smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1[C@@H]2CCCC[C@@]2(C(=O)N2CC[NH+](C)CC2)CCS1(=O)=O ZINC000675009723 741325407 /nfs/dbraw/zinc/32/54/07/741325407.db2.gz DCLKCQIZEHXWIZ-GDBMZVCRSA-N 1 1 343.493 0.745 50 0 ECAAMO Cn1ccc(NC(=O)C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000091707865 282717483 /nfs/dbraw/zinc/71/74/83/282717483.db2.gz DAWGVZSERKVLMT-UHFFFAOYSA-N 1 1 349.435 0.056 50 0 ECAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(C)c1 ZINC000040520444 213332671 /nfs/dbraw/zinc/33/26/71/213332671.db2.gz QEMPBVXBOODGDR-UHFFFAOYSA-N 1 1 344.415 0.679 50 0 ECAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(C)c1 ZINC000040520444 213332674 /nfs/dbraw/zinc/33/26/74/213332674.db2.gz QEMPBVXBOODGDR-UHFFFAOYSA-N 1 1 344.415 0.679 50 0 ECAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(F)c1 ZINC000019540950 202011885 /nfs/dbraw/zinc/01/18/85/202011885.db2.gz NWYUTDPRWUGGFD-UHFFFAOYSA-N 1 1 348.378 0.510 50 0 ECAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(F)c1 ZINC000019540950 202011889 /nfs/dbraw/zinc/01/18/89/202011889.db2.gz NWYUTDPRWUGGFD-UHFFFAOYSA-N 1 1 348.378 0.510 50 0 ECAAMO CCS(=O)(=O)N1CCC(Cn2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000020233306 202037106 /nfs/dbraw/zinc/03/71/06/202037106.db2.gz CORYBRGGNCUAPQ-UHFFFAOYSA-N 1 1 341.481 0.936 50 0 ECAAMO C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)Oc2cccnc2NC1=O ZINC000020365727 202038912 /nfs/dbraw/zinc/03/89/12/202038912.db2.gz YLDQIQSPEOUFOO-INIZCTEOSA-N 1 1 334.376 0.010 50 0 ECAAMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000020948677 202059185 /nfs/dbraw/zinc/05/91/85/202059185.db2.gz MMDIVIFXZGCIRP-CYBMUJFWSA-N 1 1 337.395 0.990 50 0 ECAAMO CC[C@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000030144642 202193806 /nfs/dbraw/zinc/19/38/06/202193806.db2.gz PGNZMZNXHNAGDS-ZDUSSCGKSA-N 1 1 333.436 0.946 50 0 ECAAMO COCCNC(=O)NC(=O)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030267783 202194500 /nfs/dbraw/zinc/19/45/00/202194500.db2.gz BCZRKLCTWMSOFD-UHFFFAOYSA-N 1 1 341.383 0.999 50 0 ECAAMO CCCn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1=O ZINC000032268227 202222134 /nfs/dbraw/zinc/22/21/34/202222134.db2.gz RUEILBLPTQRLSU-CQSZACIVSA-N 1 1 336.436 0.740 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)C3(C(=O)NC)CCC3)CC2)cn1 ZINC000069464161 202283151 /nfs/dbraw/zinc/28/31/51/202283151.db2.gz GMZFUHGKOAZEAH-UHFFFAOYSA-N 1 1 347.463 0.854 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)C3(C(=O)NC)CCC3)CC2)cn1 ZINC000069464161 202283154 /nfs/dbraw/zinc/28/31/54/202283154.db2.gz GMZFUHGKOAZEAH-UHFFFAOYSA-N 1 1 347.463 0.854 50 0 ECAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CCC(=O)N3CCOCC3)C2)nn1 ZINC000069929116 202299504 /nfs/dbraw/zinc/29/95/04/202299504.db2.gz CKUPGLNFZLYWFJ-MRXNPFEDSA-N 1 1 347.463 0.935 50 0 ECAAMO Cc1nc([C@H]2CCC[N@@H+](CCC(N)=O)C2)cc(N2CCOCC2)n1 ZINC000072433491 216228555 /nfs/dbraw/zinc/22/85/55/216228555.db2.gz CGSWERDOVYMKJO-AWEZNQCLSA-N 1 1 333.436 0.676 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC000229301341 201041447 /nfs/dbraw/zinc/04/14/47/201041447.db2.gz MBCVVXIZOKGJKK-QGZVFWFLSA-N 1 1 327.432 0.988 50 0 ECAAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000065496894 201154070 /nfs/dbraw/zinc/15/40/70/201154070.db2.gz LEZZNLKJGLEWTD-UHFFFAOYSA-N 1 1 346.479 0.501 50 0 ECAAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000065496894 201154073 /nfs/dbraw/zinc/15/40/73/201154073.db2.gz LEZZNLKJGLEWTD-UHFFFAOYSA-N 1 1 346.479 0.501 50 0 ECAAMO Cc1nc(NC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)nn1C(C)C ZINC000023478562 212380242 /nfs/dbraw/zinc/38/02/42/212380242.db2.gz RQPSFJCEFBKYHO-LBPRGKRZSA-N 1 1 337.428 0.486 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000023006442 212341789 /nfs/dbraw/zinc/34/17/89/212341789.db2.gz ODRNCGFYESIVSU-UHFFFAOYSA-N 1 1 335.360 0.192 50 0 ECAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000216270159 241178824 /nfs/dbraw/zinc/17/88/24/241178824.db2.gz DCAMFPLLLCWXIY-UHFFFAOYSA-N 1 1 328.372 0.141 50 0 ECAAMO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000242147474 243010058 /nfs/dbraw/zinc/01/00/58/243010058.db2.gz WSDQODVPQYDMQW-LBPRGKRZSA-N 1 1 341.433 0.032 50 0 ECAAMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)N3CCNC3=O)CC2)c1 ZINC000069617643 203026057 /nfs/dbraw/zinc/02/60/57/203026057.db2.gz SIMXAROKTHHGLE-AWEZNQCLSA-N 1 1 346.431 0.926 50 0 ECAAMO COc1ccccc1CCNC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000069652438 203031697 /nfs/dbraw/zinc/03/16/97/203031697.db2.gz CKOVFSNDFVRNQQ-HNNXBMFYSA-N 1 1 335.448 0.352 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000069653926 203032409 /nfs/dbraw/zinc/03/24/09/203032409.db2.gz VNRQLYPMSKGXAN-UHFFFAOYSA-N 1 1 337.468 0.920 50 0 ECAAMO Cc1cc(C)n2nc(CC(=O)N3CC[NH+](CC(C)(C)O)CC3)nc2n1 ZINC000069653062 203032556 /nfs/dbraw/zinc/03/25/56/203032556.db2.gz GBMPFMLGJXOFLN-UHFFFAOYSA-N 1 1 346.435 0.199 50 0 ECAAMO CCn1nc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c2ccccc2c1=O ZINC000069843156 203055545 /nfs/dbraw/zinc/05/55/45/203055545.db2.gz NYKJSZOXWHIEEU-ZDUSSCGKSA-N 1 1 344.415 0.555 50 0 ECAAMO C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738447 203041892 /nfs/dbraw/zinc/04/18/92/203041892.db2.gz DIBJKSBMBZZDBP-WMZOPIPTSA-N 1 1 346.475 0.819 50 0 ECAAMO O[C@@H](C[NH+]1CCN(C[C@H](O)Cn2cccn2)CC1)c1ccccc1 ZINC000069776642 203048543 /nfs/dbraw/zinc/04/85/43/203048543.db2.gz PFYGFCMSKQYITI-ROUUACIJSA-N 1 1 330.432 0.595 50 0 ECAAMO O[C@H](COc1ccccc1)C[NH+]1CCN(CCn2cncn2)CC1 ZINC000069925270 203063713 /nfs/dbraw/zinc/06/37/13/203063713.db2.gz HIZPUVONJWIHAK-INIZCTEOSA-N 1 1 331.420 0.336 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000069947348 203065400 /nfs/dbraw/zinc/06/54/00/203065400.db2.gz FUHDBFZAJYEHBR-MRXNPFEDSA-N 1 1 331.460 0.833 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000070016814 203070774 /nfs/dbraw/zinc/07/07/74/203070774.db2.gz MLZPFLZXKJXHMK-CYBMUJFWSA-N 1 1 325.840 0.955 50 0 ECAAMO O=C1CNC(=O)N1CC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000071801953 203115235 /nfs/dbraw/zinc/11/52/35/203115235.db2.gz RHGFSOIALFIZJC-UHFFFAOYSA-N 1 1 343.387 0.518 50 0 ECAAMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@@H]1CCCCO1)c(=O)n2C ZINC000071828200 203121868 /nfs/dbraw/zinc/12/18/68/203121868.db2.gz CONVTQRVZWESNU-ZDUSSCGKSA-N 1 1 349.435 0.325 50 0 ECAAMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071841788 203126678 /nfs/dbraw/zinc/12/66/78/203126678.db2.gz OMIHSAAIJKMBAY-ZDUSSCGKSA-N 1 1 342.399 0.387 50 0 ECAAMO C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877131 203134053 /nfs/dbraw/zinc/13/40/53/203134053.db2.gz YHRAHFTZQUDUKJ-VQIMIIECSA-N 1 1 333.476 0.404 50 0 ECAAMO C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877131 203134057 /nfs/dbraw/zinc/13/40/57/203134057.db2.gz YHRAHFTZQUDUKJ-VQIMIIECSA-N 1 1 333.476 0.404 50 0 ECAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)O1 ZINC000072147162 203171519 /nfs/dbraw/zinc/17/15/19/203171519.db2.gz YEZOMTLDHZVGCC-INIZCTEOSA-N 1 1 330.344 0.475 50 0 ECAAMO O=C1NC[C@]2(CCC[N@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)O1 ZINC000072147162 203171522 /nfs/dbraw/zinc/17/15/22/203171522.db2.gz YEZOMTLDHZVGCC-INIZCTEOSA-N 1 1 330.344 0.475 50 0 ECAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)O1 ZINC000072147163 203171548 /nfs/dbraw/zinc/17/15/48/203171548.db2.gz YEZOMTLDHZVGCC-MRXNPFEDSA-N 1 1 330.344 0.475 50 0 ECAAMO O=C1NC[C@@]2(CCC[N@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)O1 ZINC000072147163 203171552 /nfs/dbraw/zinc/17/15/52/203171552.db2.gz YEZOMTLDHZVGCC-MRXNPFEDSA-N 1 1 330.344 0.475 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1cnc2ccccn12 ZINC000072146574 203171583 /nfs/dbraw/zinc/17/15/83/203171583.db2.gz MOIXTUCWXBRPTN-HNNXBMFYSA-N 1 1 343.431 0.592 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1cnc2ccccn12 ZINC000072146574 203171587 /nfs/dbraw/zinc/17/15/87/203171587.db2.gz MOIXTUCWXBRPTN-HNNXBMFYSA-N 1 1 343.431 0.592 50 0 ECAAMO CCOc1ccc(C[N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)cc1CO ZINC000072162949 203177825 /nfs/dbraw/zinc/17/78/25/203177825.db2.gz HULQTRQDNQCCPO-INIZCTEOSA-N 1 1 333.432 0.630 50 0 ECAAMO CCOc1ccc(C[N@H+]2CCN[C@H](C(=O)NC3CC3)C2)cc1CO ZINC000072162949 203177827 /nfs/dbraw/zinc/17/78/27/203177827.db2.gz HULQTRQDNQCCPO-INIZCTEOSA-N 1 1 333.432 0.630 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCCN(Cc2cccnc2)CC1 ZINC000072481654 203233289 /nfs/dbraw/zinc/23/32/89/203233289.db2.gz FGYXRUDKNKWOKQ-KRWDZBQOSA-N 1 1 332.448 0.573 50 0 ECAAMO COc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)N(C)C)CC2)cn1 ZINC000072403464 203214408 /nfs/dbraw/zinc/21/44/08/203214408.db2.gz ACKMFUDOVUZVBN-UHFFFAOYSA-N 1 1 349.435 0.125 50 0 ECAAMO O=C([C@@H]1CCCO1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437304 203224375 /nfs/dbraw/zinc/22/43/75/203224375.db2.gz MDRHYGJKJNKWMR-AWEZNQCLSA-N 1 1 331.420 0.904 50 0 ECAAMO CN(C)C(=O)CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000075582745 203320007 /nfs/dbraw/zinc/32/00/07/203320007.db2.gz LOWGMSRUFPEXCI-MRXNPFEDSA-N 1 1 332.448 0.938 50 0 ECAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN1C(=O)CNC1=O ZINC000091411513 203633940 /nfs/dbraw/zinc/63/39/40/203633940.db2.gz PCFSCTMPUZTNTA-UHFFFAOYSA-N 1 1 327.344 0.349 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)[C@@H]1Cc2ccccc2O1 ZINC000106510303 204198500 /nfs/dbraw/zinc/19/85/00/204198500.db2.gz GSRFFQGDQHXCSN-JZXOWHBKSA-N 1 1 346.427 0.844 50 0 ECAAMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000170619940 206590120 /nfs/dbraw/zinc/59/01/20/206590120.db2.gz CRVZKAVVQDQGLO-NSHDSACASA-N 1 1 327.406 0.546 50 0 ECAAMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000170619940 206590125 /nfs/dbraw/zinc/59/01/25/206590125.db2.gz CRVZKAVVQDQGLO-NSHDSACASA-N 1 1 327.406 0.546 50 0 ECAAMO O=S(=O)(N1CCOCC1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450238007 211314379 /nfs/dbraw/zinc/31/43/79/211314379.db2.gz SPWHHLNCLIRSKP-UHFFFAOYSA-N 1 1 329.466 0.681 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1 ZINC000096101484 218595716 /nfs/dbraw/zinc/59/57/16/218595716.db2.gz GBOPRJSTVOPNEJ-AWEZNQCLSA-N 1 1 333.436 0.981 50 0 ECAAMO Cc1c(Cl)c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)nn1C ZINC000299776990 258087183 /nfs/dbraw/zinc/08/71/83/258087183.db2.gz GPAWJZHXYHTIDV-JTQLQIEISA-N 1 1 327.816 0.309 50 0 ECAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000299784310 258091611 /nfs/dbraw/zinc/09/16/11/258091611.db2.gz OWMPIKMWCRYBKT-KRWDZBQOSA-N 1 1 347.463 0.980 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCc1csc(-c2cnccn2)n1 ZINC000299795499 258099602 /nfs/dbraw/zinc/09/96/02/258099602.db2.gz MIHLAXQLXQBREB-CYBMUJFWSA-N 1 1 347.444 0.716 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCc1csc(-c2cnccn2)n1 ZINC000299795499 258099603 /nfs/dbraw/zinc/09/96/03/258099603.db2.gz MIHLAXQLXQBREB-CYBMUJFWSA-N 1 1 347.444 0.716 50 0 ECAAMO COc1cccc(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1OC ZINC000299800174 258103646 /nfs/dbraw/zinc/10/36/46/258103646.db2.gz VQLKZFKEQMXHRJ-GJZGRUSLSA-N 1 1 349.431 0.137 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@H]2C1 ZINC000285942102 264353289 /nfs/dbraw/zinc/35/32/89/264353289.db2.gz VRTRGCXAQIVGPD-JKSUJKDBSA-N 1 1 344.415 0.761 50 0 ECAAMO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010329327 273778890 /nfs/dbraw/zinc/77/88/90/273778890.db2.gz SBADJXZAFQMSLG-SNVBAGLBSA-N 1 1 334.380 0.320 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000069951920 277316548 /nfs/dbraw/zinc/31/65/48/277316548.db2.gz FEMUMXINKFWEBT-UHFFFAOYSA-N 1 1 343.431 0.855 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)cc2n1 ZINC000072148703 280450954 /nfs/dbraw/zinc/45/09/54/280450954.db2.gz WPBVUYJPURBLNI-CQSZACIVSA-N 1 1 342.403 0.039 50 0 ECAAMO O=S(=O)(NCC[N@@H+]1CCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000069617582 435949993 /nfs/dbraw/zinc/94/99/93/435949993.db2.gz QKETWNXUGGQJBY-CQSZACIVSA-N 1 1 335.433 0.721 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000069617582 435950001 /nfs/dbraw/zinc/95/00/01/435950001.db2.gz QKETWNXUGGQJBY-CQSZACIVSA-N 1 1 335.433 0.721 50 0 ECAAMO Cc1nc(CN2CCC[C@@H]([N@@H+](C)CCCNS(C)(=O)=O)C2)no1 ZINC000071870534 436022074 /nfs/dbraw/zinc/02/20/74/436022074.db2.gz XUXYBZRWEVHSHY-CYBMUJFWSA-N 1 1 345.469 0.214 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000071871044 436022697 /nfs/dbraw/zinc/02/26/97/436022697.db2.gz PJSQUNIDSHMKLC-NSHDSACASA-N 1 1 347.337 0.392 50 0 ECAAMO CN1C(=O)NC2(CC[NH+](CC(=O)NCCc3ccccc3)CC2)C1=O ZINC000008769264 436032502 /nfs/dbraw/zinc/03/25/02/436032502.db2.gz MOSHOBCGQWYOGX-UHFFFAOYSA-N 1 1 344.415 0.362 50 0 ECAAMO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)no1 ZINC000072253437 436037701 /nfs/dbraw/zinc/03/77/01/436037701.db2.gz LCTFGFZWNROWOR-AWEZNQCLSA-N 1 1 348.407 0.921 50 0 ECAAMO