFFFAOYSA-N 1 1 491.415 2.074 50 0 JEAAMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000069967626 569694355 /nfs/dbraw/zinc/69/43/55/569694355.db2.gz ULAWBBHOYCBZIX-SGNDLWITSA-N 1 1 451.567 2.401 50 0 JEAAMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000069967637 569694357 /nfs/dbraw/zinc/69/43/57/569694357.db2.gz ULAWBBHOYCBZIX-TZRRMPRUSA-N 1 1 451.567 2.401 50 0 JEAAMO Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)cc1 ZINC000069978532 569694459 /nfs/dbraw/zinc/69/44/59/569694459.db2.gz XCIXNQGLSWOCGV-JTHBVZDNSA-N 1 1 459.635 2.302 50 0 JEAAMO CC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000035445954 569695834 /nfs/dbraw/zinc/69/58/34/569695834.db2.gz MIUGIHLYJQQYDC-JOCHJYFZSA-N 1 1 467.614 2.182 50 0 JEAAMO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000071792461 569698502 /nfs/dbraw/zinc/69/85/02/569698502.db2.gz CLVODYMUIWMJCQ-ZEQRLZLVSA-N 1 1 450.583 2.296 50 0 JEAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCOCC3)n2Cc2ccccc2)c1 ZINC000035561364 569704346 /nfs/dbraw/zinc/70/43/46/569704346.db2.gz HJASWVVTOXKEEH-UHFFFAOYSA-N 1 1 484.622 2.392 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000085652146 569714245 /nfs/dbraw/zinc/71/42/45/569714245.db2.gz LIEKDPZXPBHOIT-GOSISDBHSA-N 1 1 487.582 2.276 50 0 JEAAMO COc1cc(OC)cc(C(=O)N2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000095549668 569727464 /nfs/dbraw/zinc/72/74/64/569727464.db2.gz LEYPFMKBWOYMPX-UHFFFAOYSA-N 1 1 466.586 2.044 50 0 JEAAMO CCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926625 569729935 /nfs/dbraw/zinc/72/99/35/569729935.db2.gz RRCGDFKAOYZFAD-UHFFFAOYSA-N 1 1 452.603 2.158 50 0 JEAAMO COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)C[C@H]3CCCO3)no2)c1 ZINC000036015328 569749091 /nfs/dbraw/zinc/74/90/91/569749091.db2.gz BOEMEEBXMFEPEZ-LJQANCHMSA-N 1 1 486.569 2.144 50 0 JEAAMO CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000036250390 569758346 /nfs/dbraw/zinc/75/83/46/569758346.db2.gz ZYLGWUPZEQYVOG-JOCHJYFZSA-N 1 1 461.006 2.347 50 0 JEAAMO O=C(/C=C/c1ccccc1)N1CCN([C@@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1 ZINC000036256043 569758740 /nfs/dbraw/zinc/75/87/40/569758740.db2.gz DWDONWSGMNHJTD-TYBKAHOSSA-N 1 1 468.642 2.241 50 0 JEAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000036342428 569765746 /nfs/dbraw/zinc/76/57/46/569765746.db2.gz NVEINSKVBASMKO-NRFANRHFSA-N 1 1 494.548 2.308 50 0 JEAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1C ZINC000036589744 569777141 /nfs/dbraw/zinc/77/71/41/569777141.db2.gz PPCHMKCHKYFAOI-IRLDBZIGSA-N 1 1 462.593 2.257 50 0 JEAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](CCc3nc(-c4cccs4)cs3)CC2)CC1 ZINC000036709034 569780231 /nfs/dbraw/zinc/78/02/31/569780231.db2.gz GUZVBHFUNIFWIM-UHFFFAOYSA-N 1 1 468.670 2.230 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)C2)cc1OC ZINC000037612075 569799293 /nfs/dbraw/zinc/79/92/93/569799293.db2.gz FJCBFRMKEWTOQH-QFIPXVFZSA-N 1 1 467.566 2.393 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)C2)cc1OC ZINC000037612075 569799295 /nfs/dbraw/zinc/79/92/95/569799295.db2.gz FJCBFRMKEWTOQH-QFIPXVFZSA-N 1 1 467.566 2.393 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)COc4ccccc4)CC3)C2)cc1OC ZINC000037613870 569799387 /nfs/dbraw/zinc/79/93/87/569799387.db2.gz WMTFJLXOAFBCPD-HSZRJFAPSA-N 1 1 497.592 2.158 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)COc4ccccc4)CC3)C2)cc1OC ZINC000037613870 569799389 /nfs/dbraw/zinc/79/93/89/569799389.db2.gz WMTFJLXOAFBCPD-HSZRJFAPSA-N 1 1 497.592 2.158 50 0 JEAAMO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](CC(=O)NC(C)C)C[C@H]12 ZINC000104915623 569846714 /nfs/dbraw/zinc/84/67/14/569846714.db2.gz VGSNDZNCNVBUSG-ISKFKSNPSA-N 1 1 464.610 2.242 50 0 JEAAMO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](CC(=O)NC(C)C)C[C@H]12 ZINC000104915623 569846716 /nfs/dbraw/zinc/84/67/16/569846716.db2.gz VGSNDZNCNVBUSG-ISKFKSNPSA-N 1 1 464.610 2.242 50 0 JEAAMO COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)OC(C)(C)OC2=O)cc1 ZINC000049708052 569850234 /nfs/dbraw/zinc/85/02/34/569850234.db2.gz CANLEWXPTZODFA-MOPGFXCFSA-N 1 1 466.534 2.341 50 0 biogenic JEAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105344608 569852888 /nfs/dbraw/zinc/85/28/88/569852888.db2.gz IHFQYUPHFZQLSY-IZYLUQCASA-N 1 1 457.889 2.089 50 0 JEAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000106615372 569854353 /nfs/dbraw/zinc/85/43/53/569854353.db2.gz HULNCYQQVATLIX-IIBYNOLFSA-N 1 1 475.542 2.150 50 0 JEAAMO COc1ccc(CN2C(=O)N[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000206228838 569874570 /nfs/dbraw/zinc/87/45/70/569874570.db2.gz RYUNVCWXJDAGCR-JOCHJYFZSA-N 1 1 450.539 2.240 50 0 JEAAMO COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000230137976 570045576 /nfs/dbraw/zinc/04/55/76/570045576.db2.gz NTYSCHYGOKXVTA-AHWVRZQESA-N 1 1 464.610 2.401 50 0 JEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000245245431 570058986 /nfs/dbraw/zinc/05/89/86/570058986.db2.gz LKINDXDWCQDAOQ-UEXGIBASSA-N 1 1 458.628 2.313 50 0 JEAAMO COc1cccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000245281368 570062277 /nfs/dbraw/zinc/06/22/77/570062277.db2.gz XVKGJZQDMDIDLA-AOYPEHQESA-N 1 1 464.610 2.401 50 0 JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1OC ZINC000334159533 570184565 /nfs/dbraw/zinc/18/45/65/570184565.db2.gz SZJRKITVRBMKNW-HBMCJLEFSA-N 1 1 486.613 2.328 50 0 JEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000003060337 194222214 /nfs/dbraw/zinc/22/22/14/194222214.db2.gz PEXSZGWRTQNDGM-UHFFFAOYSA-N 1 1 494.617 2.491 50 0 JEAAMO CN(C(=O)C[N@@H+](C)Cc1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009952941 195034940 /nfs/dbraw/zinc/03/49/40/195034940.db2.gz VVCHUTIVVXIWDI-UHFFFAOYSA-N 1 1 457.534 2.415 50 0 JEAAMO O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCCC[NH+]1CCOCC1 ZINC000012628933 195061186 /nfs/dbraw/zinc/06/11/86/195061186.db2.gz JLWCGBJECNIFOI-UHFFFAOYSA-N 1 1 455.555 2.102 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c(C)c1 ZINC000012821853 195149579 /nfs/dbraw/zinc/14/95/79/195149579.db2.gz UCYLIRKYBBOUCA-QFIPXVFZSA-N 1 1 465.660 2.486 50 0 JEAAMO CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000012891648 195173189 /nfs/dbraw/zinc/17/31/89/195173189.db2.gz XLTBXLQAKGJNBH-QZMQVMSPSA-N 1 1 484.597 2.495 50 0 biogenic JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CC[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000020909906 195245935 /nfs/dbraw/zinc/24/59/35/195245935.db2.gz GFKSZJFPHIAEJG-UHFFFAOYSA-N 1 1 455.584 2.291 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CC[N@H+](Cc1cnn(C)c1C)CC2 ZINC000020909906 195245936 /nfs/dbraw/zinc/24/59/36/195245936.db2.gz GFKSZJFPHIAEJG-UHFFFAOYSA-N 1 1 455.584 2.291 50 0 JEAAMO O=C(N1CCC([C@]2(Cc3ccccc3)NC(=O)NC2=O)CC1)C1([NH+]2CCOCC2)CCCCC1 ZINC000020916434 195246714 /nfs/dbraw/zinc/24/67/14/195246714.db2.gz PAYXRXHHORUYMR-SANMLTNESA-N 1 1 468.598 2.081 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000020915842 195246846 /nfs/dbraw/zinc/24/68/46/195246846.db2.gz COAWPCOOIFHZOV-UHFFFAOYSA-N 1 1 476.537 2.388 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000021022531 195267875 /nfs/dbraw/zinc/26/78/75/195267875.db2.gz HJXFOQIBKHQUFO-HSZRJFAPSA-N 1 1 476.643 2.129 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021021962 195267910 /nfs/dbraw/zinc/26/79/10/195267910.db2.gz VVSKLQVRNXNAPD-RUZDIDTESA-N 1 1 496.633 2.093 50 0 JEAAMO O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021026408 195269045 /nfs/dbraw/zinc/26/90/45/195269045.db2.gz RPDSJKJVLCGGNY-IBGZPJMESA-N 1 1 454.600 2.226 50 0 JEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021927290 195334599 /nfs/dbraw/zinc/33/45/99/195334599.db2.gz JVYKSULBYYFYGG-LJQANCHMSA-N 1 1 454.600 2.198 50 0 JEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H]3CCCN3c3nnc(N4CCCC4=O)s3)CC2)c1C ZINC000021927372 195334848 /nfs/dbraw/zinc/33/48/48/195334848.db2.gz LJSFUQUZMCVCRC-OAQYLSRUSA-N 1 1 497.669 2.189 50 0 JEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021927296 195334921 /nfs/dbraw/zinc/33/49/21/195334921.db2.gz JVYKSULBYYFYGG-IBGZPJMESA-N 1 1 454.600 2.198 50 0 JEAAMO Cc1ccc(-n2cnnc2SCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1Cl ZINC000058407028 195378884 /nfs/dbraw/zinc/37/88/84/195378884.db2.gz LSOXNUIJSZFOOQ-GOSISDBHSA-N 1 1 463.007 2.262 50 0 JEAAMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000058440367 195379516 /nfs/dbraw/zinc/37/95/16/195379516.db2.gz XCEVZYZSJHIDOT-IBGZPJMESA-N 1 1 480.631 2.144 50 0 JEAAMO Cc1cccc(N2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@@H]2C)c1 ZINC000058163300 195369790 /nfs/dbraw/zinc/36/97/90/195369790.db2.gz LKUGFSXMJNDWIL-NRFANRHFSA-N 1 1 456.612 2.039 50 0 JEAAMO Cc1cccc(N2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@@H]2C)c1 ZINC000058163300 195369792 /nfs/dbraw/zinc/36/97/92/195369792.db2.gz LKUGFSXMJNDWIL-NRFANRHFSA-N 1 1 456.612 2.039 50 0 JEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000063439865 195431466 /nfs/dbraw/zinc/43/14/66/195431466.db2.gz ZYGJGULOOYJTOA-UHFFFAOYSA-N 1 1 497.599 2.485 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000022786365 518727977 /nfs/dbraw/zinc/72/79/77/518727977.db2.gz UNLIXHMXNRJJGJ-UHFFFAOYSA-N 1 1 483.579 2.276 50 0 JEAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000022786365 518727985 /nfs/dbraw/zinc/72/79/85/518727985.db2.gz UNLIXHMXNRJJGJ-UHFFFAOYSA-N 1 1 483.579 2.276 50 0 JEAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974717 519440220 /nfs/dbraw/zinc/44/02/20/519440220.db2.gz YSKXQIJHVDKNRC-UHFFFAOYSA-N 1 1 464.676 2.184 50 0 JEAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C(C)C ZINC000036206663 519880674 /nfs/dbraw/zinc/88/06/74/519880674.db2.gz QHGDGAXUOMAWCH-AWEZNQCLSA-N 1 1 453.561 2.384 50 0 JEAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C(C)C ZINC000036206663 519880675 /nfs/dbraw/zinc/88/06/75/519880675.db2.gz QHGDGAXUOMAWCH-AWEZNQCLSA-N 1 1 453.561 2.384 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)CC1 ZINC000033086636 521661867 /nfs/dbraw/zinc/66/18/67/521661867.db2.gz KMWVEQLMMBFWOK-UHFFFAOYSA-N 1 1 482.006 2.263 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)Cn2ncc3c(C)n(Cc4ccccc4)c(C)c3c2=O)CC1 ZINC000020417095 521680699 /nfs/dbraw/zinc/68/06/99/521680699.db2.gz DWFJYISMJNCHHP-UHFFFAOYSA-N 1 1 464.614 2.007 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccccc1)CC2 ZINC000014990819 521780645 /nfs/dbraw/zinc/78/06/45/521780645.db2.gz FXHWCHVIYWKZEJ-AQDCRGGLSA-N 1 1 465.550 2.064 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000014990819 521780650 /nfs/dbraw/zinc/78/06/50/521780650.db2.gz FXHWCHVIYWKZEJ-AQDCRGGLSA-N 1 1 465.550 2.064 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014984791 521781313 /nfs/dbraw/zinc/78/13/13/521781313.db2.gz NPEXKHUFEBTAMA-KRWDZBQOSA-N 1 1 473.957 2.204 50 0 JEAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014984791 521781321 /nfs/dbraw/zinc/78/13/21/521781321.db2.gz NPEXKHUFEBTAMA-KRWDZBQOSA-N 1 1 473.957 2.204 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CCN(C(=O)[C@@H]1CCCCC[N@H+]1C)CC2 ZINC000012218756 522018424 /nfs/dbraw/zinc/01/84/24/522018424.db2.gz QGHWRKMXVBVIQX-NRFANRHFSA-N 1 1 484.572 2.185 50 0 JEAAMO CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)c(C)s2)no1 ZINC000035502692 522141920 /nfs/dbraw/zinc/14/19/20/522141920.db2.gz FDPDEMNQFKVHQB-UHFFFAOYSA-N 1 1 481.644 2.234 50 0 JEAAMO CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022133892 523187499 /nfs/dbraw/zinc/18/74/99/523187499.db2.gz PJWFYHIMEARLSA-UHFFFAOYSA-N 1 1 492.690 2.444 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014954643 523675301 /nfs/dbraw/zinc/67/53/01/523675301.db2.gz XAFYQQRKZHGYGX-NRFANRHFSA-N 1 1 495.576 2.018 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014954643 523675312 /nfs/dbraw/zinc/67/53/12/523675312.db2.gz XAFYQQRKZHGYGX-NRFANRHFSA-N 1 1 495.576 2.018 50 0 JEAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000045945417 524186498 /nfs/dbraw/zinc/18/64/98/524186498.db2.gz DGNXAINXYVEUIR-SFTDATJTSA-N 1 1 464.676 2.094 50 0 JEAAMO Cc1cccc(C[NH+]2CCN(CC(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)CC2)c1 ZINC000022805268 524401103 /nfs/dbraw/zinc/40/11/03/524401103.db2.gz BPXKGGADCCBHQT-SANMLTNESA-N 1 1 463.582 2.087 50 0 