Cc1cc(NC(=O)CC[N@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)no1 ZINC000072253437 436037706 /nfs/dbraw/zinc/03/77/06/436037706.db2.gz LCTFGFZWNROWOR-AWEZNQCLSA-N 1 1 348.407 0.921 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCc1cc(N2CCCC2)ncn1 ZINC000072468221 436044714 /nfs/dbraw/zinc/04/47/14/436044714.db2.gz BEKUEBHNCZEQSM-AWEZNQCLSA-N 1 1 329.408 0.029 50 0 ECAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000012883142 436056229 /nfs/dbraw/zinc/05/62/29/436056229.db2.gz HUTPDMWPULGUGF-TXEJJXNPSA-N 1 1 341.433 0.772 50 0 ECAAMO C[C@H](c1cccs1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000014199404 436071238 /nfs/dbraw/zinc/07/12/38/436071238.db2.gz ARUVLAUUASCJAT-SECBINFHSA-N 1 1 336.417 0.603 50 0 ECAAMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000014199404 436071239 /nfs/dbraw/zinc/07/12/39/436071239.db2.gz ARUVLAUUASCJAT-SECBINFHSA-N 1 1 336.417 0.603 50 0 ECAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1C ZINC000014536414 436074088 /nfs/dbraw/zinc/07/40/88/436074088.db2.gz NGFXZVMAEDGJGB-BMFZPTHFSA-N 1 1 331.416 0.195 50 0 ECAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1C ZINC000014536414 436074094 /nfs/dbraw/zinc/07/40/94/436074094.db2.gz NGFXZVMAEDGJGB-BMFZPTHFSA-N 1 1 331.416 0.195 50 0 ECAAMO C[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000076053497 436187517 /nfs/dbraw/zinc/18/75/17/436187517.db2.gz NWFSOUCIBMYFDE-CABCVRRESA-N 1 1 333.436 0.848 50 0 ECAAMO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000077323055 436233851 /nfs/dbraw/zinc/23/38/51/436233851.db2.gz JLWLCQWCHFVLJO-GFCCVEGCSA-N 1 1 331.376 0.547 50 0 ECAAMO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000077323055 436233854 /nfs/dbraw/zinc/23/38/54/436233854.db2.gz JLWLCQWCHFVLJO-GFCCVEGCSA-N 1 1 331.376 0.547 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C)CC1 ZINC000076056659 436188485 /nfs/dbraw/zinc/18/84/85/436188485.db2.gz KPTKNUKZUFJFQM-KSSFIOAISA-N 1 1 344.459 0.770 50 0 ECAAMO CC(C)[C@@H](CNC(=O)Cn1nnc2ccccc21)[NH+]1CCOCC1 ZINC000041870770 436285931 /nfs/dbraw/zinc/28/59/31/436285931.db2.gz XUTANQHDUWSBQF-MRXNPFEDSA-N 1 1 331.420 0.904 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000040534693 436266758 /nfs/dbraw/zinc/26/67/58/436266758.db2.gz TWMZJLYYOZNMKT-ZDUSSCGKSA-N 1 1 346.435 0.368 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040534852 436267637 /nfs/dbraw/zinc/26/76/37/436267637.db2.gz CIGZHNGNPRBYSS-NWDGAFQWSA-N 1 1 348.432 0.234 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)o1 ZINC000078891989 436282070 /nfs/dbraw/zinc/28/20/70/436282070.db2.gz GFANKGHSHOPSTQ-AWEZNQCLSA-N 1 1 336.436 0.602 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)o1 ZINC000078891989 436282073 /nfs/dbraw/zinc/28/20/73/436282073.db2.gz GFANKGHSHOPSTQ-AWEZNQCLSA-N 1 1 336.436 0.602 50 0 ECAAMO O=C(NCCc1ccccn1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042963120 436324617 /nfs/dbraw/zinc/32/46/17/436324617.db2.gz ATJVOLMPWNGJOW-RDJZCZTQSA-N 1 1 348.447 0.661 50 0 ECAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)N3CCN(C)CC3)cc2C1 ZINC000082109420 436362275 /nfs/dbraw/zinc/36/22/75/436362275.db2.gz OQJOBRMVMCTOCJ-UHFFFAOYSA-N 1 1 334.468 0.812 50 0 ECAAMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)nn1 ZINC000084191755 436378433 /nfs/dbraw/zinc/37/84/33/436378433.db2.gz ATGJCPRQGGNWRX-ZDUSSCGKSA-N 1 1 346.435 0.674 50 0 ECAAMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)nn1 ZINC000084191755 436378439 /nfs/dbraw/zinc/37/84/39/436378439.db2.gz ATGJCPRQGGNWRX-ZDUSSCGKSA-N 1 1 346.435 0.674 50 0 ECAAMO CC[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000084735861 436383954 /nfs/dbraw/zinc/38/39/54/436383954.db2.gz JGVIHXYRPDACOE-OWCLPIDISA-N 1 1 326.437 0.751 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000046796534 436399439 /nfs/dbraw/zinc/39/94/39/436399439.db2.gz UTMFCRFVEZYDHZ-UHFFFAOYSA-N 1 1 341.415 0.481 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000089311964 436407660 /nfs/dbraw/zinc/40/76/60/436407660.db2.gz NZKZQDGVQUCDOX-UHFFFAOYSA-N 1 1 342.447 0.863 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000089311964 436407663 /nfs/dbraw/zinc/40/76/63/436407663.db2.gz NZKZQDGVQUCDOX-UHFFFAOYSA-N 1 1 342.447 0.863 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044941717 436354867 /nfs/dbraw/zinc/35/48/67/436354867.db2.gz XDQBIOXGTPEDHZ-JKSUJKDBSA-N 1 1 341.415 0.925 50 0 ECAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(CC(=O)NC)CC1 ZINC000091304782 436448564 /nfs/dbraw/zinc/44/85/64/436448564.db2.gz UBPXUSBWDURTIK-UHFFFAOYSA-N 1 1 345.451 0.777 50 0 ECAAMO CCn1nc(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c2ccccc21 ZINC000091547778 436451910 /nfs/dbraw/zinc/45/19/10/436451910.db2.gz DDCPBVLMQSTWGO-ZDUSSCGKSA-N 1 1 343.431 0.870 50 0 ECAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)C1=O ZINC000091617109 436455603 /nfs/dbraw/zinc/45/56/03/436455603.db2.gz QIKNVTYHINWAEN-KRWDZBQOSA-N 1 1 349.435 0.320 50 0 ECAAMO CCN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC1=O ZINC000091933176 436464508 /nfs/dbraw/zinc/46/45/08/436464508.db2.gz WBQJZUCXZGKBNO-HNNXBMFYSA-N 1 1 330.432 0.984 50 0 ECAAMO CCN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC1=O ZINC000091933176 436464512 /nfs/dbraw/zinc/46/45/12/436464512.db2.gz WBQJZUCXZGKBNO-HNNXBMFYSA-N 1 1 330.432 0.984 50 0 ECAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c(=O)[nH]c1C ZINC000091915299 436465376 /nfs/dbraw/zinc/46/53/76/436465376.db2.gz MXXUCMMMCZPIAE-SFHVURJKSA-N 1 1 346.431 0.418 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000089741293 436416523 /nfs/dbraw/zinc/41/65/23/436416523.db2.gz CDBUGBRVBNAFBB-OAHLLOKOSA-N 1 1 346.479 0.821 50 0 ECAAMO C[C@H](CNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C[NH+]1CCOCC1 ZINC000089900805 436418678 /nfs/dbraw/zinc/41/86/78/436418678.db2.gz OHQWEIFLGJHFEB-CVEARBPZSA-N 1 1 349.479 0.962 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000089939041 436422189 /nfs/dbraw/zinc/42/21/89/436422189.db2.gz YKCKRELZOHVMMQ-CQSZACIVSA-N 1 1 335.448 0.998 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)COC)C[N@@H+]1Cc1sccc1C ZINC000096133386 436515634 /nfs/dbraw/zinc/51/56/34/436515634.db2.gz HLIZDBCMXPCHQV-STQMWFEESA-N 1 1 339.461 0.898 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)COC)C[N@H+]1Cc1sccc1C ZINC000096133386 436515636 /nfs/dbraw/zinc/51/56/36/436515636.db2.gz HLIZDBCMXPCHQV-STQMWFEESA-N 1 1 339.461 0.898 50 0 ECAAMO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000050990769 436480624 /nfs/dbraw/zinc/48/06/24/436480624.db2.gz CUOIIBAUKFXKGB-QMMMGPOBSA-N 1 1 338.330 0.364 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)c3ccn[nH]3)CC[N@H+]2C)CCC1=O ZINC000095362923 436491297 /nfs/dbraw/zinc/49/12/97/436491297.db2.gz PYKGTLBCVOKLDO-QGZVFWFLSA-N 1 1 349.435 0.195 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)c3cc[nH]n3)CC[N@@H+]2C)CCC1=O ZINC000095362923 436491300 /nfs/dbraw/zinc/49/13/00/436491300.db2.gz PYKGTLBCVOKLDO-QGZVFWFLSA-N 1 1 349.435 0.195 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)c3cc[nH]n3)CC[N@H+]2C)CCC1=O ZINC000095362923 436491302 /nfs/dbraw/zinc/49/13/02/436491302.db2.gz PYKGTLBCVOKLDO-QGZVFWFLSA-N 1 1 349.435 0.195 50 0 ECAAMO Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3C[N@H+]2C)cc(=O)[nH]1 ZINC000095367550 436491321 /nfs/dbraw/zinc/49/13/21/436491321.db2.gz GCLSRYVWFJBNID-MRXNPFEDSA-N 1 1 326.400 0.794 50 0 ECAAMO Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)cc(=O)[nH]1 ZINC000095367550 436491323 /nfs/dbraw/zinc/49/13/23/436491323.db2.gz GCLSRYVWFJBNID-MRXNPFEDSA-N 1 1 326.400 0.794 50 0 ECAAMO O=C(Cc1nc2ncccn2n1)NCC[N@@H+]1CCc2sccc2C1 ZINC000053269783 436526259 /nfs/dbraw/zinc/52/62/59/436526259.db2.gz OLKQFGXKNJHPMF-UHFFFAOYSA-N 1 1 342.428 0.903 50 0 ECAAMO O=C(Cc1nc2ncccn2n1)NCC[N@H+]1CCc2sccc2C1 ZINC000053269783 436526263 /nfs/dbraw/zinc/52/62/63/436526263.db2.gz OLKQFGXKNJHPMF-UHFFFAOYSA-N 1 1 342.428 0.903 50 0 ECAAMO CCSc1ncc(CN2CC[NH+](CCn3cncn3)CC2)cn1 ZINC000097797577 436543745 /nfs/dbraw/zinc/54/37/45/436543745.db2.gz VUEAQUKBBRAGRA-UHFFFAOYSA-N 1 1 333.465 0.998 50 0 ECAAMO CC(C)c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(=O)[nH]1 ZINC000097660344 436544830 /nfs/dbraw/zinc/54/48/30/436544830.db2.gz NHEKFIYDWCAHOJ-GFCCVEGCSA-N 1 1 334.420 0.425 50 0 ECAAMO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000054583665 436555097 /nfs/dbraw/zinc/55/50/97/436555097.db2.gz QHOHREGWOLDPQW-INIZCTEOSA-N 1 1 331.416 0.784 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000055118149 436567174 /nfs/dbraw/zinc/56/71/74/436567174.db2.gz LEOJEJLWOHUBQG-DZGCQCFKSA-N 1 1 347.390 0.693 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2c[nH]nc2-c2cccs2)C1 ZINC000055153520 436567726 /nfs/dbraw/zinc/56/77/26/436567726.db2.gz PTMXPHPVWCWFQZ-NSHDSACASA-N 1 1 347.444 0.952 50 0 ECAAMO CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cn1 ZINC000058370940 436624662 /nfs/dbraw/zinc/62/46/62/436624662.db2.gz MHTCXLKSXARWIF-UHFFFAOYSA-N 1 1 348.495 0.973 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000106868006 436602817 /nfs/dbraw/zinc/60/28/17/436602817.db2.gz HVBDYVWBCTUZNC-CVEARBPZSA-N 1 1 349.475 0.741 50 0 ECAAMO CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106867581 436604075 /nfs/dbraw/zinc/60/40/75/436604075.db2.gz DGNMPNTZJMXLGQ-QWHCGFSZSA-N 1 1 342.440 0.674 50 0 ECAAMO COC(=O)[C@]12CN(C)C[C@H]1C[N@@H+](CC(C)(C)N1CCOCC1)C2 ZINC000063871656 436647379 /nfs/dbraw/zinc/64/73/79/436647379.db2.gz LOPYOYOILJWCML-YOEHRIQHSA-N 1 1 325.453 0.134 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000065417362 436659554 /nfs/dbraw/zinc/65/95/54/436659554.db2.gz MSSCVDUCJKTTDE-AWEZNQCLSA-N 1 1 338.383 0.108 50 0 ECAAMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000065404073 436657438 /nfs/dbraw/zinc/65/74/38/436657438.db2.gz HADITGXXNAFZOW-ZDUSSCGKSA-N 1 1 347.415 0.879 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)Nc3cccnc3)C[C@@H]2C)CC1 ZINC000229306186 436715020 /nfs/dbraw/zinc/71/50/20/436715020.db2.gz UOUFKVGLQCWGMJ-WMLDXEAASA-N 1 1 345.447 0.505 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)Nc3cccnc3)C[C@@H]2C)CC1 ZINC000229306186 436715023 /nfs/dbraw/zinc/71/50/23/436715023.db2.gz UOUFKVGLQCWGMJ-WMLDXEAASA-N 1 1 345.447 0.505 50 0 ECAAMO CC[N@@H+](C)CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 ZINC000222745766 436703693 /nfs/dbraw/zinc/70/36/93/436703693.db2.gz WHWBEHXUYIFWGQ-HUUCEWRRSA-N 1 1 335.404 0.390 50 0 ECAAMO COc1nccnc1O[C@H]1CCCN(C(=O)N2CC[NH+](C)CC2)C1 ZINC000225496337 436711774 /nfs/dbraw/zinc/71/17/74/436711774.db2.gz UCYZDDZXTORJJE-ZDUSSCGKSA-N 1 1 335.408 0.696 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCNC(=O)C2)nc1 ZINC000067675822 436720329 /nfs/dbraw/zinc/72/03/29/436720329.db2.gz ZPNBFHQBSKFGAZ-HNNXBMFYSA-N 1 1 345.447 0.622 50 0 ECAAMO CCc1cc(N2CC[N@H+](C)[C@H](C(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000067677926 436720400 /nfs/dbraw/zinc/72/04/00/436720400.db2.gz KFQDGWYOTBSQGY-ZDUSSCGKSA-N 1 1 335.408 0.081 50 0 ECAAMO CCc1cc(N2CC[N@@H+](C)[C@H](C(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000067677926 436720404 /nfs/dbraw/zinc/72/04/04/436720404.db2.gz KFQDGWYOTBSQGY-ZDUSSCGKSA-N 1 1 335.408 0.081 50 0 ECAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000067740574 436722607 /nfs/dbraw/zinc/72/26/07/436722607.db2.gz NZCWDRJSPMNMBE-CYBMUJFWSA-N 1 1 333.436 0.835 50 0 ECAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000067740574 436722610 /nfs/dbraw/zinc/72/26/10/436722610.db2.gz NZCWDRJSPMNMBE-CYBMUJFWSA-N 1 1 333.436 0.835 50 0 ECAAMO CCc1noc(-c2ccc(CCNC(=O)[C@H]3COCC[NH2+]3)cc2)n1 ZINC000237076031 436722619 /nfs/dbraw/zinc/72/26/19/436722619.db2.gz FIJVRXOKSLJZIP-CQSZACIVSA-N 1 1 330.388 0.946 50 0 ECAAMO CC(C)(C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)N1CCOCC1 ZINC000067756126 436722704 /nfs/dbraw/zinc/72/27/04/436722704.db2.gz WGULFDKMCUYJLD-AWEZNQCLSA-N 1 1 333.498 0.358 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1nc3ccccc3[nH]1)CC2 ZINC000067783972 436723449 /nfs/dbraw/zinc/72/34/49/436723449.db2.gz VUNFSYHMYCNRFS-UHFFFAOYSA-N 1 1 341.415 0.989 50 0 ECAAMO C[N@H+]1CCC[C@@H](C(=O)NCc2nnc3ccc(N4CCCC4)nn32)C1 ZINC000238886851 436758216 /nfs/dbraw/zinc/75/82/16/436758216.db2.gz QDHXSMGCBQPOSZ-CYBMUJFWSA-N 1 1 343.435 0.683 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000242167717 436759820 /nfs/dbraw/zinc/75/98/20/436759820.db2.gz WYXNDKNAVAAGQT-HZSPNIEDSA-N 1 1 331.482 0.457 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000246043737 436771898 /nfs/dbraw/zinc/77/18/98/436771898.db2.gz SJUAEIOLFBXSRM-JKSUJKDBSA-N 1 1 345.509 0.455 50 0 ECAAMO Cc1ccc([C@@H](CNS(=O)(=O)N2CCOCC2)[NH+]2CCCC2)o1 ZINC000069416941 436773274 /nfs/dbraw/zinc/77/32/74/436773274.db2.gz NRMMNHRHMHVNHD-CQSZACIVSA-N 1 1 343.449 0.892 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247547831 436795831 /nfs/dbraw/zinc/79/58/31/436795831.db2.gz UZLLIXKKQFZRTH-OCCSQVGLSA-N 1 1 329.466 0.401 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000248146531 436800978 /nfs/dbraw/zinc/80/09/78/436800978.db2.gz SAROCVBGUHXCGY-INIZCTEOSA-N 1 1 330.432 0.063 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2C)CC1 ZINC000257366089 436877257 /nfs/dbraw/zinc/87/72/57/436877257.db2.gz IMIWBHWFVALGMX-KBAYOESNSA-N 1 1 349.479 0.119 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)CC1 ZINC000257366412 436877262 /nfs/dbraw/zinc/87/72/62/436877262.db2.gz WZWSEQRNUKMNGF-NVXWUHKLSA-N 1 1 336.480 0.483 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000162697959 436909842 /nfs/dbraw/zinc/90/98/42/436909842.db2.gz OLPJWCXNFVWSHM-CQSZACIVSA-N 1 1 325.453 0.957 50 0 ECAAMO Nc1ccc(N[C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)c[nH+]1 ZINC000170602103 436945974 /nfs/dbraw/zinc/94/59/74/436945974.db2.gz BSWNKLXHKNOIKT-NSHDSACASA-N 1 1 328.376 0.854 50 0 ECAAMO CCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000299754186 437109615 /nfs/dbraw/zinc/10/96/15/437109615.db2.gz MWWMQKXJNCQHFF-DJIMGWMZSA-N 1 1 327.469 0.258 50 0 ECAAMO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000192074945 437664917 /nfs/dbraw/zinc/66/49/17/437664917.db2.gz CSWQXJNIHJFKFI-MRXNPFEDSA-N 1 1 339.399 0.323 50 0 ECAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000192074945 437664920 /nfs/dbraw/zinc/66/49/20/437664920.db2.gz CSWQXJNIHJFKFI-MRXNPFEDSA-N 1 1 339.399 0.323 50 0 ECAAMO O=C(Cc1c[nH]c(=O)[nH]c1=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000426376570 438055152 /nfs/dbraw/zinc/05/51/52/438055152.db2.gz URLPTLBJXUWPMU-UHFFFAOYSA-N 1 1 328.372 0.605 50 0 ECAAMO c1cnn(CCC[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)c1 ZINC000426621572 438068328 /nfs/dbraw/zinc/06/83/28/438068328.db2.gz GYNOBDVETVOIQZ-UHFFFAOYSA-N 1 1 338.419 1.388 50 0 ECAAMO COc1nc2ccccc2nc1CCC(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000426635510 438068782 /nfs/dbraw/zinc/06/87/82/438068782.db2.gz RBASRTHZEQBMDI-OLZOCXBDSA-N 1 1 344.415 0.752 50 0 ECAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426604697 438069154 /nfs/dbraw/zinc/06/91/54/438069154.db2.gz ZLSYVNNWXXODGM-LBPRGKRZSA-N 1 1 328.438 0.637 50 0 ECAAMO C[C@H](O)C[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@@H]1C ZINC000588080562 438816973 /nfs/dbraw/zinc/81/69/73/438816973.db2.gz HONCRPNMOVYTPM-KKUMJFAQSA-N 1 1 349.479 0.601 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@@H]1C ZINC000588080562 438816977 /nfs/dbraw/zinc/81/69/77/438816977.db2.gz HONCRPNMOVYTPM-KKUMJFAQSA-N 1 1 349.479 0.601 50 0 ECAAMO CO[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2COC[C@H]2O)N(C(=O)OC(C)(C)C)C1 ZINC000583650750 439495251 /nfs/dbraw/zinc/49/52/51/439495251.db2.gz AGLNWIJICHPWPP-AAVRWANBSA-N 1 1 330.425 0.702 50 0 ECAAMO COc1ncc(Br)cc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000628795680 440550530 /nfs/dbraw/zinc/55/05/30/440550530.db2.gz IRZOYKPPHMNHED-NSHDSACASA-N 1 1 344.209 0.800 50 0 ECAAMO COc1ncc(Br)cc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000628795680 440550532 /nfs/dbraw/zinc/55/05/32/440550532.db2.gz IRZOYKPPHMNHED-NSHDSACASA-N 1 1 344.209 0.800 50 0 ECAAMO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(N)=O ZINC000646550346 441071924 /nfs/dbraw/zinc/07/19/24/441071924.db2.gz FRUHGKTYFGXPJJ-FVQBIDKESA-N 1 1 330.432 0.150 50 0 ECAAMO O[C@H]1C[C@@H](c2cc(N3CC[NH+](CCn4cncn4)CC3)ncn2)C1 ZINC000244899656 545936359 /nfs/dbraw/zinc/93/63/59/545936359.db2.gz ZNKXARDHQIDAIU-OKILXGFUSA-N 1 1 329.408 0.129 50 0 ECAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000585094190 546287696 /nfs/dbraw/zinc/28/76/96/546287696.db2.gz NRJKDGZSEHLWHA-ZIAGYGMSSA-N 1 1 338.452 0.897 50 0 ECAAMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058818 590053290 /nfs/dbraw/zinc/05/32/90/590053290.db2.gz VVVQJOTYDQDIGH-HOTGVXAUSA-N 1 1 334.464 0.985 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(c2nc(CO)cs2)C[C@@H]1CO ZINC000091645685 612910623 /nfs/dbraw/zinc/91/06/23/612910623.db2.gz YECQHKNMMDBFKR-CHWSQXEVSA-N 1 1 328.482 0.174 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(c2nc(CO)cs2)C[C@@H]1CO ZINC000091645685 612910624 /nfs/dbraw/zinc/91/06/24/612910624.db2.gz YECQHKNMMDBFKR-CHWSQXEVSA-N 1 1 328.482 0.174 50 0 ECAAMO CN(CC(=O)NC1CC1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)N1 ZINC000675017956 741332737 /nfs/dbraw/zinc/33/27/37/741332737.db2.gz QUXWAIQWPIBWCG-AWEZNQCLSA-N 1 1 345.447 0.820 50 0 ECAAMO CN(CC(=O)NC1CC1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)[NH2+]1 ZINC000675017956 741332741 /nfs/dbraw/zinc/33/27/41/741332741.db2.gz QUXWAIQWPIBWCG-AWEZNQCLSA-N 1 1 345.447 0.820 50 0 ECAAMO Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1C ZINC000019727872 202016174 /nfs/dbraw/zinc/01/61/74/202016174.db2.gz PBDPKXZIMMQJDC-OAHLLOKOSA-N 1 1 343.431 0.734 50 0 ECAAMO COc1ccc2c(c1)C=C(C[N@H+]1C[C@H](O)[C@@H](N3CCOCC3)C1)CO2 ZINC000023360592 202103239 /nfs/dbraw/zinc/10/32/39/202103239.db2.gz NJAQOQQLSCTVHM-ROUUACIJSA-N 1 1 346.427 0.848 50 0 ECAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C(N)=O)CC1 ZINC000024989297 202124822 /nfs/dbraw/zinc/12/48/22/202124822.db2.gz CKWLRVHWMOKICD-VIFPVBQESA-N 1 1 331.376 0.381 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CCCN(CCn2c3ccccc3oc2=O)CC1 ZINC000029851113 202191283 /nfs/dbraw/zinc/19/12/83/202191283.db2.gz QLWLSLWOSUJHCW-UHFFFAOYSA-N 1 1 346.431 0.690 50 0 ECAAMO CN(C)C(=O)CN1CCC[N@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000029851113 202191284 /nfs/dbraw/zinc/19/12/84/202191284.db2.gz QLWLSLWOSUJHCW-UHFFFAOYSA-N 1 1 346.431 0.690 50 0 ECAAMO CN(C)C(=O)CN1CCC[N@@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000029851113 202191288 /nfs/dbraw/zinc/19/12/88/202191288.db2.gz QLWLSLWOSUJHCW-UHFFFAOYSA-N 1 1 346.431 0.690 50 0 ECAAMO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2ncccc2C(N)=O)C1 ZINC000095511313 283297130 /nfs/dbraw/zinc/29/71/30/283297130.db2.gz NXJNBVDDQOKRDN-LLVKDONJSA-N 1 1 328.376 0.246 50 0 ECAAMO O=C(CC[N@@H+]1CCO[C@H](Cn2cncn2)C1)N1CCc2ccccc21 ZINC000069976392 202299846 /nfs/dbraw/zinc/29/98/46/202299846.db2.gz XIFXKDFGNUPIQQ-INIZCTEOSA-N 1 1 341.415 0.958 50 0 ECAAMO O=C(CC[N@H+]1CCO[C@H](Cn2cncn2)C1)N1CCc2ccccc21 ZINC000069976392 202299848 /nfs/dbraw/zinc/29/98/48/202299848.db2.gz XIFXKDFGNUPIQQ-INIZCTEOSA-N 1 1 341.415 0.958 50 0 ECAAMO Cc1ccc(N2CCC[C@H]([N@@H+](C)CCCS(N)(=O)=O)C2)nn1 ZINC000069779520 202292846 /nfs/dbraw/zinc/29/28/46/202292846.db2.gz SYNZYUJCOUVJHV-ZDUSSCGKSA-N 1 1 327.454 0.364 50 0 ECAAMO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@@H](C)O1 ZINC000222196277 201033194 /nfs/dbraw/zinc/03/31/94/201033194.db2.gz NSACEAVOLYUGBM-KFWWJZLASA-N 1 1 349.479 0.371 50 0 ECAAMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000220669711 241450544 /nfs/dbraw/zinc/45/05/44/241450544.db2.gz BULFOLHCDROBIB-CYBMUJFWSA-N 1 1 340.449 0.054 50 0 ECAAMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000220669711 241450552 /nfs/dbraw/zinc/45/05/52/241450552.db2.gz BULFOLHCDROBIB-CYBMUJFWSA-N 1 1 340.449 0.054 50 0 ECAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795518 242200212 /nfs/dbraw/zinc/20/02/12/242200212.db2.gz RCCLQVGRYYQGBW-HZSPNIEDSA-N 1 1 346.497 0.186 50 0 ECAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795518 242200214 /nfs/dbraw/zinc/20/02/14/242200214.db2.gz RCCLQVGRYYQGBW-HZSPNIEDSA-N 1 1 346.497 0.186 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCN(c2cnccn2)C[C@H]1O ZINC000243902033 243031932 /nfs/dbraw/zinc/03/19/32/243031932.db2.gz BFGAIPMXGZDXRB-ZIAGYGMSSA-N 1 1 344.419 0.382 50 0 ECAAMO CSCc1noc(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000244828538 243088277 /nfs/dbraw/zinc/08/82/77/243088277.db2.gz TYBGEUSAKAHSDN-UHFFFAOYSA-N 1 1 339.465 0.719 50 0 ECAAMO CC(C)[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000069451870 203002248 /nfs/dbraw/zinc/00/22/48/203002248.db2.gz IDECVDGCWRMJOI-UHFFFAOYSA-N 1 1 327.450 0.764 50 0 ECAAMO CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069632257 203030122 /nfs/dbraw/zinc/03/01/22/203030122.db2.gz XMHCLWMKXFPGPJ-JYJNAYRXSA-N 1 1 328.453 0.732 50 0 ECAAMO Cc1cc(NC(=O)CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n(C)n1 ZINC000069778634 203050686 /nfs/dbraw/zinc/05/06/86/203050686.db2.gz GJQCGKPQAZZTFR-CQSZACIVSA-N 1 1 337.468 0.692 50 0 ECAAMO Cc1ccc2ncc(C(=O)N[C@H](C)CC[NH+]3CCOCC3)c(=O)n2c1 ZINC000069876465 203059582 /nfs/dbraw/zinc/05/95/82/203059582.db2.gz OLSJACXYRRFBOO-CQSZACIVSA-N 1 1 344.415 0.844 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000069951576 203064869 /nfs/dbraw/zinc/06/48/69/203064869.db2.gz MFUDUEMZZJJKNB-CQSZACIVSA-N 1 1 347.415 0.900 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000071834646 203124168 /nfs/dbraw/zinc/12/41/68/203124168.db2.gz PTJRTTAIJIEYSM-UHFFFAOYSA-N 1 1 339.399 0.823 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccccc2F)CC1 ZINC000071862820 203131065 /nfs/dbraw/zinc/13/10/65/203131065.db2.gz LCBZMOWJUJGQPZ-INIZCTEOSA-N 1 1 335.423 0.927 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000071881085 203134677 /nfs/dbraw/zinc/13/46/77/203134677.db2.gz KSBBVDULHQQYRQ-QGZVFWFLSA-N 1 1 343.431 0.855 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000071881999 203135526 /nfs/dbraw/zinc/13/55/26/203135526.db2.gz UNRWBBQGECWYFY-OAGGEKHMSA-N 1 1 336.436 0.065 50 0 ECAAMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000071920359 203150590 /nfs/dbraw/zinc/15/05/90/203150590.db2.gz DCJPCGDBHFKIJD-VIFPVBQESA-N 1 1 345.321 0.879 50 0 ECAAMO O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2Cn2cccn2)CCN1 ZINC000072166833 203178725 /nfs/dbraw/zinc/17/87/25/203178725.db2.gz VULVBVGURJCGBN-SFHVURJKSA-N 1 1 339.443 0.984 50 0 ECAAMO O=C(NC1CC1)[C@@H]1CN(Cc2ccccc2Cn2cccn2)CC[NH2+]1 ZINC000072166833 203178728 /nfs/dbraw/zinc/17/87/28/203178728.db2.gz VULVBVGURJCGBN-SFHVURJKSA-N 1 1 339.443 0.984 50 0 ECAAMO OCC(CO)[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072170055 203180374 /nfs/dbraw/zinc/18/03/74/203180374.db2.gz OOBRLGZJMWMTJI-KFKAGJAMSA-N 1 1 346.427 0.631 50 0 ECAAMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000040540505 203373694 /nfs/dbraw/zinc/37/36/94/203373694.db2.gz MFTXATLEIAKZJP-UHFFFAOYSA-N 1 1 332.404 0.395 50 0 ECAAMO CC(C)CN(C)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077438065 203388688 /nfs/dbraw/zinc/38/86/88/203388688.db2.gz GAMADVYNNQPBJP-QWHCGFSZSA-N 1 1 339.465 0.144 50 0 ECAAMO Cc1cnc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cn1 ZINC000097711655 203960302 /nfs/dbraw/zinc/96/03/02/203960302.db2.gz ISWZXEYGLIYUQR-UHFFFAOYSA-N 1 1 341.419 0.565 50 0 ECAAMO CCCC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000044891742 204309118 /nfs/dbraw/zinc/30/91/18/204309118.db2.gz KZDPNQDPKCMRTN-UHFFFAOYSA-N 1 1 325.434 0.955 50 0 ECAAMO C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000159334846 206238425 /nfs/dbraw/zinc/23/84/25/206238425.db2.gz MDMFDJBYHSVMMX-MRXNPFEDSA-N 1 1 348.495 0.941 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2ccc(O)cc2)C[C@@H]1CO ZINC000091461377 218009910 /nfs/dbraw/zinc/00/99/10/218009910.db2.gz XDCDFKGUJCAHCO-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)Cc2ccc(O)cc2)C[C@@H]1CO ZINC000091461377 218009912 /nfs/dbraw/zinc/00/99/12/218009912.db2.gz XDCDFKGUJCAHCO-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO C[NH+]1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 ZINC000012025709 207062005 /nfs/dbraw/zinc/06/20/05/207062005.db2.gz CMGLBVAHJREJEN-UHFFFAOYSA-N 1 1 337.401 0.141 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2cccc(OCc3nnnn3C)c2)CC1 ZINC000096192606 218661024 /nfs/dbraw/zinc/66/10/24/218661024.db2.gz FWRURMZUCVQUBU-UHFFFAOYSA-N 1 1 330.392 0.567 50 0 ECAAMO Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2 ZINC000299777199 258087012 /nfs/dbraw/zinc/08/70/12/258087012.db2.gz KAFXVEPVQHQQPI-AWEZNQCLSA-N 1 1 347.463 0.621 50 0 ECAAMO OCCOc1cccc(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299777821 258087802 /nfs/dbraw/zinc/08/78/02/258087802.db2.gz OSDLFUXXYJOYMW-DLBZAZTESA-N 1 1 330.388 0.995 50 0 ECAAMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000245400189 165104895 /nfs/dbraw/zinc/10/48/95/165104895.db2.gz BPUJENPFEWMECC-GJZGRUSLSA-N 1 1 328.453 0.876 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000070021560 276596641 /nfs/dbraw/zinc/59/66/41/276596641.db2.gz AQJUICNEMJBJMC-WMZOPIPTSA-N 1 1 345.443 0.879 50 0 ECAAMO Cc1nc(N)nc(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077353662 293290337 /nfs/dbraw/zinc/29/03/37/293290337.db2.gz MURABIXLLQXMTD-OAHLLOKOSA-N 1 1 347.463 0.931 50 0 ECAAMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000332981639 297096549 /nfs/dbraw/zinc/09/65/49/297096549.db2.gz OBUZQLGZAUZDJO-XUWVNRHRSA-N 1 1 341.452 0.685 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CCCCN2C(C)=O)CC1 ZINC000070040853 435986360 /nfs/dbraw/zinc/98/63/60/435986360.db2.gz URIKUYSDJYHQQU-CVEARBPZSA-N 1 1 325.453 0.693 50 0 ECAAMO C[C@H](O)C[NH+]1CCC(CNCc2nnnn2-c2ccccc2)CC1 ZINC000071870978 