JEAAMO Cc1cc(C)n(CC[N@H+](C)C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)n1 ZINC000014992823 524527121 /nfs/dbraw/zinc/52/71/21/524527121.db2.gz QKAHZFBSUDYCHO-UHFFFAOYSA-N 1 1 468.646 2.163 50 0 JEAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCn3c4ccccc4n(C)c(=O)c3=O)C[C@H]2C)c1 ZINC000033272409 524554939 /nfs/dbraw/zinc/55/49/39/524554939.db2.gz VVROSHOFWKICIF-OAQYLSRUSA-N 1 1 477.609 2.116 50 0 JEAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCn3c4ccccc4n(C)c(=O)c3=O)C[C@@H]2C)c1 ZINC000033272410 524556331 /nfs/dbraw/zinc/55/63/31/524556331.db2.gz VVROSHOFWKICIF-NRFANRHFSA-N 1 1 477.609 2.116 50 0 JEAAMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000015913894 524695864 /nfs/dbraw/zinc/69/58/64/524695864.db2.gz DGORQJLANUMRCF-UHFFFAOYSA-N 1 1 453.948 2.302 50 0 JEAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)[NH2+][C@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000015972534 524861417 /nfs/dbraw/zinc/86/14/17/524861417.db2.gz LDDONVOZWGKZGG-LPIGXUFASA-N 1 1 472.929 2.305 50 0 JEAAMO COc1ccc([C@H](C[NH+]2CCOCC2)c2nc(-c3ccccc3)nn(CN3CCOCC3)c2=O)cc1 ZINC000020432217 525354380 /nfs/dbraw/zinc/35/43/80/525354380.db2.gz GJVAPRLYMFEGBP-DEOSSOPVSA-N 1 1 491.592 2.068 50 0 JEAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@H+]3C)CN(Cc3nccn3C)C2)cn1 ZINC000014733115 525438764 /nfs/dbraw/zinc/43/87/64/525438764.db2.gz OVHYBRFBGLXLKV-BHDDXSALSA-N 1 1 454.619 2.241 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022792594 525493785 /nfs/dbraw/zinc/49/37/85/525493785.db2.gz DUHLASARDCKTOE-FQEVSTJZSA-N 1 1 474.627 2.269 50 0 JEAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000033028366 525555800 /nfs/dbraw/zinc/55/58/00/525555800.db2.gz ARBCOWYRFCGLKH-DNVCBOLYSA-N 1 1 494.054 2.202 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036256046 527670957 /nfs/dbraw/zinc/67/09/57/527670957.db2.gz XSVHDKUGPAFYSY-QHCPKHFHSA-N 1 1 477.049 2.495 50 0 JEAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC[C@H]1COc2ccccc2O1 ZINC000008945341 554833293 /nfs/dbraw/zinc/83/32/93/554833293.db2.gz RELIREWEHFZCHH-SFHVURJKSA-N 1 1 453.495 2.022 50 0 JEAAMO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)CC1 ZINC000009226006 554998579 /nfs/dbraw/zinc/99/85/79/554998579.db2.gz MENUCMBIRWJTJF-UHFFFAOYSA-N 1 1 487.557 2.267 50 0 JEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009477186 555257981 /nfs/dbraw/zinc/25/79/81/555257981.db2.gz ACBNDVANYJZPNY-NRFANRHFSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009477186 555257983 /nfs/dbraw/zinc/25/79/83/555257983.db2.gz ACBNDVANYJZPNY-NRFANRHFSA-N 1 1 489.569 2.267 50 0 JEAAMO O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013163629 555361928 /nfs/dbraw/zinc/36/19/28/555361928.db2.gz VVXFEDAAFDFKBZ-UHFFFAOYSA-N 1 1 498.605 2.114 50 0 JEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677528 555401927 /nfs/dbraw/zinc/40/19/27/555401927.db2.gz OLEXWGTULBUVPQ-HNNXBMFYSA-N 1 1 451.618 2.083 50 0 JEAAMO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(I)cc1 ZINC000013551478 555492068 /nfs/dbraw/zinc/49/20/68/555492068.db2.gz TYJRTONMAYNONF-AWEZNQCLSA-N 1 1 450.232 2.442 50 0 JEAAMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000019838546 555507661 /nfs/dbraw/zinc/50/76/61/555507661.db2.gz AXDJOMCYTNPMHS-UHFFFAOYSA-N 1 1 456.539 2.386 50 0 JEAAMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000019838546 555507664 /nfs/dbraw/zinc/50/76/64/555507664.db2.gz AXDJOMCYTNPMHS-UHFFFAOYSA-N 1 1 456.539 2.386 50 0 JEAAMO C[NH+]1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000019928841 555544720 /nfs/dbraw/zinc/54/47/20/555544720.db2.gz CMWPFMWCIULSJZ-UHFFFAOYSA-N 1 1 499.374 2.261 50 0 JEAAMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000019943151 555561584 /nfs/dbraw/zinc/56/15/84/555561584.db2.gz GZWYBIOEPPVLLZ-UHFFFAOYSA-N 1 1 461.584 2.037 50 0 JEAAMO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000019990945 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/nfs/dbraw/zinc/87/46/45/555874645.db2.gz JLMQCKBXKTXBNB-HSZRJFAPSA-N 1 1 480.609 2.242 50 0 JEAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011982196 555876864 /nfs/dbraw/zinc/87/68/64/555876864.db2.gz VBJSGAKLEJZKLM-UHFFFAOYSA-N 1 1 451.502 2.106 50 0 JEAAMO COc1ccc(OC)c(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022908942 555965967 /nfs/dbraw/zinc/96/59/67/555965967.db2.gz NCRMSKJSWGXMKL-UHFFFAOYSA-N 1 1 488.610 2.202 50 0 JEAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1ccc(F)c(F)c1 ZINC000022909050 555966435 /nfs/dbraw/zinc/96/64/35/555966435.db2.gz DQKWSLPNABBXCX-UHFFFAOYSA-N 1 1 464.538 2.463 50 0 JEAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 ZINC000022920240 555974242 /nfs/dbraw/zinc/97/42/42/555974242.db2.gz YOSJTGMUWNYFRQ-INIZCTEOSA-N 1 1 472.611 2.368 50 0 JEAAMO COC(=O)c1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000022939050 555992845 /nfs/dbraw/zinc/99/28/45/555992845.db2.gz LYKSIWJYKYSLSN-UHFFFAOYSA-N 1 1 456.568 2.462 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)N2C(C)=O ZINC000015776019 555995676 /nfs/dbraw/zinc/99/56/76/555995676.db2.gz QSVLUZSHYWULKB-DEOSSOPVSA-N 1 1 486.638 2.243 50 0 JEAAMO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000023130101 556019321 /nfs/dbraw/zinc/01/93/21/556019321.db2.gz DZFVUYIKRKDSGC-LJQANCHMSA-N 1 1 473.595 2.453 50 0 JEAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000023285729 556037955 /nfs/dbraw/zinc/03/79/55/556037955.db2.gz LNCHIHDGEHZJNG-INIZCTEOSA-N 1 1 494.514 2.252 50 0 JEAAMO O=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1)N1CC[NH2+]CC1 ZINC000015868853 556047057 /nfs/dbraw/zinc/04/70/57/556047057.db2.gz SCGBUYPBOPFSTG-UHFFFAOYSA-N 1 1 455.646 2.122 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CC[N@@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000023338266 556047260 /nfs/dbraw/zinc/04/72/60/556047260.db2.gz QMNOGKRAONVQRU-UHFFFAOYSA-N 1 1 490.589 2.487 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1nccs1)CC[N@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000023338266 556047263 /nfs/dbraw/zinc/04/72/63/556047263.db2.gz QMNOGKRAONVQRU-UHFFFAOYSA-N 1 1 490.589 2.487 