436022407 /nfs/dbraw/zinc/02/24/07/436022407.db2.gz WFQDFKCWSQUHIG-AWEZNQCLSA-N 1 1 330.436 0.845 50 0 ECAAMO C[C@]1([C@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)NC(=O)NC1=O ZINC000072300707 436041402 /nfs/dbraw/zinc/04/14/02/436041402.db2.gz DHQNGBNXJQABCL-KBXCAEBGSA-N 1 1 344.415 0.613 50 0 ECAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1)c1ccco1 ZINC000072300672 436042180 /nfs/dbraw/zinc/04/21/80/436042180.db2.gz MLIJFGBHRYPIKM-NVGCLXPQSA-N 1 1 348.403 0.767 50 0 ECAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)C3=NN(C)C(=O)CC3)C2)CC1 ZINC000012075607 436047185 /nfs/dbraw/zinc/04/71/85/436047185.db2.gz HQUACAGUKXQZJK-ZDUSSCGKSA-N 1 1 335.452 0.269 50 0 ECAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)C3=NN(C)C(=O)CC3)C2)CC1 ZINC000012075607 436047190 /nfs/dbraw/zinc/04/71/90/436047190.db2.gz HQUACAGUKXQZJK-ZDUSSCGKSA-N 1 1 335.452 0.269 50 0 ECAAMO CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011873428 436048968 /nfs/dbraw/zinc/04/89/68/436048968.db2.gz ANYUCDVJJIWGSH-OAHLLOKOSA-N 1 1 333.436 0.544 50 0 ECAAMO CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000012431348 436051412 /nfs/dbraw/zinc/05/14/12/436051412.db2.gz UMPMVNYQAZGTEQ-HNNXBMFYSA-N 1 1 347.463 0.995 50 0 ECAAMO COc1ccc(C)c(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000018115569 436103050 /nfs/dbraw/zinc/10/30/50/436103050.db2.gz DLMAFKURAKWGSI-OAHLLOKOSA-N 1 1 345.399 0.833 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000019799309 436109321 /nfs/dbraw/zinc/10/93/21/436109321.db2.gz OGSKDEVQXZXLQH-UHFFFAOYSA-N 1 1 344.419 0.278 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000074658543 436137275 /nfs/dbraw/zinc/13/72/75/436137275.db2.gz BRDKGNCHRNMQDG-OAGGEKHMSA-N 1 1 326.485 0.863 50 0 ECAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000025300723 436150676 /nfs/dbraw/zinc/15/06/76/436150676.db2.gz XDETYJKTSNMHGF-QGZVFWFLSA-N 1 1 347.459 0.631 50 0 ECAAMO COCCOc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000075606423 436167492 /nfs/dbraw/zinc/16/74/92/436167492.db2.gz HCRLZKSMEJGOFI-CVEARBPZSA-N 1 1 349.431 0.778 50 0 ECAAMO C[C@](O)(CNC(=O)[C@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000076092366 436191608 /nfs/dbraw/zinc/19/16/08/436191608.db2.gz SCVBSPLZOBWYDC-YJBOKZPZSA-N 1 1 334.416 0.752 50 0 ECAAMO C[NH+]1CCN(C(=O)C2CCN(c3cc(C(N)=O)ccn3)CC2)CC1 ZINC000078393945 436266979 /nfs/dbraw/zinc/26/69/79/436266979.db2.gz WVBAIMWZGROIQH-UHFFFAOYSA-N 1 1 331.420 0.171 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000041442376 436278367 /nfs/dbraw/zinc/27/83/67/436278367.db2.gz UOVFFBHHCHOUOB-UHFFFAOYSA-N 1 1 346.431 0.775 50 0 ECAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000044911439 436352093 /nfs/dbraw/zinc/35/20/93/436352093.db2.gz KJWUIFACXXMIOV-CABCVRRESA-N 1 1 348.399 0.882 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044917209 436353586 /nfs/dbraw/zinc/35/35/86/436353586.db2.gz FVAJKWKVNNPTHQ-LBPRGKRZSA-N 1 1 327.388 0.392 50 0 ECAAMO CNC(=O)c1ccc(CNC(=O)N2CC[NH+](CCOC)CC2)cc1 ZINC000045839802 436378189 /nfs/dbraw/zinc/37/81/89/436378189.db2.gz PTYPRWSUTHTKLS-UHFFFAOYSA-N 1 1 334.420 0.520 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000045864545 436378677 /nfs/dbraw/zinc/37/86/77/436378677.db2.gz YYJJZNUDGDOMTK-UHFFFAOYSA-N 1 1 348.403 0.207 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000044949554 436357741 /nfs/dbraw/zinc/35/77/41/436357741.db2.gz PSJYVRYTPFSSMK-BZSNNMDCSA-N 1 1 348.443 0.716 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000044949554 436357744 /nfs/dbraw/zinc/35/77/44/436357744.db2.gz PSJYVRYTPFSSMK-BZSNNMDCSA-N 1 1 348.443 0.716 50 0 ECAAMO Cc1noc(C)c1C(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091444951 436450089 /nfs/dbraw/zinc/45/00/89/436450089.db2.gz KBVCKECCYYIWCX-CABCVRRESA-N 1 1 337.420 0.694 50 0 ECAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cc(=O)[nH]c(C)n3)C2)C1=O ZINC000091468633 436450829 /nfs/dbraw/zinc/45/08/29/436450829.db2.gz GAQASFFAOPIPJX-QGZVFWFLSA-N 1 1 334.420 0.539 50 0 ECAAMO C[NH2+][C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091536424 436451772 /nfs/dbraw/zinc/45/17/72/436451772.db2.gz HGCUTDFLUDABQR-AWEZNQCLSA-N 1 1 347.463 0.791 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)nc(C)n1 ZINC000091518934 436452715 /nfs/dbraw/zinc/45/27/15/436452715.db2.gz WWUNISLQSGMZHV-HZPDHXFCSA-N 1 1 349.479 0.267 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)nc(C)n1 ZINC000091518934 436452718 /nfs/dbraw/zinc/45/27/18/436452718.db2.gz WWUNISLQSGMZHV-HZPDHXFCSA-N 1 1 349.479 0.267 50 0 ECAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)s1 ZINC000091574184 436453875 /nfs/dbraw/zinc/45/38/75/436453875.db2.gz LHCZOPQMEYYWLI-CHWSQXEVSA-N 1 1 326.462 0.915 50 0 ECAAMO CN(C)C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C[C@@H]1CO ZINC000091604247 436454784 /nfs/dbraw/zinc/45/47/84/436454784.db2.gz FEMGOOUKIMSBFR-IAGOWNOFSA-N 1 1 346.475 0.788 50 0 ECAAMO CN(C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C[C@@H]1CO ZINC000091604247 436454788 /nfs/dbraw/zinc/45/47/88/436454788.db2.gz FEMGOOUKIMSBFR-IAGOWNOFSA-N 1 1 346.475 0.788 50 0 ECAAMO CNc1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000091626120 436455653 /nfs/dbraw/zinc/45/56/53/436455653.db2.gz WIAYVZGPIFYXTP-VXGBXAGGSA-N 1 1 340.449 0.198 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2ccncc2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000091645595 436456129 /nfs/dbraw/zinc/45/61/29/436456129.db2.gz YRSUDKYZMOYLBT-SFHVURJKSA-N 1 1 346.431 0.213 50 0 ECAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)c1O ZINC000091706476 436458175 /nfs/dbraw/zinc/45/81/75/436458175.db2.gz PFANPDNVCSNPER-HZPDHXFCSA-N 1 1 349.475 0.875 50 0 ECAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)c1O ZINC000091706476 436458179 /nfs/dbraw/zinc/45/81/79/436458179.db2.gz PFANPDNVCSNPER-HZPDHXFCSA-N 1 1 349.475 0.875 50 0 ECAAMO CNC(=O)c1cccnc1N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091808824 436460650 /nfs/dbraw/zinc/46/06/50/436460650.db2.gz JRAYQYPUAOJDSH-SFHVURJKSA-N 1 1 345.447 0.574 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cnc(C)cc2C)C[C@@H]1CO ZINC000091873074 436462074 /nfs/dbraw/zinc/46/20/74/436462074.db2.gz JAAQCIBTHLJXBG-HZPDHXFCSA-N 1 1 335.448 0.693 50 0 ECAAMO CN1CC[NH+](C[C@@H]2CN(C(=O)C(=O)c3ccccc3)C[C@@H]2CO)CC1 ZINC000091876779 436462523 /nfs/dbraw/zinc/46/25/23/436462523.db2.gz VYADKNMNFPSVRT-IAGOWNOFSA-N 1 1 345.443 0.184 50 0 ECAAMO OC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1CN1CCOCC1 ZINC000091998072 436464448 /nfs/dbraw/zinc/46/44/48/436464448.db2.gz VWANLFQVVOCGQT-HZPDHXFCSA-N 1 1 334.416 0.788 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)CC(F)(F)F)C1 ZINC000091934375 436465738 /nfs/dbraw/zinc/46/57/38/436465738.db2.gz IXDGHUFKDLGGKE-VXGBXAGGSA-N 1 1 326.359 0.974 50 0 ECAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)N1CCCCCC1 ZINC000092098578 436466536 /nfs/dbraw/zinc/46/65/36/436466536.db2.gz LAFKFJHLYSAZQH-SFHVURJKSA-N 1 1 337.464 0.696 50 0 ECAAMO CCn1c(Cn2cccn2)nnc1C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000096137527 436515026 /nfs/dbraw/zinc/51/50/26/436515026.db2.gz CDRWSRNTOIVBMA-UHFFFAOYSA-N 1 1 345.451 0.810 50 0 ECAAMO Cc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096136725 436515351 /nfs/dbraw/zinc/51/53/51/436515351.db2.gz YFOJLTCXAOYFIB-YJBOKZPZSA-N 1 1 348.447 0.726 50 0 ECAAMO Cc1nn(C)cc1C[N@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096136725 436515353 /nfs/dbraw/zinc/51/53/53/436515353.db2.gz YFOJLTCXAOYFIB-YJBOKZPZSA-N 1 1 348.447 0.726 50 0 ECAAMO Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096136725 436515357 /nfs/dbraw/zinc/51/53/57/436515357.db2.gz YFOJLTCXAOYFIB-YJBOKZPZSA-N 1 1 348.447 0.726 50 0 ECAAMO Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096136725 436515360 /nfs/dbraw/zinc/51/53/60/436515360.db2.gz YFOJLTCXAOYFIB-YJBOKZPZSA-N 1 1 348.447 0.726 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000095351118 436492631 /nfs/dbraw/zinc/49/26/31/436492631.db2.gz ZZSRSZQMFVJRTA-JTQLQIEISA-N 1 1 348.428 0.748 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(=O)n(C)c1=O ZINC000095351118 436492635 /nfs/dbraw/zinc/49/26/35/436492635.db2.gz ZZSRSZQMFVJRTA-JTQLQIEISA-N 1 1 348.428 0.748 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095526502 436499639 /nfs/dbraw/zinc/49/96/39/436499639.db2.gz QLGVGNPCMOUFFS-GFCCVEGCSA-N 1 1 326.422 0.940 50 0 ECAAMO O=C(CN1CCOCC1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000095982400 436501916 /nfs/dbraw/zinc/50/19/16/436501916.db2.gz RGYIVCYQYAZLSM-UHFFFAOYSA-N 1 1 343.431 0.539 50 0 ECAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099701 436512542 /nfs/dbraw/zinc/51/25/42/436512542.db2.gz DUUQTCRQKKQUAG-CYBMUJFWSA-N 1 1 329.422 0.511 50 0 ECAAMO C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000096424723 436531340 /nfs/dbraw/zinc/53/13/40/436531340.db2.gz QQAYDHIXLDYJGA-WBVHZDCISA-N 1 1 332.448 0.744 50 0 ECAAMO Cn1nc(C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)ccc1=O ZINC000096484460 436531738 /nfs/dbraw/zinc/53/17/38/436531738.db2.gz ZKJPUZWKJQIOHN-UHFFFAOYSA-N 1 1 333.779 0.791 50 0 ECAAMO CCNC(=O)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000096968006 436536193 /nfs/dbraw/zinc/53/61/93/436536193.db2.gz WEAAHAXAQFGHOO-ZDUSSCGKSA-N 1 1 327.450 0.973 50 0 ECAAMO Cc1cc(NC(=O)CN2CC[N@H+](C3CCOCC3)C[C@H](O)C2)no1 ZINC000097681714 436543317 /nfs/dbraw/zinc/54/33/17/436543317.db2.gz JXKVCJVHBMUCOT-CQSZACIVSA-N 1 1 338.408 0.079 50 0 ECAAMO Cc1n[nH]c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1Br ZINC000054705083 436557195 /nfs/dbraw/zinc/55/71/95/436557195.db2.gz UQQIAIXSTSMBHS-UHFFFAOYSA-N 1 1 344.213 0.160 50 0 ECAAMO CCC(=O)NCC(=O)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000058401466 436624735 /nfs/dbraw/zinc/62/47/35/436624735.db2.gz DZYKVOHCOHETSM-UHFFFAOYSA-N 1 1 333.432 0.908 50 0 ECAAMO C[C@@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)n1cncn1 ZINC000106066859 436589595 /nfs/dbraw/zinc/58/95/95/436589595.db2.gz CNMRWJZLYDPXJW-RDJZCZTQSA-N 1 1 342.447 0.944 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000106556724 436598839 /nfs/dbraw/zinc/59/88/39/436598839.db2.gz LBAYYUOAMCLDPK-HZSPNIEDSA-N 1 1 339.436 0.374 50 0 ECAAMO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000106862359 436603543 /nfs/dbraw/zinc/60/35/43/436603543.db2.gz AAERKQVRIBOKMO-MGPQQGTHSA-N 1 1 347.415 0.481 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1C(N)=O ZINC000106911716 436605901 /nfs/dbraw/zinc/60/59/01/436605901.db2.gz HYSKEEXJMTUPEM-CHWSQXEVSA-N 1 1 337.445 0.951 50 0 ECAAMO NC(=O)c1noc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000106977510 436607391 /nfs/dbraw/zinc/60/73/91/436607391.db2.gz DVPGCZGNDVJPPY-CQSZACIVSA-N 1 1 345.403 0.237 50 0 ECAAMO NC(=O)c1noc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000106977510 436607394 /nfs/dbraw/zinc/60/73/94/436607394.db2.gz DVPGCZGNDVJPPY-CQSZACIVSA-N 1 1 345.403 0.237 50 0 ECAAMO O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553214 436612790 /nfs/dbraw/zinc/61/27/90/436612790.db2.gz LTAHGMSEYZAERA-ZDUSSCGKSA-N 1 1 337.445 0.708 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CNC(=O)N3)c2)CCO1 ZINC000107580465 436613555 /nfs/dbraw/zinc/61/35/55/436613555.db2.gz HTBULHSEEFPZDG-IUODEOHRSA-N 1 1 332.404 0.205 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CNC(=O)N3)c2)CCO1 ZINC000107580465 436613559 /nfs/dbraw/zinc/61/35/59/436613559.db2.gz HTBULHSEEFPZDG-IUODEOHRSA-N 1 1 332.404 0.205 50 0 ECAAMO COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000063884829 436646945 /nfs/dbraw/zinc/64/69/45/436646945.db2.gz JUGDFEWUPLUTQL-CYBMUJFWSA-N 1 1 334.420 0.521 50 0 ECAAMO C[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1nc(-c2ccccn2)no1 ZINC000221377546 436701357 /nfs/dbraw/zinc/70/13/57/436701357.db2.gz ZRCBDBNOJWRAFS-ZDUSSCGKSA-N 1 1 344.419 0.946 50 0 ECAAMO C[N@H+](CCC(=O)NCCCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000223146041 436705374 /nfs/dbraw/zinc/70/53/74/436705374.db2.gz VBUSJMNPAQBDMP-OAHLLOKOSA-N 1 1 339.461 0.639 50 0 ECAAMO C[N@@H+](CCC(=O)NCCCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000223146041 436705377 /nfs/dbraw/zinc/70/53/77/436705377.db2.gz VBUSJMNPAQBDMP-OAHLLOKOSA-N 1 1 339.461 0.639 50 0 ECAAMO CNS(=O)(=O)c1cccc(CNC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000065452102 436660994 /nfs/dbraw/zinc/66/09/94/436660994.db2.gz YQZOKGIHXOXCEC-UHFFFAOYSA-N 1 1 340.449 0.442 50 0 ECAAMO Cc1ccn2c(c1)ncc(C(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000065446767 436662092 /nfs/dbraw/zinc/66/20/92/436662092.db2.gz NRHPUCYUSCMIDI-UHFFFAOYSA-N 1 1 330.388 0.455 50 0 ECAAMO C[C@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC(C)(C)O1 ZINC000065500019 436665221 /nfs/dbraw/zinc/66/52/21/436665221.db2.gz KSWMRVGMZVSMLW-LBPRGKRZSA-N 1 1 349.435 0.323 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)CC1 ZINC000065527314 436666785 /nfs/dbraw/zinc/66/67/85/436666785.db2.gz SAROCVBGUHXCGY-MRXNPFEDSA-N 1 1 330.432 0.063 50 0 ECAAMO COc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000065530503 436667221 /nfs/dbraw/zinc/66/72/21/436667221.db2.gz BVXRAVWVPFLODB-HNNXBMFYSA-N 1 1 331.416 0.661 50 0 ECAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000229305258 436714297 /nfs/dbraw/zinc/71/42/97/436714297.db2.gz IHCJGKWQSPCWKN-UAGQMJEPSA-N 1 1 337.464 0.957 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000229296672 436714602 /nfs/dbraw/zinc/71/46/02/436714602.db2.gz GBFHMIDHDLKMQN-GXTWGEPZSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000229296672 436714605 /nfs/dbraw/zinc/71/46/05/436714605.db2.gz GBFHMIDHDLKMQN-GXTWGEPZSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1 ZINC000067756715 436721454 /nfs/dbraw/zinc/72/14/54/436721454.db2.gz BPFNXQSXBHNSIP-CQSZACIVSA-N 1 1 342.399 0.624 50 0 ECAAMO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067885126 436728167 /nfs/dbraw/zinc/72/81/67/436728167.db2.gz RQXQUJJMAPFFAP-AWEZNQCLSA-N 1 1 336.436 0.921 50 0 ECAAMO Cn1ccnc1[C@](O)(CCNC(=O)[C@@H]1CSC[NH2+]1)C(F)(F)F ZINC000153172604 436751629 /nfs/dbraw/zinc/75/16/29/436751629.db2.gz YIMIFOIDONWGOJ-GZMMTYOYSA-N 1 1 338.355 0.339 50 0 ECAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@@H](C)C1 ZINC000229311848 436715441 /nfs/dbraw/zinc/71/54/41/436715441.db2.gz GIDLCUJLARKGLX-NHYWBVRUSA-N 1 1 337.445 0.591 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC000155741796 436802283 /nfs/dbraw/zinc/80/22/83/436802283.db2.gz QYQDADQACZWMIO-MRXNPFEDSA-N 1 1 348.447 0.242 50 0 ECAAMO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@H]1CCCCNC1=O ZINC000253369970 436839977 /nfs/dbraw/zinc/83/99/77/436839977.db2.gz KQEWKXXVRSLBNF-GJZGRUSLSA-N 1 1 345.447 0.600 50 0 ECAAMO O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@H]1CCCCNC1=O ZINC000253369970 436839980 /nfs/dbraw/zinc/83/99/80/436839980.db2.gz KQEWKXXVRSLBNF-GJZGRUSLSA-N 1 1 345.447 0.600 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000254906090 436850117 /nfs/dbraw/zinc/85/01/17/436850117.db2.gz PFAPUFVHKASONE-OAHLLOKOSA-N 1 1 349.479 0.839 50 0 ECAAMO COCc1noc([C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2CO)n1 ZINC000257176282 436858032 /nfs/dbraw/zinc/85/80/32/436858032.db2.gz AJCGPPHFKFSYMZ-WCQYABFASA-N 1 1 334.376 0.828 50 0 ECAAMO Cc1c(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)cnn1C ZINC000257190813 436859706 /nfs/dbraw/zinc/85/97/06/436859706.db2.gz PARAUEQHPQJABI-JKSUJKDBSA-N 1 1 329.404 0.346 50 0 ECAAMO Cc1c(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)cnn1C ZINC000257190813 436859711 /nfs/dbraw/zinc/85/97/11/436859711.db2.gz PARAUEQHPQJABI-JKSUJKDBSA-N 1 1 329.404 0.346 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000252474313 436832306 /nfs/dbraw/zinc/83/23/06/436832306.db2.gz AUDGEQSLMUPVLK-ICUGJSFKSA-N 1 1 343.512 0.234 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000252474313 436832309 /nfs/dbraw/zinc/83/23/09/436832309.db2.gz AUDGEQSLMUPVLK-ICUGJSFKSA-N 1 1 343.512 0.234 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000180431613 437289483 /nfs/dbraw/zinc/28/94/83/437289483.db2.gz VWVQVXNOEBQJHP-SMDDNHRTSA-N 1 1 338.433 0.892 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cncn3C)CC2)C1 ZINC000329507472 437376610 /nfs/dbraw/zinc/37/66/10/437376610.db2.gz AADFARPVECKXCJ-HNNXBMFYSA-N 1 1 335.452 0.287 50 0 ECAAMO Cc1nc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)n(C)c1C ZINC000426493918 438063260 /nfs/dbraw/zinc/06/32/60/438063260.db2.gz DGBAZXPLVGCUQM-CYBMUJFWSA-N 1 1 346.435 0.191 50 0 ECAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccc(-n3cncn3)cc2)C1 ZINC000426527028 438066038 /nfs/dbraw/zinc/06/60/38/438066038.db2.gz SOSPDCLNQKSYGZ-KRWDZBQOSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000426527028 438066046 /nfs/dbraw/zinc/06/60/46/438066046.db2.gz SOSPDCLNQKSYGZ-KRWDZBQOSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000426527028 438066052 /nfs/dbraw/zinc/06/60/52/438066052.db2.gz SOSPDCLNQKSYGZ-KRWDZBQOSA-N 1 1 342.447 0.910 50 0 ECAAMO COc1cccc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1OCCC[NH3+] ZINC000426527692 438066502 /nfs/dbraw/zinc/06/65/02/438066502.db2.gz GGKHOZQCCFNEJM-OLZOCXBDSA-N 1 1 337.420 0.218 50 0 ECAAMO OCCNc1nc(NCCc2cccs2)cc([C@H]2CCOC2)[nH+]1 ZINC000426589711 438067181 /nfs/dbraw/zinc/06/71/81/438067181.db2.gz CXAVXYLQYIHNSZ-LBPRGKRZSA-N 1 1 334.445 0.945 50 0 ECAAMO Cc1nnc(CN(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000426615182 438068394 /nfs/dbraw/zinc/06/83/94/438068394.db2.gz QABFOCGLFLTMIF-LBPRGKRZSA-N 1 1 338.412 0.107 50 0 ECAAMO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378415201 438385034 /nfs/dbraw/zinc/38/50/34/438385034.db2.gz FQSTZUQAYJOXQD-YJBOKZPZSA-N 1 1 342.443 0.577 50 0 ECAAMO Cc1cn2nc(N[C@@H]3CC[N@H+](C[C@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522860 438582119 /nfs/dbraw/zinc/58/21/19/438582119.db2.gz DIVHRDHIMDZBME-MNOVXSKESA-N 1 1 329.326 1.447 50 0 ECAAMO Cc1cn2nc(N[C@@H]3CC[N@@H+](C[C@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522860 438582121 /nfs/dbraw/zinc/58/21/21/438582121.db2.gz DIVHRDHIMDZBME-MNOVXSKESA-N 1 1 329.326 1.447 50 0 ECAAMO C[C@@H](CNC(=O)NCC(C)(CO)CO)[N@H+]1CCc2ccccc2C1 ZINC000585137451 439634679 /nfs/dbraw/zinc/63/46/79/439634679.db2.gz ZVMISNZJJFVQSO-AWEZNQCLSA-N 1 1 335.448 0.723 50 0 ECAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1nnc[nH]1 ZINC000584895274 439626248 /nfs/dbraw/zinc/62/62/48/439626248.db2.gz VLIDXDJXEOQFPH-NSWWBONSSA-N 1 1 338.415 0.102 50 0 ECAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ncn[nH]1 ZINC000584895274 439626253 /nfs/dbraw/zinc/62/62/53/439626253.db2.gz VLIDXDJXEOQFPH-NSWWBONSSA-N 1 1 338.415 0.102 50 0 ECAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ncn[nH]1 ZINC000584895274 439626255 /nfs/dbraw/zinc/62/62/55/439626255.db2.gz VLIDXDJXEOQFPH-NSWWBONSSA-N 1 1 338.415 0.102 50 0 ECAAMO C1C[C@H]2CN(c3nc4nonc4nc3N3CCOCC3)CC[N@H+]2C1 ZINC000012715111 545655899 /nfs/dbraw/zinc/65/58/99/545655899.db2.gz VQIYKDDIWFOBTN-NSHDSACASA-N 1 1 331.380 0.134 50 0 ECAAMO Cc1cc(C)n(C)c(=O)c1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097480117 545731839 /nfs/dbraw/zinc/73/18/39/545731839.db2.gz HUVFJQSWVZOCEH-AWEZNQCLSA-N 1 1 348.447 0.319 50 0 ECAAMO C[NH+](C)Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)o1 ZINC000097547481 545733069 /nfs/dbraw/zinc/73/30/69/545733069.db2.gz APNDRVRJJPZCMJ-AWEZNQCLSA-N 1 1 331.372 0.873 50 0 ECAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000222423835 545921701 /nfs/dbraw/zinc/92/17/01/545921701.db2.gz VLTZEGNBWCGWEQ-AWEZNQCLSA-N 1 1 340.391 0.865 50 0 ECAAMO O=C(CCC(=O)NC1CCCC1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670451383 548014863 /nfs/dbraw/zinc/01/48/63/548014863.db2.gz BXPHFAZIRIOFFA-OAHLLOKOSA-N 1 1 325.453 0.788 50 0 ECAAMO COc1ccc(Cn2ncnc2[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000670457621 548015960 /nfs/dbraw/zinc/01/59/60/548015960.db2.gz IPHNOWJJXFVOQP-AWEZNQCLSA-N 1 1 329.404 1.000 50 0 ECAAMO COc1ccc(Cn2ncnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000670457621 548015964 /nfs/dbraw/zinc/01/59/64/548015964.db2.gz IPHNOWJJXFVOQP-AWEZNQCLSA-N 1 1 329.404 1.000 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000670465068 548017065 /nfs/dbraw/zinc/01/70/65/548017065.db2.gz FFPRUGPPZMUHIL-MRXNPFEDSA-N 1 1 339.461 0.643 50 0 ECAAMO CNC(=O)[C@@H]1CC(=O)N(C2C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000685941073 549727941 /nfs/dbraw/zinc/72/79/41/549727941.db2.gz QABGONIKIKXKLW-CYBMUJFWSA-N 1 1 326.400 0.947 50 0 ECAAMO O=S1(=O)C[C@H](O)[C@H](N2CC[NH+](C[C@H]3CCC=CCCC3)CC2)C1 ZINC000952992834 612140624 /nfs/dbraw/zinc/14/06/24/612140624.db2.gz SEGPOBYWWCEITN-BBWFWOEESA-N 1 1 342.505 0.898 50 0 ECAAMO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cc(=O)nc2sccn21 ZINC000426538042 753149981 /nfs/dbraw/zinc/14/99/81/753149981.db2.gz DQICWFHHUUMHRD-AAEUAGOBSA-N 1 1 348.428 0.739 50 0 ECAAMO COc1cccc(Nc2nc(N)nc(CN3CC[NH+](C)CC3)n2)c1 ZINC000019590077 202013786 /nfs/dbraw/zinc/01/37/86/202013786.db2.gz PUGFWVHHTAFNQT-UHFFFAOYSA-N 1 1 329.408 0.953 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cn3ccccc3[nH+]2)c1 ZINC000040018135 202166849 /nfs/dbraw/zinc/16/68/49/202166849.db2.gz CJDZSVGMOXIXBD-UHFFFAOYSA-N 1 1 332.385 0.795 50 0 ECAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2c(C)noc2C)CC1 ZINC000031932953 202213102 /nfs/dbraw/zinc/21/31/02/202213102.db2.gz YGLYSXYATNFRFP-UHFFFAOYSA-N 1 1 336.436 0.941 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069699910 202290583 /nfs/dbraw/zinc/29/05/83/202290583.db2.gz SBNNSZOYRYYPPH-OAHLLOKOSA-N 1 1 331.424 0.525 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069699910 202290587 /nfs/dbraw/zinc/29/05/87/202290587.db2.gz SBNNSZOYRYYPPH-OAHLLOKOSA-N 1 1 331.424 0.525 50 0 ECAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000069598387 202287737 /nfs/dbraw/zinc/28/77/37/202287737.db2.gz JZPCTRHIXAYRDK-KBPBESRZSA-N 1 1 348.447 0.936 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000036078789 202313602 /nfs/dbraw/zinc/31/36/02/202313602.db2.gz GEUXRDGQSMIHAR-CYBMUJFWSA-N 1 1 343.449 0.670 50 0 ECAAMO C[C@H](CNC(=O)c1cnc2ccccn2c1=O)CN1CC[NH+](C)CC1 ZINC000078394496 202390206 /nfs/dbraw/zinc/39/02/06/202390206.db2.gz GOGIRHFCQIJCPQ-CQSZACIVSA-N 1 1 343.431 0.308 50 0 ECAAMO CCc1cc(N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)n2nccc2n1 ZINC000072431580 216224679 /nfs/dbraw/zinc/22/46/79/216224679.db2.gz GGFPSIIVCWYXBL-GJZGRUSLSA-N 1 1 331.420 0.564 50 0 ECAAMO CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000229530891 201041010 /nfs/dbraw/zinc/04/10/10/201041010.db2.gz KLVNGCDZQWLTJI-IAGOWNOFSA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000229530891 201041011 /nfs/dbraw/zinc/04/10/11/201041011.db2.gz KLVNGCDZQWLTJI-IAGOWNOFSA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000229530891 201041015 /nfs/dbraw/zinc/04/10/15/201041015.db2.gz KLVNGCDZQWLTJI-IAGOWNOFSA-N 1 1 332.452 0.537 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)c2nccnc2N)[C@@H](c2ccccc2)C1 ZINC000229242384 201042476 /nfs/dbraw/zinc/04/24/76/201042476.db2.gz CUGRZAJIJUQLIT-OAHLLOKOSA-N 1 1 340.431 0.777 50 0 ECAAMO O=C(Cn1ncc(=O)c2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000055669370 201135236 /nfs/dbraw/zinc/13/52/36/201135236.db2.gz WXUQEMIQRLJVJI-UHFFFAOYSA-N 1 1 326.400 0.951 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(Cc2csc(CC(=O)N(C)C)n2)C[C@H]1C ZINC000246999107 201178625 /nfs/dbraw/zinc/17/86/25/201178625.db2.gz BJRYVJZLSYPEOI-OLZOCXBDSA-N 1 1 340.493 0.661 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)C1 ZINC000071876389 201171442 /nfs/dbraw/zinc/17/14/42/201171442.db2.gz DGKCCXYJPIGYLJ-JKSUJKDBSA-N 1 1 348.451 0.260 50 0 ECAAMO CCCNC(=O)CN1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000025231479 212466879 /nfs/dbraw/zinc/46/68/79/212466879.db2.gz QGGMJXDMEXUTIK-HNNXBMFYSA-N 1 1 339.436 0.301 50 0 ECAAMO Cn1c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc(=O)n(C)c1=O ZINC000097200617 201382001 /nfs/dbraw/zinc/38/20/01/201382001.db2.gz QWBBUPMKMSGZNG-CYBMUJFWSA-N 1 1 329.404 0.413 50 0 ECAAMO O=C(CC[N@@H+]1CCn2ccnc2C1)N1CCN(c2ccccn2)CC1 ZINC000097201120 201382329 /nfs/dbraw/zinc/38/23/29/201382329.db2.gz WEGWSPMGEVXCFM-UHFFFAOYSA-N 1 1 340.431 0.833 50 0 ECAAMO O=C(CC[N@H+]1CCn2ccnc2C1)N1CCN(c2ccccn2)CC1 ZINC000097201120 201382331 /nfs/dbraw/zinc/38/23/31/201382331.db2.gz WEGWSPMGEVXCFM-UHFFFAOYSA-N 1 1 340.431 0.833 50 0 ECAAMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)CC1 ZINC000097203422 201384650 /nfs/dbraw/zinc/38/46/50/201384650.db2.gz OHTXLRJRZLKUOU-UHFFFAOYSA-N 1 1 333.436 0.716 50 0 ECAAMO COc1cc(C[N@@H+]2CC[C@@](O)(CO)C2)cc(Cl)c1OCC(N)=O ZINC000215506854 241129011 /nfs/dbraw/zinc/12/90/11/241129011.db2.gz PZQLLFRDKVHRTP-HNNXBMFYSA-N 1 1 344.795 0.142 50 0 ECAAMO COc1cc(C[N@H+]2CC[C@@](O)(CO)C2)cc(Cl)c1OCC(N)=O ZINC000215506854 241129014 /nfs/dbraw/zinc/12/90/14/241129014.db2.gz PZQLLFRDKVHRTP-HNNXBMFYSA-N 1 1 344.795 0.142 50 0 ECAAMO CC[N@@H+](C)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)C1 ZINC000230286605 242258958 /nfs/dbraw/zinc/25/89/58/242258958.db2.gz GVBASVJMXMBQOH-HIFRSBDPSA-N 1 1 343.431 0.877 50 0 ECAAMO CCc1[nH+]ccn1CCN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244715818 243063415 /nfs/dbraw/zinc/06/34/15/243063415.db2.gz LCXCUWLIJKERNC-UHFFFAOYSA-N 1 1 341.481 0.404 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2nnc(-c3cccnc3)o2)CC1 ZINC000244884394 243096450 /nfs/dbraw/zinc/09/64/50/243096450.db2.gz YLOUYABCTOKSPO-GJZGRUSLSA-N 1 1 345.403 0.399 50 0 ECAAMO Cc1ccc(N2C[C@H](C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000069600492 203025151 /nfs/dbraw/zinc/02/51/51/203025151.db2.gz LQDCQIBMIMXUGD-WBVHZDCISA-N 1 1 344.459 0.710 50 0 ECAAMO O=C(CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000069628590 203028652 /nfs/dbraw/zinc/02/86/52/203028652.db2.gz WIJRGZFGPFEKCQ-GOSISDBHSA-N 1 1 347.459 0.587 50 0 ECAAMO COc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000069627851 203029540 /nfs/dbraw/zinc/02/95/40/203029540.db2.gz BJWDYUBYOQRPIH-LSDHHAIUSA-N 1 1 335.448 0.698 50 0 ECAAMO CC(C)C[N@H+]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000069666006 203034369 /nfs/dbraw/zinc/03/43/69/203034369.db2.gz WJKCYMAJLSBEKG-UHFFFAOYSA-N 1 1 346.435 0.320 50 0 ECAAMO Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000069950858 203065431 /nfs/dbraw/zinc/06/54/31/203065431.db2.gz OQDPLLIGHJIEFO-AWEZNQCLSA-N 1 1 346.431 0.637 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000070040178 203072943 /nfs/dbraw/zinc/07/29/43/203072943.db2.gz DIUWWCOXZIRWAO-UHFFFAOYSA-N 1 1 329.404 0.796 50 0 ECAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCN(C)C(=O)C2)[nH]1 ZINC000071765089 203110067 /nfs/dbraw/zinc/11/00/67/203110067.db2.gz JAAQRNAMGWNFCL-STQMWFEESA-N 1 1 333.436 0.226 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071764431 203111011 /nfs/dbraw/zinc/11/10/11/203111011.db2.gz QWVYUQQTPGOQNH-MRXNPFEDSA-N 1 1 336.480 0.483 50 0 ECAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000071898100 203142801 /nfs/dbraw/zinc/14/28/01/203142801.db2.gz AHEJVYVJRGHVLO-CHWSQXEVSA-N 1 1 333.498 0.941 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C ZINC000071864745 203133292 /nfs/dbraw/zinc/13/32/92/203133292.db2.gz DNAYYHWCANUUSC-CQSZACIVSA-N 1 1 346.431 0.624 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C ZINC000071864745 203133294 /nfs/dbraw/zinc/13/32/94/203133294.db2.gz DNAYYHWCANUUSC-CQSZACIVSA-N 1 1 346.431 0.624 50 0 ECAAMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1cccs1 ZINC000071871137 203133350 /nfs/dbraw/zinc/13/33/50/203133350.db2.gz ZHNVHXIDBZMNMN-OCCSQVGLSA-N 1 1 339.461 0.840 50 0 ECAAMO O=C(C[NH2+]CCn1cccn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000071879164 203133805 /nfs/dbraw/zinc/13/38/05/203133805.db2.gz AGAUTBVJZQOUIO-KRWDZBQOSA-N 1 1 327.432 0.863 50 0 ECAAMO CC(C)N(C)C(=O)CN1CCC[N@H+](CC(=O)N(C)C(C)C)CC1 ZINC000071874760 203134863 /nfs/dbraw/zinc/13/48/63/203134863.db2.gz KNAYEEPWSHAWOX-UHFFFAOYSA-N 1 1 326.485 0.728 50 0 ECAAMO CC(C)N(C)C(=O)CN1CCC[N@@H+](CC(=O)N(C)C(C)C)CC1 ZINC000071874760 203134867 /nfs/dbraw/zinc/13/48/67/203134867.db2.gz KNAYEEPWSHAWOX-UHFFFAOYSA-N 1 1 326.485 0.728 50 0 ECAAMO C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)N1CCOCC1 ZINC000072279833 203189377 /nfs/dbraw/zinc/18/93/77/203189377.db2.gz JKPXZEPDJVILIM-HNNXBMFYSA-N 1 1 335.452 0.175 50 0 ECAAMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)N1CCOCC1 ZINC000072279833 203189380 /nfs/dbraw/zinc/18/93/80/203189380.db2.gz JKPXZEPDJVILIM-HNNXBMFYSA-N 1 1 335.452 0.175 50 0 ECAAMO O=C(CCc1nc2ccccc2[nH]1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072163280 203177596 /nfs/dbraw/zinc/17/75/96/203177596.db2.gz CNOOCMKODPUQRG-OAHLLOKOSA-N 1 1 341.415 0.575 50 0 ECAAMO CNC(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072422853 203219910 /nfs/dbraw/zinc/21/99/10/203219910.db2.gz NZUMHLVWHCXJAV-OAHLLOKOSA-N 1 1 347.463 0.937 50 0 ECAAMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072420247 203220395 /nfs/dbraw/zinc/22/03/95/203220395.db2.gz MANHKZLBOFSOFK-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072420247 203220399 /nfs/dbraw/zinc/22/03/99/203220399.db2.gz MANHKZLBOFSOFK-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO CS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072429179 203223266 /nfs/dbraw/zinc/22/32/66/203223266.db2.gz GOGAHGHPLSHRTR-HNNXBMFYSA-N 1 1 339.461 0.359 50 0 ECAAMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000075134326 203305603 /nfs/dbraw/zinc/30/56/03/203305603.db2.gz LQWCZZMDVAVORS-LBPRGKRZSA-N 1 1 335.470 0.867 50 0 ECAAMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000075134326 203305606 /nfs/dbraw/zinc/30/56/06/203305606.db2.gz LQWCZZMDVAVORS-LBPRGKRZSA-N 1 1 335.470 0.867 50 0 ECAAMO CCC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)C1CC1 ZINC000077298966 203378759 /nfs/dbraw/zinc/37/87/59/203378759.db2.gz CXHOBWPWHSZHBU-OAHLLOKOSA-N 1 1 349.431 0.895 50 0 ECAAMO CN(C)S(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000077134263 203371740 /nfs/dbraw/zinc/37/17/40/203371740.db2.gz KMNYUDHSPMTYSO-UHFFFAOYSA-N 1 1 340.453 0.005 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077454251 203389457 /nfs/dbraw/zinc/38/94/57/203389457.db2.gz UFBCWNUVPAWQFP-ZDUSSCGKSA-N 1 1 344.419 0.182 50 0 ECAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000091562745 203639331 /nfs/dbraw/zinc/63/93/31/203639331.db2.gz BEJDLXTYAJSUSO-HNNXBMFYSA-N 1 1 345.403 0.994 50 0 ECAAMO CN1CCN(CC[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000102405496 204038293 /nfs/dbraw/zinc/03/82/93/204038293.db2.gz ARONPUAQQAPVMB-OAHLLOKOSA-N 1 1 334.395 0.295 50 0 ECAAMO CC(C)CN1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384192 204006660 /nfs/dbraw/zinc/00/66/60/204006660.db2.gz SXMHHHIMAGUAEI-IRXDYDNUSA-N 1 1 336.480 0.999 50 0 ECAAMO C[NH+]1CCN(CCCNc2c(=O)c(=O)c2NCc2ccccn2)CC1 ZINC000101691719 204020068 /nfs/dbraw/zinc/02/00/68/204020068.db2.gz BQEPWIJPEUFQGU-UHFFFAOYSA-N 1 1 343.431 0.339 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2nnc(-c3cccc(F)c3)n2)C[C@H](C)O1 ZINC000106865219 204214385 /nfs/dbraw/zinc/21/43/85/204214385.db2.gz VDZNNQYJHLHZDE-TYNCELHUSA-N 1 1 335.383 0.949 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@H+](CC(=O)NCc3cccnc3)C2)n[nH]1 ZINC000095402697 218337060 /nfs/dbraw/zinc/33/70/60/218337060.db2.gz NHCMHUXUORPPLC-ZDUSSCGKSA-N 1 1 342.403 0.399 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](CC(=O)NCc3cccnc3)C2)n[nH]1 ZINC000095402697 218337063 /nfs/dbraw/zinc/33/70/63/218337063.db2.gz NHCMHUXUORPPLC-ZDUSSCGKSA-N 1 1 342.403 0.399 50 0 ECAAMO CNc1nc(NCCc2c[nH]c(=O)n(C)c2=O)cc([C@@H]2CCOC2)[nH+]1 ZINC000299775372 258085923 /nfs/dbraw/zinc/08/59/23/258085923.db2.gz BTZIVOJLBINGKQ-LLVKDONJSA-N 1 1 346.391 0.476 50 0 ECAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000299781175 258090058 /nfs/dbraw/zinc/09/00/58/258090058.db2.gz VXIGNYVNSBORGO-LLVKDONJSA-N 1 1 328.438 0.683 50 0 ECAAMO CSCC[NH+]1CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1 ZINC000299801926 258104967 /nfs/dbraw/zinc/10/49/67/258104967.db2.gz YYZYFTACALELTE-UHFFFAOYSA-N 1 1 332.433 0.783 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000230066202 292181947 /nfs/dbraw/zinc/18/19/47/292181947.db2.gz XJBKOJNCJWIFLW-KGLIPLIRSA-N 1 1 339.461 0.859 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000230066202 292181948 /nfs/dbraw/zinc/18/19/48/292181948.db2.gz XJBKOJNCJWIFLW-KGLIPLIRSA-N 1 1 339.461 0.859 50 0 ECAAMO Cn1ncc2c1nccc2N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000286090028 264368935 /nfs/dbraw/zinc/36/89/35/264368935.db2.gz DJIHLXZBNXMLNA-OAHLLOKOSA-N 1 1 328.420 0.711 50 0 ECAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[NH2+][C@@H](C)C3)cc21 ZINC000237644779 275766370 /nfs/dbraw/zinc/76/63/70/275766370.db2.gz QTINONXDIIQEFS-LBPRGKRZSA-N 1 1 337.445 0.968 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000069771860 277316661 /nfs/dbraw/zinc/31/66/61/277316661.db2.gz WUSNSMYHNIJUGR-HNNXBMFYSA-N 1 1 347.463 0.608 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000095950860 278080111 /nfs/dbraw/zinc/08/01/11/278080111.db2.gz ZHFKYVCLKONXGD-HZPDHXFCSA-N 1 1 337.464 0.883 50 0 ECAAMO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000065491686 278092055 /nfs/dbraw/zinc/09/20/55/278092055.db2.gz VSMUBQXUBFNJDB-ZDUSSCGKSA-N 1 1 337.468 0.946 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000106868161 278294867 /nfs/dbraw/zinc/29/48/67/278294867.db2.gz YDIGVLOFIRDXEK-GJZGRUSLSA-N 1 1 341.477 0.352 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2O)CC1 ZINC000239667670 279361845 /nfs/dbraw/zinc/36/18/45/279361845.db2.gz BRDKGNCHRNMQDG-OWCLPIDISA-N 1 1 326.485 0.863 50 0 ECAAMO CC[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000106906808 281167675 /nfs/dbraw/zinc/16/76/75/281167675.db2.gz BTGKTYVLBRGJTE-STQMWFEESA-N 1 1 326.441 0.094 50 0 ECAAMO COc1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)ccc1NC(C)=O ZINC000003441892 435975268 /nfs/dbraw/zinc/97/52/68/435975268.db2.gz FFSNUKNGCWRONA-UHFFFAOYSA-N 1 1 341.433 0.980 50 0 ECAAMO COc1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)ccc1NC(C)=O ZINC000003441892 435975274 /nfs/dbraw/zinc/97/52/74/435975274.db2.gz FFSNUKNGCWRONA-UHFFFAOYSA-N 1 1 341.433 0.980 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000069918659 435977529 /nfs/dbraw/zinc/97/75/29/435977529.db2.gz JRQHJWKLLJSLQZ-MGPQQGTHSA-N 1 1 331.482 0.947 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839914 436019949 /nfs/dbraw/zinc/01/99/49/436019949.db2.gz SVKUOVBHYQCFEB-CQSZACIVSA-N 1 1 341.415 0.878 50 0 ECAAMO COc1c([C@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c(C)nn1C ZINC000072253991 436037369 /nfs/dbraw/zinc/03/73/69/436037369.db2.gz OYZSFSAYAQCEMQ-HUUCEWRRSA-N 1 1 338.452 0.567 50 0 ECAAMO C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)[C@H](C)CN1C(=O)CN(C)C1CC1 ZINC000072294429 436042125 /nfs/dbraw/zinc/04/21/25/436042125.db2.gz LSVRGRMGDVGTPW-ZIAGYGMSSA-N 1 1 336.480 0.623 50 0 ECAAMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)[C@H](C)CN1C(=O)CN(C)C1CC1 ZINC000072294429 436042132 /nfs/dbraw/zinc/04/21/32/436042132.db2.gz LSVRGRMGDVGTPW-ZIAGYGMSSA-N 1 1 336.480 0.623 50 0 ECAAMO COC(=O)C[C@@H](C)[NH+]1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000072309407 436042756 /nfs/dbraw/zinc/04/27/56/436042756.db2.gz OLDITNHWRYBQBU-GFCCVEGCSA-N 1 1 342.440 0.180 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](CCC(=O)Nc1cc(C)on1)CC2 ZINC000072302177 436043405 /nfs/dbraw/zinc/04/34/05/436043405.db2.gz RDSCRIDLLPVDCM-UHFFFAOYSA-N 1 1 331.376 0.947 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCC2 ZINC000012430459 436050898 /nfs/dbraw/zinc/05/08/98/436050898.db2.gz DCSVBNQJBOIVBC-CYBMUJFWSA-N 1 1 348.451 0.077 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000025234760 436147974 /nfs/dbraw/zinc/14/79/74/436147974.db2.gz NMJTZCHWMUIOND-UHFFFAOYSA-N 1 1 344.419 0.151 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cccc(F)c2)CC1 ZINC000028422841 436188021 /nfs/dbraw/zinc/18/80/21/436188021.db2.gz LCWQESKBAPTJHG-UHFFFAOYSA-N 1 1 336.411 0.878 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000076064278 436192407 /nfs/dbraw/zinc/19/24/07/436192407.db2.gz CRNVFGAAYOKHHB-GJZGRUSLSA-N 1 1 337.420 0.178 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036446764 436258930 /nfs/dbraw/zinc/25/89/30/436258930.db2.gz HLYBXHNONCQOLA-AGIUHOORSA-N 1 1 348.447 0.750 50 0 ECAAMO CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000040534880 436265870 /nfs/dbraw/zinc/26/58/70/436265870.db2.gz GIVUSPMWCIWXJP-UONOGXRCSA-N 1 1 329.466 0.401 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(S(N)(=O)=O)c1 ZINC000040534281 436267414 /nfs/dbraw/zinc/26/74/14/436267414.db2.gz YBCNPXMNJQNKDQ-GFCCVEGCSA-N 1 1 325.434 0.938 50 0 ECAAMO CN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)C1=O ZINC000078899335 436283190 /nfs/dbraw/zinc/28/31/90/436283190.db2.gz HWYIAYZAVXQWLY-CXAGYDPISA-N 1 1 332.404 0.538 50 0 ECAAMO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000042287292 436300393 /nfs/dbraw/zinc/30/03/93/436300393.db2.gz IHEVMKZOUJRVQA-HUUCEWRRSA-N 1 1 335.448 0.871 50 0 ECAAMO Cc1cc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)n(C)n1 ZINC000043434025 436331508 /nfs/dbraw/zinc/33/15/08/436331508.db2.gz LCXDPTYZRPAAPM-UONOGXRCSA-N 1 1 337.424 0.587 50 0 ECAAMO Cn1ncc2c1ncn(CCC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)c2=O ZINC000044941720 436355834 /nfs/dbraw/zinc/35/58/34/436355834.db2.gz JXGFKNPNZRAYRS-ZIAGYGMSSA-N 1 1 344.419 0.263 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000044972926 436359004 /nfs/dbraw/zinc/35/90/04/436359004.db2.gz KEGWQSDJLLCPPU-UHFFFAOYSA-N 1 1 336.417 0.920 50 0 ECAAMO O=C(Cc1ccc(F)cc1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000044974355 436359157 /nfs/dbraw/zinc/35/91/57/436359157.db2.gz ZMTMKWSZQCXOOC-QGZVFWFLSA-N 1 1 346.406 0.770 50 0 ECAAMO Cc1ccccc1CN1CCN(C(=O)C[N@H+]2CC[C@@H](C(N)=O)C2)CC1 ZINC000048041506 436439494 /nfs/dbraw/zinc/43/94/94/436439494.db2.gz WMDGTGIEHMPBMX-QGZVFWFLSA-N 1 1 344.459 0.446 50 0 ECAAMO Cc1nn(CCO)cc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091270447 436449645 /nfs/dbraw/zinc/44/96/45/436449645.db2.gz WBPUBIRRMGUYJC-SFHVURJKSA-N 1 1 349.479 0.312 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000091587389 436455014 /nfs/dbraw/zinc/45/50/14/436455014.db2.gz IXSJYJQHCGFCOD-AWEZNQCLSA-N 1 1 346.431 0.089 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000091679928 436456497 /nfs/dbraw/zinc/45/64/97/436456497.db2.gz IMDBIFBXZCZICQ-CYBMUJFWSA-N 1 1 349.406 0.750 50 0 ECAAMO CCn1nc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](CC)CCO)C2)cc1C ZINC000091678620 436457019 /nfs/dbraw/zinc/45/70/19/436457019.db2.gz HQWFQGHODKTQKB-HUUCEWRRSA-N 