50 0 JEAAMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000015868933 556047602 /nfs/dbraw/zinc/04/76/02/556047602.db2.gz NKJYUOHPQMLHIB-HXUWFJFHSA-N 1 1 465.641 2.024 50 0 JEAAMO C[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cc3)nn2)CC1 ZINC000015882184 556055226 /nfs/dbraw/zinc/05/52/26/556055226.db2.gz CSNJHFNQLVQAHF-UHFFFAOYSA-N 1 1 467.551 2.467 50 0 JEAAMO CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023819983 556090484 /nfs/dbraw/zinc/09/04/84/556090484.db2.gz XTPQHJKBCGOKCZ-XMMPIXPASA-N 1 1 492.620 2.398 50 0 JEAAMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000025139876 556180713 /nfs/dbraw/zinc/18/07/13/556180713.db2.gz HVUGINOENMJOCJ-NRFANRHFSA-N 1 1 466.648 2.012 50 0 JEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016993140 556197279 /nfs/dbraw/zinc/19/72/79/556197279.db2.gz FXQPRHYKAZPYPM-HNNXBMFYSA-N 1 1 459.597 2.215 50 0 JEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016993137 556197325 /nfs/dbraw/zinc/19/73/25/556197325.db2.gz FXQPRHYKAZPYPM-OAHLLOKOSA-N 1 1 459.597 2.215 50 0 JEAAMO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000017043421 556210087 /nfs/dbraw/zinc/21/00/87/556210087.db2.gz RJEDLDLQIZJYIV-UHFFFAOYSA-N 1 1 465.597 2.182 50 0 JEAAMO CCC(CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000026307619 556252167 /nfs/dbraw/zinc/25/21/67/556252167.db2.gz RGKQPEPFIXANDZ-NRFANRHFSA-N 1 1 487.066 2.493 50 0 JEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013101726 556302378 /nfs/dbraw/zinc/30/23/78/556302378.db2.gz LTFFTXDINVKMPE-OAQYLSRUSA-N 1 1 485.606 2.249 50 0 JEAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)CC1 ZINC000028406119 556332948 /nfs/dbraw/zinc/33/29/48/556332948.db2.gz WXILQMNBJAIHOX-UHFFFAOYSA-N 1 1 459.510 2.402 50 0 JEAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 ZINC000028878763 556343278 /nfs/dbraw/zinc/34/32/78/556343278.db2.gz OJHRUHFVJSUZGN-NRFANRHFSA-N 1 1 453.543 2.311 50 0 JEAAMO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000029095716 556346390 /nfs/dbraw/zinc/34/63/90/556346390.db2.gz KLLUQZFKLNEJPQ-VWLOTQADSA-N 1 1 468.529 2.336 50 0 JEAAMO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000029095716 556346393 /nfs/dbraw/zinc/34/63/93/556346393.db2.gz KLLUQZFKLNEJPQ-VWLOTQADSA-N 1 1 468.529 2.336 50 0 JEAAMO O=C1C(=O)N(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C(=O)N1Cc1cccs1 ZINC000030281768 556364632 /nfs/dbraw/zinc/36/46/32/556364632.db2.gz VFWADLAHRCGRPF-UHFFFAOYSA-N 1 1 462.959 2.346 50 0 JEAAMO Cc1ccc([C@@H](C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)N(C)C)cc1 ZINC000019819015 556387083 /nfs/dbraw/zinc/38/70/83/556387083.db2.gz BPSUARILJRTBBX-BDTNDASRSA-N 1 1 450.626 2.135 50 0 JEAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1C ZINC000019821014 556391420 /nfs/dbraw/zinc/39/14/20/556391420.db2.gz PPCHMKCHKYFAOI-UNMCSNQZSA-N 1 1 462.593 2.257 50 0 JEAAMO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1OC ZINC000031538837 556399208 /nfs/dbraw/zinc/39/92/08/556399208.db2.gz YFHAVHDWLHKKOR-UHFFFAOYSA-N 1 1 474.627 2.278 50 0 JEAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754846 556487095 /nfs/dbraw/zinc/48/70/95/556487095.db2.gz QUWJILORDKCYJT-HSZRJFAPSA-N 1 1 482.537 2.306 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000057273914 569595407 /nfs/dbraw/zinc/59/54/07/569595407.db2.gz UDYDVNZGQYJNHL-LJQANCHMSA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000057273914 569595408 /nfs/dbraw/zinc/59/54/08/569595408.db2.gz UDYDVNZGQYJNHL-LJQANCHMSA-N 1 1 481.615 2.401 50 0 JEAAMO Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCC[N@@H+](C)C1CCCCC1)C2 ZINC000064565524 569618898 /nfs/dbraw/zinc/61/88/98/569618898.db2.gz ZTTBXEBTJYPEJB-UHFFFAOYSA-N 1 1 486.661 2.092 50 0 JEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)c1C ZINC000064775924 569627694 /nfs/dbraw/zinc/62/76/94/569627694.db2.gz QDRRNHHUXQAJIO-UHFFFAOYSA-N 1 1 472.593 2.443 50 0 JEAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1OC ZINC000034692165 569646373 /nfs/dbraw/zinc/64/63/73/569646373.db2.gz KJFACGYAWYHYGF-HSZRJFAPSA-N 1 1 496.608 2.462 50 0 JEAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1OC ZINC000034692165 569646374 /nfs/dbraw/zinc/64/63/74/569646374.db2.gz KJFACGYAWYHYGF-HSZRJFAPSA-N 1 1 496.608 2.462 50 0 JEAAMO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)n3)c2c1 ZINC000065111768 569664627 /nfs/dbraw/zinc/66/46/27/569664627.db2.gz VIPWRCGNTWHRFP-UHFFFAOYSA-N 1 1 490.564 2.272 50 0 JEAAMO CC[NH+]1CCN(c2ccc(NC(=O)COC)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919567 569672150 /nfs/dbraw/zinc/67/21/50/569672150.db2.gz DXWZJHHUIMBLNT-SFHVURJKSA-N 1 1 460.600 2.453 50 0 JEAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](CCOC)CC2)[C@@H]1c1ccccc1 ZINC000034927905 569673127 /nfs/dbraw/zinc/67/31/27/569673127.db2.gz BSSOQQCJBAFZRQ-RPWUZVMVSA-N 1 1 451.567 2.404 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@H](C)CCc4ccccc4)c(=O)c3s2)CC1 ZINC000067225932 569681029 /nfs/dbraw/zinc/68/10/29/569681029.db2.gz YPCXOTMUZFZNJU-QGZVFWFLSA-N 1 1 454.600 2.132 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCCc4ccc(Cl)cc4)c(=O)c3s2)CC1 ZINC000067225940 569681036 /nfs/dbraw/zinc/68/10/36/569681036.db2.gz PCFOIEFAPGPNJY-UHFFFAOYSA-N 1 1 460.991 2.007 50 0 JEAAMO CC[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)N1c2cc(C)nn2CCC1=O ZINC000035374408 569684187 /nfs/dbraw/zinc/68/41/87/569684187.db2.gz UTBLZKCQYALYSQ-FQEVSTJZSA-N 1 1 456.566 2.174 50 0 JEAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000035401651 569690993 /nfs/dbraw/zinc/69/09/93/569690993.db2.gz MAXHJJDUZNDULX-SFTDATJTSA-N 1 1 450.649 2.071 50 0 JEAAMO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1)N1CCNCC1 ZINC000035422050 569692551 /nfs/dbraw/zinc/69/25/51/569692551.db2.gz SHBLTJVFFPSVEL-UHFFFAOYSA-N 1 1 451.409 2.199 50 0 JEAAMO Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)cc1 ZINC000069978535 569694503 /nfs/dbraw/zinc/69/45/03/569694503.db2.gz XCIXNQGLSWOCGV-FYYLOGMGSA-N 1 1 459.635 2.302 50 0 JEAAMO Cc1onc2c1c(C)nn(CCCC(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)c2=O ZINC000085613806 569711202 /nfs/dbraw/zinc/71/12/02/569711202.db2.gz GGTPMDYULZWZQP-UHFFFAOYSA-N 1 1 470.549 2.249 50 0 JEAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)CC(C)(C)C)CC4)n3)CC2)cc1 ZINC000035926750 569729878 /nfs/dbraw/zinc/72/98/78/569729878.db2.gz RLVYVYBUBWIZHT-UHFFFAOYSA-N 1 1 466.630 2.485 50 0 JEAAMO C[C@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000097086688 569744111 /nfs/dbraw/zinc/74/41/11/569744111.db2.gz OEJSRTJRWKKEAT-GOSISDBHSA-N 1 1 461.657 2.434 50 0 JEAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000036014803 569748845 /nfs/dbraw/zinc/74/88/45/569748845.db2.gz XRNVJBJBSKPEKE-JOCHJYFZSA-N 1 1 478.549 2.474 50 0 JEAAMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000036394224 569774783 /nfs/dbraw/zinc/77/47/83/569774783.db2.gz INRCNXQHAVBQKT-RTWAWAEBSA-N 1 1 476.668 2.254 50 0 JEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000037447381 569791142 /nfs/dbraw/zinc/79/11/42/569791142.db2.gz PYUHBOVCNWMLPJ-CLOONOSVSA-N 1 1 472.634 2.171 50 0 JEAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(CN3CC[NH+](C4CCOCC4)CC3)c1[O-])CC2 ZINC000101374230 569794994 /nfs/dbraw/zinc/79/49/94/569794994.db2.gz XQTLNLPYZHEKEG-UHFFFAOYSA-N 1 1 499.608 2.218 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](c3cccs3)N3CC[NH+](C)CC3)cc2C[C@@H]1C ZINC000040034471 569814533 /nfs/dbraw/zinc/81/45/33/569814533.db2.gz AXZMGTOWKZGAHK-KKSFZXQISA-N 1 1 462.641 2.313 50 0 JEAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CC[N@@H+](CCO)C[C@H]43)C2=O)cc1 ZINC000103405546 569834943 /nfs/dbraw/zinc/83/49/43/569834943.db2.gz WKASDSXNYOGNGL-JYFHCDHNSA-N 1 1 462.550 2.311 50 0 JEAAMO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C[C@]21O ZINC000049604892 569849788 /nfs/dbraw/zinc/84/97/88/569849788.db2.gz CBIBKNBSAQKIMT-CQTYLLACSA-N 1 1 460.571 2.315 50 0 biogenic JEAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000106319611 569853959 /nfs/dbraw/zinc/85/39/59/569853959.db2.gz GBCZZWVHMDOYMB-NHCUHLMSSA-N 1 1 450.649 2.071 50 0 JEAAMO Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)C2)cc1 ZINC000106763749 569855664 /nfs/dbraw/zinc/85/56/64/569855664.db2.gz XCIXNQGLSWOCGV-GGAORHGYSA-N 1 1 459.635 2.302 50 0 JEAAMO COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225417041 569995787 /nfs/dbraw/zinc/99/57/87/569995787.db2.gz QEMVYUWZNYAZOV-KPFFTGBYSA-N 1 1 477.517 2.216 50 0 biogenic JEAAMO COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225417041 569995788 /nfs/dbraw/zinc/99/57/88/569995788.db2.gz QEMVYUWZNYAZOV-KPFFTGBYSA-N 1 1 477.517 2.216 50 0 biogenic JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000230049381 570044103 /nfs/dbraw/zinc/04/41/03/570044103.db2.gz KUIZFCYTWLYTDP-ZDQHKECQSA-N 1 1 463.465 2.434 50 0 JEAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000230049381 570044104 /nfs/dbraw/zinc/04/41/04/570044104.db2.gz KUIZFCYTWLYTDP-ZDQHKECQSA-N 1 1 463.465 2.434 50 0 JEAAMO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000239762517 570052789 /nfs/dbraw/zinc/05/27/89/570052789.db2.gz CLVODYMUIWMJCQ-DNQXCXABSA-N 1 1 450.583 2.296 50 0 JEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245237301 570057257 /nfs/dbraw/zinc/05/72/57/570057257.db2.gz IPIKQZAKCBJNOY-UZLBHIALSA-N 1 1 459.568 2.462 50 0 JEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245237301 570057258 /nfs/dbraw/zinc/05/72/58/570057258.db2.gz IPIKQZAKCBJNOY-UZLBHIALSA-N 1 1 459.568 2.462 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000245311918 570063573 /nfs/dbraw/zinc/06/35/73/570063573.db2.gz QQFRMODHHSIURK-UXPWSPDFSA-N 1 1 464.657 2.290 50 0 JEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000253412367 570097997 /nfs/dbraw/zinc/09/79/97/570097997.db2.gz QTKJNZQCSRJJJG-SLFFLAALSA-N 1 1 470.570 2.339 50 0 biogenic JEAAMO COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000334159472 570184589 /nfs/dbraw/zinc/18/45/89/570184589.db2.gz BTHXAPUXVRAWKI-NNWRFLSQSA-N 1 1 456.587 2.319 50 0 JEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000003049260 194218414 /nfs/dbraw/zinc/21/84/14/194218414.db2.gz OBKVZSWUWFNDGZ-UHFFFAOYSA-N 1 1 494.617 2.491 50 0 JEAAMO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000012779211 195123176 /nfs/dbraw/zinc/12/31/76/195123176.db2.gz AAZREDPBRXPJNX-IBGZPJMESA-N 1 1 472.611 2.355 50 0 JEAAMO CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012786110 195128199 /nfs/dbraw/zinc/12/81/99/195128199.db2.gz FENINXPTGXGODN-IBGZPJMESA-N 1 1 453.539 2.091 50 0 JEAAMO Cc1c(C)c2c(OCC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000020760046 195217574 /nfs/dbraw/zinc/21/75/74/195217574.db2.gz SMXLONLAACHEGM-UHFFFAOYSA-N 1 1 485.581 2.125 50 0 biogenic JEAAMO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020766085 195221342 /nfs/dbraw/zinc/22/13/42/195221342.db2.gz DBDWNRLOZSSFSX-HSZRJFAPSA-N 1 1 475.611 2.252 50 0 JEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000020912816 195246164 /nfs/dbraw/zinc/24/61/64/195246164.db2.gz DTRILZBXRCSDSL-UHFFFAOYSA-N 1 1 495.580 2.100 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000020938217 195254039 /nfs/dbraw/zinc/25/40/39/195254039.db2.gz FCXQFONCNCXEPL-IBGZPJMESA-N 1 1 467.607 2.378 50 0 JEAAMO Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)N1CC[NH+](C3CCCCC3)CC1)OCC(=O)N2 ZINC000020930165 195251242 /nfs/dbraw/zinc/25/12/42/195251242.db2.gz NDCVIPGQWUIVPD-QGZVFWFLSA-N 1 1 463.600 2.355 50 0 JEAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000021022407 195267780 /nfs/dbraw/zinc/26/77/80/195267780.db2.gz PTTCNJVPYYDSSB-VWLOTQADSA-N 1 1 498.649 2.387 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c(OC)c1OC ZINC000021040051 195270635 /nfs/dbraw/zinc/27/06/35/195270635.db2.gz SJTSOAZOSOMPCF-UHFFFAOYSA-N 1 1 477.569 2.177 50 0 JEAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c(OC)c1OC ZINC000021040051 195270638 /nfs/dbraw/zinc/27/06/38/195270638.db2.gz SJTSOAZOSOMPCF-UHFFFAOYSA-N 1 1 477.569 2.177 50 0 JEAAMO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC[N@H+]3CCc4ccccc4C3)sc2n1 ZINC000021165560 195288862 /nfs/dbraw/zinc/28/88/62/195288862.db2.gz OXRFHAHDGBAICN-UHFFFAOYSA-N 1 1 454.600 2.104 50 0 JEAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000021534324 