1 1 338.452 0.206 50 0 ECAAMO Nc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091635661 436457163 /nfs/dbraw/zinc/45/71/63/436457163.db2.gz PBSCSWTWFMWVBG-LSDHHAIUSA-N 1 1 341.419 0.378 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000089741295 436415062 /nfs/dbraw/zinc/41/50/62/436415062.db2.gz CDBUGBRVBNAFBB-HNNXBMFYSA-N 1 1 346.479 0.821 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000089938422 436420647 /nfs/dbraw/zinc/42/06/47/436420647.db2.gz YUPSEPOJMSRVNV-JTQLQIEISA-N 1 1 343.387 0.196 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000089938422 436420651 /nfs/dbraw/zinc/42/06/51/436420651.db2.gz YUPSEPOJMSRVNV-JTQLQIEISA-N 1 1 343.387 0.196 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000089937910 436420920 /nfs/dbraw/zinc/42/09/20/436420920.db2.gz MYJUBHFCMMTHGT-ZDUSSCGKSA-N 1 1 336.436 0.794 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000089937910 436420924 /nfs/dbraw/zinc/42/09/24/436420924.db2.gz MYJUBHFCMMTHGT-ZDUSSCGKSA-N 1 1 336.436 0.794 50 0 ECAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ncnn1)CC2 ZINC000096132228 436516209 /nfs/dbraw/zinc/51/62/09/436516209.db2.gz APVJIFBYNIAPTQ-UHFFFAOYSA-N 1 1 344.423 0.182 50 0 ECAAMO CN(C)c1nc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)ncc1F ZINC000095509592 436498783 /nfs/dbraw/zinc/49/87/83/436498783.db2.gz LXMMDBMOVVNXGU-NSHDSACASA-N 1 1 347.398 0.748 50 0 ECAAMO CN1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000095954284 436502042 /nfs/dbraw/zinc/50/20/42/436502042.db2.gz MWDWDJCIODDGTC-INIZCTEOSA-N 1 1 331.416 0.613 50 0 ECAAMO COc1ccc(CCNC(=O)[C@H](C)N2CC[NH+](CCO)CC2)cc1 ZINC000052636044 436512901 /nfs/dbraw/zinc/51/29/01/436512901.db2.gz BSTWVOQQDZBOSE-HNNXBMFYSA-N 1 1 335.448 0.352 50 0 ECAAMO Cc1sc(=O)n(CCC(=O)N2CCN(c3[nH+]ccn3C)CC2)c1C ZINC000096436929 436531216 /nfs/dbraw/zinc/53/12/16/436531216.db2.gz RPAMZNWJDGCUPP-UHFFFAOYSA-N 1 1 349.460 0.999 50 0 ECAAMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc2nnnn2n1 ZINC000097212541 436542113 /nfs/dbraw/zinc/54/21/13/436542113.db2.gz UBCXEYPWZFKBAS-CYBMUJFWSA-N 1 1 339.407 0.537 50 0 ECAAMO O=C(NCCc1ccco1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000097675426 436543129 /nfs/dbraw/zinc/54/31/29/436543129.db2.gz RPTPTPQWHDYHGK-AWEZNQCLSA-N 1 1 340.445 0.837 50 0 ECAAMO Cc1nc(C2CC2)ncc1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097797358 436543803 /nfs/dbraw/zinc/54/38/03/436543803.db2.gz VDQGDOPCGABHRO-ZDUSSCGKSA-N 1 1 331.420 0.590 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCNC3=O)C2=O)cc1 ZINC000100120923 436545692 /nfs/dbraw/zinc/54/56/92/436545692.db2.gz WTOWAUXVBGYRCO-UONOGXRCSA-N 1 1 331.372 0.585 50 0 ECAAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100467183 436547726 /nfs/dbraw/zinc/54/77/26/436547726.db2.gz GGZIWLKMMLUOAZ-AWEZNQCLSA-N 1 1 337.807 0.582 50 0 ECAAMO Cc1cc(C)n(CCCN(C)C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000055385084 436575736 /nfs/dbraw/zinc/57/57/36/436575736.db2.gz KDBMBYFIFOWTNL-OAHLLOKOSA-N 1 1 335.452 0.546 50 0 ECAAMO O=c1[nH]c2ccccc2c(=O)n1C[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000058405294 436624829 /nfs/dbraw/zinc/62/48/29/436624829.db2.gz BCZGKGRTPCXKJO-XJKSGUPXSA-N 1 1 345.399 0.427 50 0 ECAAMO CN(C)C(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000058377886 436625521 /nfs/dbraw/zinc/62/55/21/436625521.db2.gz AGYKNHJPUHRLBY-KRWDZBQOSA-N 1 1 332.448 0.522 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000106843609 436603749 /nfs/dbraw/zinc/60/37/49/436603749.db2.gz AKSIBRVSRJBMSJ-CABCVRRESA-N 1 1 333.436 0.441 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000106843609 436603752 /nfs/dbraw/zinc/60/37/52/436603752.db2.gz AKSIBRVSRJBMSJ-CABCVRRESA-N 1 1 333.436 0.441 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000107354824 436612242 /nfs/dbraw/zinc/61/22/42/436612242.db2.gz BTNFFAKMOQCQKA-ARFHVFGLSA-N 1 1 337.464 0.957 50 0 ECAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CNC(=O)N2)C[C@@H](C)O1 ZINC000107579859 436612724 /nfs/dbraw/zinc/61/27/24/436612724.db2.gz DQQAJLLSDPFPBT-XJKCOSOUSA-N 1 1 346.431 0.593 50 0 ECAAMO CCC[N@H+](C[C@H](O)CN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000107530441 436613803 /nfs/dbraw/zinc/61/38/03/436613803.db2.gz MRECTLVGAAMHGD-JKSUJKDBSA-N 1 1 332.510 0.978 50 0 ECAAMO CCC[N@@H+](C[C@H](O)CN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000107530441 436613806 /nfs/dbraw/zinc/61/38/06/436613806.db2.gz MRECTLVGAAMHGD-JKSUJKDBSA-N 1 1 332.510 0.978 50 0 ECAAMO COCC(=O)N1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000065372255 436655974 /nfs/dbraw/zinc/65/59/74/436655974.db2.gz YRFOFMJFFMOXTD-UHFFFAOYSA-N 1 1 329.404 0.948 50 0 ECAAMO Cc1cc(C)n(CCNc2nc(N3CC[C@@H](O)C3)cc[nH+]2)c(=O)n1 ZINC000065397905 436656976 /nfs/dbraw/zinc/65/69/76/436656976.db2.gz GLQFZRMANMASRX-CYBMUJFWSA-N 1 1 330.392 0.333 50 0 ECAAMO Cc1cc(CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(C)n1 ZINC000223352789 436705156 /nfs/dbraw/zinc/70/51/56/436705156.db2.gz ODMAWURAEZTHQT-OAHLLOKOSA-N 1 1 339.461 0.824 50 0 ECAAMO Cc1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(C)n1 ZINC000223352789 436705160 /nfs/dbraw/zinc/70/51/60/436705160.db2.gz ODMAWURAEZTHQT-OAHLLOKOSA-N 1 1 339.461 0.824 50 0 ECAAMO CC(=O)N1CCn2nc(C(=O)NCCNc3[nH+]cccc3C)cc2C1 ZINC000065490974 436665632 /nfs/dbraw/zinc/66/56/32/436665632.db2.gz UBTKYIGTSKYIKL-UHFFFAOYSA-N 1 1 342.403 0.791 50 0 ECAAMO COCCCNC(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000065591481 436668456 /nfs/dbraw/zinc/66/84/56/436668456.db2.gz WCSKNYOAYBTZNT-MRXNPFEDSA-N 1 1 335.448 0.770 50 0 ECAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+](C)CCO)C2=O)c1 ZINC000067674433 436720001 /nfs/dbraw/zinc/72/00/01/436720001.db2.gz MRHUCDRBQGVCNU-QGZVFWFLSA-N 1 1 340.395 0.612 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCc2[nH]nc3c2CCCC3)C1 ZINC000067818280 436725126 /nfs/dbraw/zinc/72/51/26/436725126.db2.gz FARBYIPDODTSCK-GFCCVEGCSA-N 1 1 333.436 0.145 50 0 ECAAMO CNC(=O)C[N@@H+](C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067955410 436728682 /nfs/dbraw/zinc/72/86/82/436728682.db2.gz WAMDOWCTELBVRL-SFHVURJKSA-N 1 1 339.480 0.988 50 0 ECAAMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000241446949 436758765 /nfs/dbraw/zinc/75/87/65/436758765.db2.gz NPWRHIFHWDRJEV-DYVFJYSZSA-N 1 1 333.432 0.905 50 0 ECAAMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000241446949 436758769 /nfs/dbraw/zinc/75/87/69/436758769.db2.gz NPWRHIFHWDRJEV-DYVFJYSZSA-N 1 1 333.432 0.905 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCC3)C[C@@H]2C)CC1 ZINC000229306828 436715544 /nfs/dbraw/zinc/71/55/44/436715544.db2.gz WGWCRHNEZICUNN-YQQAZPJKSA-N 1 1 336.480 0.482 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000247971647 436797973 /nfs/dbraw/zinc/79/79/73/436797973.db2.gz YTXCAZSOJPXGHT-ZBFHGGJFSA-N 1 1 348.451 0.212 50 0 ECAAMO COc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000252551334 436838529 /nfs/dbraw/zinc/83/85/29/436838529.db2.gz UCJFTVDAOOVLQK-AWEZNQCLSA-N 1 1 340.445 0.915 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(OC)c2)C[C@H]1CO ZINC000253396025 436842175 /nfs/dbraw/zinc/84/21/75/436842175.db2.gz ATAOFIPPWIEVDQ-GXTWGEPZSA-N 1 1 326.368 0.390 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(OC)c2)C[C@H]1CO ZINC000253396025 436842179 /nfs/dbraw/zinc/84/21/79/436842179.db2.gz ATAOFIPPWIEVDQ-GXTWGEPZSA-N 1 1 326.368 0.390 50 0 ECAAMO Cc1c(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)cnn1C ZINC000253398016 436842223 /nfs/dbraw/zinc/84/22/23/436842223.db2.gz BVCTUCKFTJKBQH-DLBZAZTESA-N 1 1 328.416 0.951 50 0 ECAAMO Cc1c(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)cnn1C ZINC000253398016 436842231 /nfs/dbraw/zinc/84/22/31/436842231.db2.gz BVCTUCKFTJKBQH-DLBZAZTESA-N 1 1 328.416 0.951 50 0 ECAAMO O=C(Cc1cc[nH]n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000253416690 436844104 /nfs/dbraw/zinc/84/41/04/436844104.db2.gz XRLNGKFTMREQCN-WBVHZDCISA-N 1 1 328.416 0.951 50 0 ECAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000257184199 436857301 /nfs/dbraw/zinc/85/73/01/436857301.db2.gz IIUUXVQUVIABRD-DZGCQCFKSA-N 1 1 348.399 0.617 50 0 ECAAMO COCC[NH+]1[C@@H](C)CN(c2nc(C)c(S(N)(=O)=O)s2)C[C@@H]1C ZINC000252481035 436833981 /nfs/dbraw/zinc/83/39/81/436833981.db2.gz CGXZCGXWSACBTR-UWVGGRQHSA-N 1 1 348.494 0.644 50 0 ECAAMO COc1ccc(NC(=O)CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000252495984 436834248 /nfs/dbraw/zinc/83/42/48/436834248.db2.gz PEBLPEGTRRQHLC-IRXDYDNUSA-N 1 1 349.431 0.401 50 0 ECAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000257366085 436876404 /nfs/dbraw/zinc/87/64/04/436876404.db2.gz IHCJGKWQSPCWKN-DJIMGWMZSA-N 1 1 337.464 0.957 50 0 ECAAMO Cc1cccc(C(=O)N[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000170595489 436946771 /nfs/dbraw/zinc/94/67/71/436946771.db2.gz PMQOWAAKWWXSBI-LPHOPBHVSA-N 1 1 347.459 0.932 50 0 ECAAMO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299749073 437109393 /nfs/dbraw/zinc/10/93/93/437109393.db2.gz JCZPCQOEFBJNJG-INIZCTEOSA-N 1 1 349.431 0.362 50 0 ECAAMO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299749073 437109397 /nfs/dbraw/zinc/10/93/97/437109397.db2.gz JCZPCQOEFBJNJG-INIZCTEOSA-N 1 1 349.431 0.362 50 0 ECAAMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=COCCO1 ZINC000188144774 437527602 /nfs/dbraw/zinc/52/76/02/437527602.db2.gz BMYFEEAKYXCBIY-GOSISDBHSA-N 1 1 332.400 0.970 50 0 ECAAMO FC(F)(F)Cn1nnnc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000190918204 437642488 /nfs/dbraw/zinc/64/24/88/437642488.db2.gz ZJENVXQYGUOKKJ-GFCCVEGCSA-N 1 1 348.373 0.922 50 0 ECAAMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192231925 437671246 /nfs/dbraw/zinc/67/12/46/437671246.db2.gz QRWGJINZAAHRJB-OAHLLOKOSA-N 1 1 334.420 0.323 50 0 ECAAMO C[N@H+](CC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000426513629 438062710 /nfs/dbraw/zinc/06/27/10/438062710.db2.gz KOXJQUCXEIDNEV-FSDCSDTHSA-N 1 1 336.407 0.848 50 0 ECAAMO C[N@@H+](CC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000426513629 438062715 /nfs/dbraw/zinc/06/27/15/438062715.db2.gz KOXJQUCXEIDNEV-FSDCSDTHSA-N 1 1 336.407 0.848 50 0 ECAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2ccc(-c3cnc(N)nc3)cc2)C1 ZINC000426522932 438063055 /nfs/dbraw/zinc/06/30/55/438063055.db2.gz PCGPRMDZDNOORJ-ZDUSSCGKSA-N 1 1 341.415 1.034 50 0 ECAAMO Cc1nc[nH]c1CNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426494694 438063599 /nfs/dbraw/zinc/06/35/99/438063599.db2.gz VVBFVHDJUGHMNF-LLVKDONJSA-N 1 1 330.392 0.805 50 0 ECAAMO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(S(N)(=O)=O)CC2)C1=O ZINC000408231967 438540426 /nfs/dbraw/zinc/54/04/26/438540426.db2.gz KUZQNQXEFWBJPK-ZDUSSCGKSA-N 1 1 331.482 0.776 50 0 ECAAMO CN(CC[N@@H+](C)C1CC1)C(=O)CNS(=O)(=O)c1ccccc1N ZINC000408521920 438582558 /nfs/dbraw/zinc/58/25/58/438582558.db2.gz AKRWCRCZYDOZFF-UHFFFAOYSA-N 1 1 340.449 0.100 50 0 ECAAMO CC[N@H+]1CCN(C(=O)COCc2ocnc2C(=O)OC)[C@H](C)C1 ZINC000521396411 439116010 /nfs/dbraw/zinc/11/60/10/439116010.db2.gz VJAOAAJFIIPHJH-LLVKDONJSA-N 1 1 325.365 0.530 50 0 ECAAMO COc1cc(S(=O)(=O)N2C[C@@H]3[NH2+]CCO[C@H]3C2)c(OC)cc1C ZINC000534590014 439528197 /nfs/dbraw/zinc/52/81/97/439528197.db2.gz VWGHVAUMABVDMP-FZMZJTMJSA-N 1 1 342.417 0.374 50 0 ECAAMO COc1cccc(C(=O)NCCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2OC)c1 ZINC000534586773 439529340 /nfs/dbraw/zinc/52/93/40/439529340.db2.gz YSMMYXRLXFREFC-GJZGRUSLSA-N 1 1 335.404 0.260 50 0 ECAAMO CC1(C)NC(=O)N(CCC[NH+]2CCN(c3cnccn3)CC2)C1=O ZINC000052458269 534978779 /nfs/dbraw/zinc/97/87/79/534978779.db2.gz QJEBDUODOCTMCA-UHFFFAOYSA-N 1 1 332.408 0.319 50 0 ECAAMO O=C(c1cc2c([nH]c1=O)CCC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000084338775 545709381 /nfs/dbraw/zinc/70/93/81/545709381.db2.gz GONYNPCUSVGKGQ-CQSZACIVSA-N 1 1 331.416 0.800 50 0 ECAAMO Nc1nc2n[nH]cc2c(N2CC[N@H+](C3CCSCC3)C[C@H](O)C2)n1 ZINC000097514253 545730923 /nfs/dbraw/zinc/73/09/23/545730923.db2.gz WIWQVHDXKLAFPR-NSHDSACASA-N 1 1 349.464 0.314 50 0 ECAAMO Cc1cc2nc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc(C)n2n1 ZINC000097551277 545733133 /nfs/dbraw/zinc/73/31/33/545733133.db2.gz BTRCYJQGYUJSFC-CYBMUJFWSA-N 1 1 344.419 0.273 50 0 ECAAMO Cc1[nH+]ccn1CCCNC(=O)c1coc(CN2CC[C@H](O)C2)n1 ZINC000685943960 549729481 /nfs/dbraw/zinc/72/94/81/549729481.db2.gz PVPWMODBWJHELE-ZDUSSCGKSA-N 1 1 333.392 0.566 50 0 ECAAMO CNS(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCOCC1)CC2 ZINC000072687469 610755307 /nfs/dbraw/zinc/75/53/07/610755307.db2.gz GNTFPBPHJKIPAN-UHFFFAOYSA-N 1 1 339.461 0.680 50 0 ECAAMO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000089937718 612810997 /nfs/dbraw/zinc/81/09/97/612810997.db2.gz XAQUUVAAIRUELW-YSKGHYERSA-N 1 1 337.445 0.770 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1CO ZINC000065428970 731765089 /nfs/dbraw/zinc/76/50/89/731765089.db2.gz HKBKSFLLNRIRRT-NEPJUHHUSA-N 1 1 340.807 0.835 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNC(=O)N2CCC(O)(Cn3ccnc3)CC2)C1 ZINC000426361269 752837818 /nfs/dbraw/zinc/83/78/18/752837818.db2.gz KUFBEWUQWRVGQC-HNNXBMFYSA-N 1 1 335.452 0.761 50 0 ECAAMO C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)Oc2ccccc2NC1=O ZINC000020366303 202040633 /nfs/dbraw/zinc/04/06/33/202040633.db2.gz SRQZKUALJSIHQC-KRWDZBQOSA-N 1 1 333.388 0.615 50 0 ECAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000020412113 202041526 /nfs/dbraw/zinc/04/15/26/202041526.db2.gz CXYWWVCEGJQTQT-CQSZACIVSA-N 1 1 330.388 0.415 50 0 ECAAMO COC(=O)c1oc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1C ZINC000029851248 202191730 /nfs/dbraw/zinc/19/17/30/202191730.db2.gz JVZMWDFNBIVKIO-UHFFFAOYSA-N 1 1 337.420 0.971 50 0 ECAAMO COC(=O)c1oc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1C ZINC000029851248 202191733 /nfs/dbraw/zinc/19/17/33/202191733.db2.gz JVZMWDFNBIVKIO-UHFFFAOYSA-N 1 1 337.420 0.971 50 0 ECAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000071870588 202350539 /nfs/dbraw/zinc/35/05/39/202350539.db2.gz ZFWVDAPOHPKMSH-UONOGXRCSA-N 1 1 340.449 0.779 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000071875861 202353004 /nfs/dbraw/zinc/35/30/04/202353004.db2.gz XYLWBLFMPYLBDM-RDJZCZTQSA-N 1 1 347.463 0.735 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000072234630 202356981 /nfs/dbraw/zinc/35/69/81/202356981.db2.gz MVQDOXRPWDJJFF-ZDUSSCGKSA-N 1 1 345.403 0.170 50 0 ECAAMO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302403 202363409 /nfs/dbraw/zinc/36/34/09/202363409.db2.gz NTXDZYXALUZRQU-LBPRGKRZSA-N 1 1 346.456 0.947 50 0 ECAAMO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302403 202363411 /nfs/dbraw/zinc/36/34/11/202363411.db2.gz NTXDZYXALUZRQU-LBPRGKRZSA-N 1 1 346.456 0.947 50 0 ECAAMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000074171072 202373371 /nfs/dbraw/zinc/37/33/71/202373371.