195310586 /nfs/dbraw/zinc/31/05/86/195310586.db2.gz SQJXHXCWVFTHST-JOCHJYFZSA-N 1 1 464.676 2.182 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000021534324 195310589 /nfs/dbraw/zinc/31/05/89/195310589.db2.gz SQJXHXCWVFTHST-JOCHJYFZSA-N 1 1 464.676 2.182 50 0 JEAAMO COc1ccccc1N1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888076 195325587 /nfs/dbraw/zinc/32/55/87/195325587.db2.gz ANAVJZDTALAMHF-UHFFFAOYSA-N 1 1 472.611 2.461 50 0 JEAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCN(CC)CC4)C3)ccc21 ZINC000021938098 195337799 /nfs/dbraw/zinc/33/77/99/195337799.db2.gz OJZDOEBCOVTRSZ-QFIPXVFZSA-N 1 1 489.686 2.206 50 0 JEAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000058157272 195367527 /nfs/dbraw/zinc/36/75/27/195367527.db2.gz XROFNWYYUJOBFW-FQEVSTJZSA-N 1 1 451.589 2.106 50 0 JEAAMO Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CC[NH+](C)CC2)N3C(=O)c2ccccc2)c1 ZINC000096274489 130005355 /nfs/dbraw/zinc/00/53/55/130005355.db2.gz YZZMBDCPSFDSPY-XMMPIXPASA-N 1 1 490.604 2.243 50 0 JEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)CC1 ZINC000064946997 521662499 /nfs/dbraw/zinc/66/24/99/521662499.db2.gz LOWCOCAYZIJRMY-UHFFFAOYSA-N 1 1 459.616 2.054 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)CC1 ZINC000033315271 521681059 /nfs/dbraw/zinc/68/10/59/521681059.db2.gz WPGZZTQRRLGKTK-FQEVSTJZSA-N 1 1 459.664 2.306 50 0 JEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(OC)c(Cl)c4)c(=O)c3s2)CC1 ZINC000021886381 521702095 /nfs/dbraw/zinc/70/20/95/521702095.db2.gz JMEVRLAMPWBHBT-UHFFFAOYSA-N 1 1 462.963 2.296 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000014986754 521781177 /nfs/dbraw/zinc/78/11/77/521781177.db2.gz NQDUMSYZZOZIAU-MRXNPFEDSA-N 1 1 473.957 2.204 50 0 JEAAMO COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000014986754 521781188 /nfs/dbraw/zinc/78/11/88/521781188.db2.gz NQDUMSYZZOZIAU-MRXNPFEDSA-N 1 1 473.957 2.204 50 0 JEAAMO CCn1c(=O)c(-c2noc(C(=O)NCCC[N@@H+](C)C3CCCCC3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946529 523096934 /nfs/dbraw/zinc/09/69/34/523096934.db2.gz TYFHHZIBPWYXQW-UHFFFAOYSA-N 1 1 495.584 2.157 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000020454966 523673486 /nfs/dbraw/zinc/67/34/86/523673486.db2.gz CVDUZGGOORCKAG-FQEVSTJZSA-N 1 1 471.529 2.222 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000020454966 523673495 /nfs/dbraw/zinc/67/34/95/523673495.db2.gz CVDUZGGOORCKAG-FQEVSTJZSA-N 1 1 471.529 2.222 50 0 JEAAMO COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014962569 523693423 /nfs/dbraw/zinc/69/34/23/523693423.db2.gz HHRGCDYUDRNRDG-ZJOUEHCJSA-N 1 1 483.609 2.485 50 0 JEAAMO C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000009833577 523881266 /nfs/dbraw/zinc/88/12/66/523881266.db2.gz GKMMXWVJUCHHRO-UHFFFAOYSA-N 1 1 452.374 2.315 50 0 JEAAMO CN1CC[NH+](CCCNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033062156 523896791 /nfs/dbraw/zinc/89/67/91/523896791.db2.gz RSTMEZJMAUEATM-UHFFFAOYSA-N 1 1 450.996 2.130 50 0 JEAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)NCc4ccco4)c(OC)cc(=O)n3CC2)cc1OC ZINC000014881762 524038356 /nfs/dbraw/zinc/03/83/56/524038356.db2.gz MXXVJBHIDXSKSO-UHFFFAOYSA-N 1 1 467.522 2.455 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4ccco4)c(OC)cc(=O)n3CC2)cc1OC ZINC000014881762 524038361 /nfs/dbraw/zinc/03/83/61/524038361.db2.gz MXXVJBHIDXSKSO-UHFFFAOYSA-N 1 1 467.522 2.455 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1OC ZINC000014964977 524039818 /nfs/dbraw/zinc/03/98/18/524039818.db2.gz DXCABJRBJVHNCA-UHFFFAOYSA-N 1 1 483.544 2.360 50 0 JEAAMO COc1cccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CC[NH+](CCO)CC2)c1 ZINC000022698055 524169168 /nfs/dbraw/zinc/16/91/68/524169168.db2.gz QFHPKGVQLYEZNA-RUZDIDTESA-N 1 1 464.566 2.014 50 0 JEAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000045945468 524312813 /nfs/dbraw/zinc/31/28/13/524312813.db2.gz DLBLGNVVNYUWHT-BGYRXZFFSA-N 1 1 478.703 2.402 50 0 JEAAMO 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COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCO)C2)cc1OC ZINC000014530424 555816995 /nfs/dbraw/zinc/81/69/95/555816995.db2.gz DPOMOASPIJLJLZ-FCHUYYIVSA-N 1 1 481.593 2.378 50 0 JEAAMO COc1cccc(C(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000011972611 555874502 /nfs/dbraw/zinc/87/45/02/555874502.db2.gz JLMQCKBXKTXBNB-QHCPKHFHSA-N 1 1 480.609 2.242 50 0 JEAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000011997604 555879409 /nfs/dbraw/zinc/87/94/09/555879409.db2.gz HZIKMUAFRLDABT-FQEVSTJZSA-N 1 1 481.571 2.008 50 0 JEAAMO Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000011998040 555880664 /nfs/dbraw/zinc/88/06/64/555880664.db2.gz GPXPVPAZVZTABA-AEFFLSMTSA-N 1 1 481.596 2.016 50 0 JEAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000015671281 555928106 /nfs/dbraw/zinc/92/81/06/555928106.db2.gz CLMKQUZICVGMDG-UHFFFAOYSA-N 1 1 461.588 2.303 50 0 JEAAMO C[C@H]1CSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)CCCN4CCOCC4)CC3)cc2NC1=O ZINC000015731131 555973946 /nfs/dbraw/zinc/97/39/46/555973946.db2.gz AURMMCVLQRIRDO-SFHVURJKSA-N 1 1 496.699 2.174 50 0 JEAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[NH+]4CCN(C)CC4)CC3)[nH]c2c1 ZINC000022938624 555992341 /nfs/dbraw/zinc/99/23/41/555992341.db2.gz OGBHJQGESYWXBM-IBGZPJMESA-N 1 1 469.630 2.419 50 0 JEAAMO O[C@H](COc1ccc2c(c1)CCC2)CN1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022942625 555993088 /nfs/dbraw/zinc/99/30/88/555993088.db2.gz ATQXEYLKEGRIMQ-UIOOFZCWSA-N 1 1 466.622 2.461 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000023128832 556018093 /nfs/dbraw/zinc/01/80/93/556018093.db2.gz MXLTVQUAFOVAMJ-UHFFFAOYSA-N 1 1 495.551 2.355 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000023128832 556018095 /nfs/dbraw/zinc/01/80/95/556018095.db2.gz MXLTVQUAFOVAMJ-UHFFFAOYSA-N 1 1 495.551 2.355 50 0 JEAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000023130099 556019315 /nfs/dbraw/zinc/01/93/15/556019315.db2.gz DZFVUYIKRKDSGC-IBGZPJMESA-N 1 1 473.595 2.453 50 0 JEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000023249170 556035155 /nfs/dbraw/zinc/03/51/55/556035155.db2.gz DSGCSNOMHOLZTG-UHFFFAOYSA-N 1 1 457.619 2.220 50 0 JEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000023249170 556035158 /nfs/dbraw/zinc/03/51/58/556035158.db2.gz DSGCSNOMHOLZTG-UHFFFAOYSA-N 1 1 457.619 2.220 50 0 JEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)c(OC)c1 ZINC000023337649 556047115 /nfs/dbraw/zinc/04/71/15/556047115.db2.gz IOZNNQMNWQFYKQ-UHFFFAOYSA-N 1 1 453.518 2.465 50 0 JEAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000015924871 556069402 /nfs/dbraw/zinc/06/94/02/556069402.db2.gz MPWSQHISFKUTTH-UHFFFAOYSA-N 1 1 464.415 2.233 50 0 JEAAMO O=C(CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023563412 556078831 /nfs/dbraw/zinc/07/88/31/556078831.db2.gz WQLQCMACHKZPDY-QGZVFWFLSA-N 1 1 492.605 2.175 50 0 JEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000023844809 556091190 /nfs/dbraw/zinc/09/11/90/556091190.db2.gz XNSMGXCDWDKSNF-QFIPXVFZSA-N 1 1 457.596 2.410 50 0 JEAAMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023866882 556095139 /nfs/dbraw/zinc/09/51/39/556095139.db2.gz ZKYGUAQKIGUKFC-UNMCSNQZSA-N 1 1 475.586 2.039 50 0 JEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000016025557 556116420 /nfs/dbraw/zinc/11/64/20/556116420.db2.gz VUIIPJCPWZTCIA-JZBASNBKSA-N 1 1 474.561 2.446 50 0 biogenic JEAAMO COc1ccc(OC)c(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027741 556207385 /nfs/dbraw/zinc/20/73/85/556207385.db2.gz ZVNSXYMNHKFIFK-HYBUGGRVSA-N 1 1 450.495 2.490 50 0 JEAAMO COc1ccc(OC)c(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027741 556207388 /nfs/dbraw/zinc/20/73/88/556207388.db2.gz ZVNSXYMNHKFIFK-HYBUGGRVSA-N 1 1 450.495 2.490 50 0 JEAAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013040264 556242960 /nfs/dbraw/zinc/24/29/60/556242960.db2.gz OMQQKQMFIVSGBU-GOSISDBHSA-N 1 1 461.584 2.484 50 0 JEAAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013040264 556242962 /nfs/dbraw/zinc/24/29/62/556242962.db2.gz OMQQKQMFIVSGBU-GOSISDBHSA-N 1 1 461.584 2.484 50 0 JEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1)OCCCO4 ZINC000019354135 556344092 /nfs/dbraw/zinc/34/40/92/556344092.db2.gz UPWXOFHVERBSTD-QFIPXVFZSA-N 1 1 462.510 2.486 50 0 JEAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000030015597 556362511 /nfs/dbraw/zinc/36/25/11/556362511.db2.gz XCWKYHYTNHTCJG-FGZHOGPDSA-N 1 1 457.571 2.117 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1sccc1C)CC2 ZINC000019790976 556370271 /nfs/dbraw/zinc/37/02/71/556370271.db2.gz XBIJSHKCOKBZQX-UHFFFAOYSA-N 1 1 455.584 2.302 50 0 JEAAMO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000019797302 556375104 /nfs/dbraw/zinc/37/51/04/556375104.db2.gz QZICGGCDQIFQIH-VXKWHMMOSA-N 1 1 462.593 2.338 50 0 JEAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000019821067 556391414 /nfs/dbraw/zinc/39/14/14/556391414.db2.gz WWCIWTWCOAOLIF-SANMLTNESA-N 1 1 499.615 2.313 50 0 JEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032674323 556468906 /nfs/dbraw/zinc/46/89/06/556468906.db2.gz LPDSNQDUDQVPHC-FQEVSTJZSA-N 1 1 453.580 2.130 50 0 JEAAMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000032931447 556546427 /nfs/dbraw/zinc/54/64/27/556546427.db2.gz MONODNKMOZLKNB-OALUTQOASA-N 1 1 464.632 2.061 50 0 JEAAMO Cc1cccc(Cn2c(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000056952642 569593303 /nfs/dbraw/zinc/59/33/03/569593303.db2.gz IJYIPEJNJIDUCI-UHFFFAOYSA-N 1 1 462.529 2.241 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000057273913 569595549 /nfs/dbraw/zinc/59/55/49/569595549.db2.gz UDYDVNZGQYJNHL-IBGZPJMESA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000057273913 569595550 /nfs/dbraw/zinc/59/55/50/569595550.db2.gz UDYDVNZGQYJNHL-IBGZPJMESA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000057292047 569595827 /nfs/dbraw/zinc/59/58/27/569595827.db2.gz YALLKSUYSRUFCL-SFHVURJKSA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000057292047 569595829 /nfs/dbraw/zinc/59/58/29/569595829.db2.gz YALLKSUYSRUFCL-SFHVURJKSA-N 1 1 481.615 2.401 50 0 JEAAMO COC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415924 569601214 /nfs/dbraw/zinc/60/12/14/569601214.db2.gz DTXSPFSQBCCUEH-NRFANRHFSA-N 1 1 470.551 2.076 50 0 JEAAMO CCN1CC[NH+](CCCNC(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032987557 569609553 /nfs/dbraw/zinc/60/95/53/569609553.db2.gz RVEJHMGVNAHRCV-UHFFFAOYSA-N 1 1 481.022 2.104 50 0 JEAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000062736129 569614888 /nfs/dbraw/zinc/61/48/88/569614888.db2.gz UTQBYZWOFVJODN-IBGZPJMESA-N 1 1 481.615 2.401 50 0 JEAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000062736129 569614890 /nfs/dbraw/zinc/61/48/90/569614890.db2.gz UTQBYZWOFVJODN-IBGZPJMESA-N 1 1 481.615 2.401 50 0 JEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3cccc(F)c3)nn2C)C1 ZINC000064565604 569619082 /nfs/dbraw/zinc/61/90/82/569619082.db2.gz WJUHSPSAWQGSSF-GOSISDBHSA-N 1 1 498.603 2.467 50 0 JEAAMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677115 569641714 /nfs/dbraw/zinc/64/17/14/569641714.db2.gz QDXLAKJVTNYHLH-HXUWFJFHSA-N 1 1 497.562 2.442 50 0 JEAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)N1CCOCC1 ZINC000034708066 569650243 /nfs/dbraw/zinc/65/02/43/569650243.db2.gz NWNWULYYEVBNQB-DEOSSOPVSA-N 1 1 458.555 2.459 50 0 JEAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@H]3C)c2)c1 ZINC000065025327 569650759 /nfs/dbraw/zinc/65/07/59/569650759.db2.gz WKXNUMPDUYLDGC-QGZVFWFLSA-N 1 1 473.599 2.315 50 0 JEAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793350 569660710 /nfs/dbraw/zinc/66/07/10/569660710.db2.gz BGONNEVEHBYFME-FQEVSTJZSA-N 1 1 480.396 2.340 50 0 JEAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000065117254 569667222 /nfs/dbraw/zinc/66/72/22/569667222.db2.gz ZTKGOAFEFBBTFJ-UHFFFAOYSA-N 1 1 497.621 2.024 50 0 JEAAMO O=C(Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067197201 569677359 /nfs/dbraw/zinc/67/73/59/569677359.db2.gz FFPAUWQHOYMXER-UHFFFAOYSA-N 1 1 458.518 2.149 50 0 JEAAMO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]3CCCC[C@H]3C)ccc21 ZINC000035240776 569678687 /nfs/dbraw/zinc/67/86/87/569678687.db2.gz BXHBNGAHFALBNL-QGZVFWFLSA-N 1 1 450.609 2.013 50 0 JEAAMO Cc1oc2ncn(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(=O)c2c1C ZINC000035378532 569685836 /nfs/dbraw/zinc/68/58/36/569685836.db2.gz MRHXONSNVQRJCP-UHFFFAOYSA-N 1 1 455.534 2.464 50 0 JEAAMO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000070007782 569694815 /nfs/dbraw/zinc/69/48/15/569694815.db2.gz PXPWWYAMIGNCQZ-AREMUKBSSA-N 1 1 462.550 2.499 50 0 JEAAMO CCn1c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528462 569699754 /nfs/dbraw/zinc/69/97/54/569699754.db2.gz ZWOMLWGEDFXIHZ-UHFFFAOYSA-N 1 1 450.568 2.403 50 0 JEAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCN(C)CC3)n2Cc2ccccc2)c1 ZINC000035561392 569704412 /nfs/dbraw/zinc/70/44/12/569704412.db2.gz ILOLUTGVBLHQGR-UHFFFAOYSA-N 1 1 497.665 2.307 50 0 JEAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000078336367 569706101 /nfs/dbraw/zinc/70/61/01/569706101.db2.gz FDPPXZDWCGOGHI-UHFFFAOYSA-N 1 1 484.578 2.386 50 0 JEAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1OC ZINC000035806533 569711404 /nfs/dbraw/zinc/71/14/04/569711404.db2.gz MWFVGEUONIDNNX-GDNALLQQSA-N 1 1 461.518 2.173 50 0 biogenic JEAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000085652147 569714182 /nfs/dbraw/zinc/71/41/82/569714182.db2.gz LIEKDPZXPBHOIT-SFHVURJKSA-N 1 1 487.582 2.276 50 0 JEAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccc(F)c3)[C@H]2C1)N1CCCC1 ZINC000035870494 569718271 /nfs/dbraw/zinc/71/82/71/569718271.db2.gz YUYPTFGYCNYXBD-LADGPHEKSA-N 1 1 450.558 2.427 50 0 JEAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccc(F)c3)[C@H]2C1)N1CCCC1 ZINC000035870494 569718273 /nfs/dbraw/zinc/71/82/73/569718273.db2.gz YUYPTFGYCNYXBD-LADGPHEKSA-N 1 1 450.558 2.427 50 0 JEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc2c(c1)CCO2 ZINC000090607264 569721109 /nfs/dbraw/zinc/72/11/09/569721109.db2.gz LEBLZBKCMKXWHW-NRFANRHFSA-N 1 1 479.624 2.133 50 0 JEAAMO COc1cccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCC[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000035894078 569722905 /nfs/dbraw/zinc/72/29/05/569722905.db2.gz XVKGJZQDMDIDLA-AHWVRZQESA-N 1 1 464.610 2.401 50 0 JEAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)Cc5cccs5)CC4)n3)CC2)cc1 ZINC000035926752 569729993 /nfs/dbraw/zinc/72/99/93/569729993.db2.gz DNJMBLMFSVQTBI-UHFFFAOYSA-N 1 1 492.649 2.353 50 0 JEAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000096113828 569732872 /nfs/dbraw/zinc/73/28/72/569732872.db2.gz UCGOKQRIMIPUEN-KNQAVFIVSA-N 1 1 472.589 2.430 50 0 biogenic JEAAMO CC[NH+]1CCN(C(=O)CCN2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3C)CC1 ZINC000035967665 569738934 /nfs/dbraw/zinc/73/89/34/569738934.db2.gz BMFLLXXDOQFIEQ-FQEVSTJZSA-N 1 1 479.503 2.052 50 0 JEAAMO C[NH+]1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981905 569742773 /nfs/dbraw/zinc/74/27/73/569742773.db2.gz LILREXGZUCLBPC-OAQYLSRUSA-N 1 1 488.604 2.196 50 0 JEAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036342425 569765722 /nfs/dbraw/zinc/76/57/22/569765722.db2.gz DSHCZWPSOZJJCA-OAQYLSRUSA-N 1 1 464.522 2.299 50 0 JEAAMO COc1ccc(C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)Cc2cccs2)cc1 ZINC000036382132 569773693 /nfs/dbraw/zinc/77/36/93/569773693.db2.gz KBLBUVVSCWBMBF-OAHLLOKOSA-N 1 1 456.568 2.052 50 0 JEAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000036393182 569774627 /nfs/dbraw/zinc/77/46/27/569774627.db2.gz FCFKKJRCOHOQLD-DEOSSOPVSA-N 1 1 491.592 2.219 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)COc4ccccc4)CC3)C2)cc1OC ZINC000037613871 569799465 /nfs/dbraw/zinc/79/94/65/569799465.db2.gz WMTFJLXOAFBCPD-QHCPKHFHSA-N 1 1 497.592 2.158 50 0 JEAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)COc4ccccc4)CC3)C2)cc1OC ZINC000037613871 569799466 /nfs/dbraw/zinc/79/94/66/569799466.db2.gz WMTFJLXOAFBCPD-QHCPKHFHSA-N 1 1 497.592 2.158 50 0 JEAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000040157926 569821863 /nfs/dbraw/zinc/82/18/63/569821863.db2.gz BIJUZOCKOCIUQV-OAQYLSRUSA-N 1 1 456.568 2.173 50 0 JEAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000040157926 569821866 /nfs/dbraw/zinc/82/18/66/569821866.db2.gz BIJUZOCKOCIUQV-OAQYLSRUSA-N 1 1 456.568 2.173 50 0 JEAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000043732413 569838247 /nfs/dbraw/zinc/83/82/47/569838247.db2.gz DUSBETSVXILJKT-HTIQSUCMSA-N 1 1 458.628 2.340 50 0 JEAAMO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C[C@@]21O ZINC000049604891 569849764 /nfs/dbraw/zinc/84/97/64/569849764.db2.gz CBIBKNBSAQKIMT-CXPXNAAHSA-N 1 1 460.571 2.315 50 0 biogenic JEAAMO C[N@H+]1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000245224943 570054740 /nfs/dbraw/zinc/05/47/40/570054740.db2.gz INRCNXQHAVBQKT-SFTDATJTSA-N 1 1 476.668 2.254 50 0 JEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000249682031 570078498 /nfs/dbraw/zinc/07/84/98/570078498.db2.gz BVKXZOKRJLPNKP-GYCJOSAFSA-N 1 1 478.549 2.419 50 0 biogenic JEAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252570417 570083459 /nfs/dbraw/zinc/08/34/59/570083459.db2.gz WSGKEUMMWFYOAF-IPMKNSEASA-N 1 1 456.543 2.201 50 0 JEAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000253395456 570095850 /nfs/dbraw/zinc/09/58/50/570095850.db2.gz AKYXQALDYQSJGE-PLMTUMEDSA-N 1 1 491.544 2.142 50 0 biogenic JEAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000253395456 570095851 /nfs/dbraw/zinc/09/58/51/570095851.db2.gz AKYXQALDYQSJGE-PLMTUMEDSA-N 1 1 491.544 2.142 50 0 biogenic JEAAMO COc1cc(N2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc(OC)c1OC ZINC000253414434 570098487 /nfs/dbraw/zinc/09/84/87/570098487.db2.gz XMHOPJBDQOUXFN-YTQUADARSA-N 1 1 488.585 2.250 50 0 biogenic JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CC[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000299783776 570176671 /nfs/dbraw/zinc/17/66/71/570176671.db2.gz URQJPYKCFHAMTG-UHFFFAOYSA-N 1 1 479.606 2.290 50 0 JEAAMO COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CC[N@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000299783776 570176672 /nfs/dbraw/zinc/17/66/72/570176672.db2.gz URQJPYKCFHAMTG-UHFFFAOYSA-N 1 1 479.606 2.290 50 0 JEAAMO