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 1 1 325.501 0.606 50 0 ECAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000074171072 202373375 /nfs/dbraw/zinc/37/33/75/202373375.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 1 1 325.501 0.606 50 0 ECAAMO CC(C)OCCCNC(=O)C[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075604058 202382757 /nfs/dbraw/zinc/38/27/57/202382757.db2.gz RFXNYNLCLSCPLL-UHFFFAOYSA-N 1 1 340.468 0.750 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nc2)C1 ZINC000078602757 202397781 /nfs/dbraw/zinc/39/77/81/202397781.db2.gz OJVASWCYAVWBSK-CYBMUJFWSA-N 1 1 336.392 0.256 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@H](C)O1 ZINC000222196338 201033774 /nfs/dbraw/zinc/03/37/74/201033774.db2.gz NSACEAVOLYUGBM-ZNMIVQPWSA-N 1 1 349.479 0.371 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@H](C)O1 ZINC000222196338 201033777 /nfs/dbraw/zinc/03/37/77/201033777.db2.gz NSACEAVOLYUGBM-ZNMIVQPWSA-N 1 1 349.479 0.371 50 0 ECAAMO CCc1nc(CN2CCC[N@@H+](C[C@@H](O)Cn3cccn3)CC2)no1 ZINC000229529737 201042367 /nfs/dbraw/zinc/04/23/67/201042367.db2.gz XHZJGYIMPRUYAA-CQSZACIVSA-N 1 1 334.424 0.397 50 0 ECAAMO C[C@H]1CN(C(=O)C[NH+]2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000058343355 201142425 /nfs/dbraw/zinc/14/24/25/201142425.db2.gz DDSBXIMMEXQQSU-AWEZNQCLSA-N 1 1 336.436 0.302 50 0 ECAAMO C[N@H+](CCc1ccncc1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193462487 240173101 /nfs/dbraw/zinc/17/31/01/240173101.db2.gz YQUCLJKIXRSVFB-UHFFFAOYSA-N 1 1 340.431 0.695 50 0 ECAAMO C[N@@H+](CCc1ccncc1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193462487 240173107 /nfs/dbraw/zinc/17/31/07/240173107.db2.gz YQUCLJKIXRSVFB-UHFFFAOYSA-N 1 1 340.431 0.695 50 0 ECAAMO CN(C)c1ccc(C[NH+]2CCN(c3ccnc4nncn43)CC2)cn1 ZINC000216366096 241186137 /nfs/dbraw/zinc/18/61/37/241186137.db2.gz QONLMPJGNBKZGS-UHFFFAOYSA-N 1 1 338.419 0.908 50 0 ECAAMO O=c1oc2ccccc2n1CCN1CC[NH+](CCn2cncn2)CC1 ZINC000216478533 241194835 /nfs/dbraw/zinc/19/48/35/241194835.db2.gz PENYBRKVHRMBOB-UHFFFAOYSA-N 1 1 342.403 0.504 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229383779 242161438 /nfs/dbraw/zinc/16/14/38/242161438.db2.gz XDQBIOXGTPEDHZ-HOTGVXAUSA-N 1 1 341.415 0.925 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229386172 242164190 /nfs/dbraw/zinc/16/41/90/242164190.db2.gz CIGZHNGNPRBYSS-NEPJUHHUSA-N 1 1 348.432 0.234 50 0 ECAAMO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000244595029 243040232 /nfs/dbraw/zinc/04/02/32/243040232.db2.gz DNFGYNUNWMFQCH-UHFFFAOYSA-N 1 1 328.376 0.722 50 0 ECAAMO Cn1c(CO)nnc1C1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000244872830 243089110 /nfs/dbraw/zinc/08/91/10/243089110.db2.gz WFDXVMLVURBUTB-UHFFFAOYSA-N 1 1 335.452 0.889 50 0 ECAAMO C[C@H]1CN(C(=O)CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000069625087 203029193 /nfs/dbraw/zinc/02/91/93/203029193.db2.gz NYVTUKCYQOYQBC-WMZOPIPTSA-N 1 1 347.459 0.585 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000069508076 203010461 /nfs/dbraw/zinc/01/04/61/203010461.db2.gz TZEOFDZBIRDLSR-AWEZNQCLSA-N 1 1 345.399 0.970 50 0 ECAAMO CC(C)[N@@H+](C)CCNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000069509820 203010913 /nfs/dbraw/zinc/01/09/13/203010913.db2.gz OGPVGWHJJKSMLR-UHFFFAOYSA-N 1 1 332.404 0.536 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000069848107 203056323 /nfs/dbraw/zinc/05/63/23/203056323.db2.gz QMCQCKLMGZOMEF-DOMZBBRYSA-N 1 1 339.436 0.937 50 0 ECAAMO C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738445 203042215 /nfs/dbraw/zinc/04/22/15/203042215.db2.gz DIBJKSBMBZZDBP-FUHWJXTLSA-N 1 1 346.475 0.819 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000069773918 203046960 /nfs/dbraw/zinc/04/69/60/203046960.db2.gz ULAKGQMENQIBHE-CYBMUJFWSA-N 1 1 344.415 0.462 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000069876252 203059422 /nfs/dbraw/zinc/05/94/22/203059422.db2.gz KTAYWQDMSARDDS-UHFFFAOYSA-N 1 1 347.463 0.608 50 0 ECAAMO COCC[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000070016689 203070051 /nfs/dbraw/zinc/07/00/51/203070051.db2.gz VPZPUPACSUPJTO-OAHLLOKOSA-N 1 1 341.477 0.617 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CCC(C)CC1 ZINC000071871375 203133170 /nfs/dbraw/zinc/13/31/70/203133170.db2.gz RGJPHZHYQROOIR-XOYHFGRZSA-N 1 1 325.453 0.596 50 0 ECAAMO COc1ccc2nc(CCN(C)C(=O)C[C@H]3COCC[NH2+]3)[nH]c2c1 ZINC000072134652 203166167 /nfs/dbraw/zinc/16/61/67/203166167.db2.gz YMLUQVZLIVDTMP-LBPRGKRZSA-N 1 1 332.404 0.951 50 0 ECAAMO CCCc1ncncc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072156718 203174864 /nfs/dbraw/zinc/17/48/64/203174864.db2.gz FMWHBPXFBRILQI-OAHLLOKOSA-N 1 1 331.420 0.466 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1 ZINC000072268877 203187523 /nfs/dbraw/zinc/18/75/23/203187523.db2.gz VZCVFVWQNOMAOJ-OAHLLOKOSA-N 1 1 325.453 0.741 50 0 ECAAMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301480 203198048 /nfs/dbraw/zinc/19/80/48/203198048.db2.gz UQMRRSKQYIVJSA-SJLPKXTDSA-N 1 1 346.475 0.644 50 0 ECAAMO Cc1noc(C)c1CC(=O)N1C[C@H](O)[C@@H]([N@H+](C)Cc2cccnc2)C1 ZINC000072438333 203224943 /nfs/dbraw/zinc/22/49/43/203224943.db2.gz KJWNGLQMUDDBEA-IRXDYDNUSA-N 1 1 344.415 0.933 50 0 ECAAMO Cc1noc(C)c1CC(=O)N1C[C@H](O)[C@@H]([N@@H+](C)Cc2cccnc2)C1 ZINC000072438333 203224946 /nfs/dbraw/zinc/22/49/46/203224946.db2.gz KJWNGLQMUDDBEA-IRXDYDNUSA-N 1 1 344.415 0.933 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)CCCS(N)(=O)=O)CC2)c1 ZINC000072430844 203223153 /nfs/dbraw/zinc/22/31/53/203223153.db2.gz UPSUDOHMNBXXTK-UHFFFAOYSA-N 1 1 339.461 0.708 50 0 ECAAMO CCN1CCC([NH2+]CC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077420271 203386873 /nfs/dbraw/zinc/38/68/73/203386873.db2.gz NAGYSMPVWXGBGU-QGZVFWFLSA-N 1 1 349.479 0.450 50 0 ECAAMO COc1ccc(C[N@H+]2CCOC[C@H](CO)C2)cc1Cn1cncn1 ZINC000077504830 203392010 /nfs/dbraw/zinc/39/20/10/203392010.db2.gz HWUAJFBISYONFO-HNNXBMFYSA-N 1 1 332.404 0.776 50 0 ECAAMO O=c1c2cnc(N3CCCC3)[nH]c-2cn1CCC[NH+]1CCOCC1 ZINC000041123071 204006104 /nfs/dbraw/zinc/00/61/04/204006104.db2.gz IQMKBTWGMSTFNJ-UHFFFAOYSA-N 1 1 331.420 0.755 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(N)=O)C1 ZINC000106862167 204214504 /nfs/dbraw/zinc/21/45/04/204214504.db2.gz MTTFQECLXQWYNF-OLZOCXBDSA-N 1 1 336.440 0.744 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(N)=O)C1 ZINC000106862167 204214506 /nfs/dbraw/zinc/21/45/06/204214506.db2.gz MTTFQECLXQWYNF-OLZOCXBDSA-N 1 1 336.440 0.744 50 0 ECAAMO CC[NH+]1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1 ZINC000096192144 218661106 /nfs/dbraw/zinc/66/11/06/218661106.db2.gz JXJBIGXQQYDZDQ-UHFFFAOYSA-N 1 1 344.419 0.496 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000106582094 207762037 /nfs/dbraw/zinc/76/20/37/207762037.db2.gz YHOHMGXMRHIHLW-BXKDBHETSA-N 1 1 337.355 0.605 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000106582094 207762043 /nfs/dbraw/zinc/76/20/43/207762043.db2.gz YHOHMGXMRHIHLW-BXKDBHETSA-N 1 1 337.355 0.605 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000299771840 258084322 /nfs/dbraw/zinc/08/43/22/258084322.db2.gz YZOFRAHPXMYBDC-ZDUSSCGKSA-N 1 1 333.388 0.284 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000299771840 258084324 /nfs/dbraw/zinc/08/43/24/258084324.db2.gz YZOFRAHPXMYBDC-ZDUSSCGKSA-N 1 1 333.388 0.284 50 0 ECAAMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299776062 258086376 /nfs/dbraw/zinc/08/63/76/258086376.db2.gz KDMWLYLYABCKGJ-GJZGRUSLSA-N 1 1 330.392 0.936 50 0 ECAAMO COc1cccc(CC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000299785064 258092430 /nfs/dbraw/zinc/09/24/30/258092430.db2.gz QHVXZSDKQFBCNU-IRXDYDNUSA-N 1 1 333.432 0.057 50 0 ECAAMO COCCn1cnnc1CCNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000299798811 258102557 /nfs/dbraw/zinc/10/25/57/258102557.db2.gz STLPPHSKTCIIGB-INIZCTEOSA-N 1 1 343.431 0.640 50 0 ECAAMO COCCn1cnnc1CCNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000299798811 258102559 /nfs/dbraw/zinc/10/25/59/258102559.db2.gz STLPPHSKTCIIGB-INIZCTEOSA-N 1 1 343.431 0.640 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+](CC(=O)N2CCNC2=O)C2CC2)cc1 ZINC000025191354 258057624 /nfs/dbraw/zinc/05/76/24/258057624.db2.gz PNMWGKDEXLPQQK-UHFFFAOYSA-N 1 1 330.388 0.562 50 0 ECAAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)N2CCNC2=O)C2CC2)cc1 ZINC000025191354 258057626 /nfs/dbraw/zinc/05/76/26/258057626.db2.gz PNMWGKDEXLPQQK-UHFFFAOYSA-N 1 1 330.388 0.562 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000299760453 258077511 /nfs/dbraw/zinc/07/75/11/258077511.db2.gz SINSZIOKTTVRCA-HNNXBMFYSA-N 1 1 348.447 0.979 50 0 ECAAMO CC[N@@H+](Cc1cccc(C(=O)Nc2cn(C)nn2)c1)[C@H]1COC[C@@H]1O ZINC000067975396 276141242 /nfs/dbraw/zinc/14/12/42/276141242.db2.gz XJADZRAIOLLVNF-GJZGRUSLSA-N 1 1 345.403 0.649 50 0 ECAAMO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CNCCO1 ZINC000188247717 279867862 /nfs/dbraw/zinc/86/78/62/279867862.db2.gz SGPLKVKODDNFHZ-QGZVFWFLSA-N 1 1 333.432 0.248 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069950775 435978984 /nfs/dbraw/zinc/97/89/84/435978984.db2.gz KYYYIXJUDKKQDO-AWEZNQCLSA-N 1 1 337.464 0.693 50 0 ECAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000012855213 436057439 /nfs/dbraw/zinc/05/74/39/436057439.db2.gz VXBCYKZCRYVQRQ-CQSZACIVSA-N 1 1 339.461 0.783 50 0 ECAAMO CCS(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000015671262 436083323 /nfs/dbraw/zinc/08/33/23/436083323.db2.gz OQMIMIPLFPQZHC-UHFFFAOYSA-N 1 1 339.465 0.857 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC[N@H+](C)C1CC1 ZINC000075124458 436152578 /nfs/dbraw/zinc/15/25/78/436152578.db2.gz RFJSQZBTJAMHTJ-UHFFFAOYSA-N 1 1 341.415 0.893 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2ncccn2)CC1 ZINC000020647578 436110166 /nfs/dbraw/zinc/11/01/66/436110166.db2.gz JOYXMOBRBCVLTC-UHFFFAOYSA-N 1 1 333.436 0.532 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000078941627 436285028 /nfs/dbraw/zinc/28/50/28/436285028.db2.gz IAJYLNFDKGGJGL-SWLSCSKDSA-N 1 1 336.484 0.513 50 0 ECAAMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000032865647 436245897 /nfs/dbraw/zinc/24/58/97/436245897.db2.gz DZWJNDJVCBVBKF-NSHDSACASA-N 1 1 333.388 0.952 50 0 ECAAMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000040488220 436265493 /nfs/dbraw/zinc/26/54/93/436265493.db2.gz RTDOWSIORMQWJG-OAHLLOKOSA-N 1 1 325.434 0.428 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(S(N)(=O)=O)c1 ZINC000040534283 436266082 /nfs/dbraw/zinc/26/60/82/436266082.db2.gz YBCNPXMNJQNKDQ-LBPRGKRZSA-N 1 1 325.434 0.938 50 0 ECAAMO O=C(NCCc1ccccn1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042963114 436324096 /nfs/dbraw/zinc/32/40/96/436324096.db2.gz ATJVOLMPWNGJOW-WBVHZDCISA-N 1 1 348.447 0.661 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044934409 436353781 /nfs/dbraw/zinc/35/37/81/436353781.db2.gz UZLLIXKKQFZRTH-JSGCOSHPSA-N 1 1 329.466 0.401 50 0 ECAAMO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000044914334 436353815 /nfs/dbraw/zinc/35/38/15/436353815.db2.gz XMYCNIIJBKRIDX-UHFFFAOYSA-N 1 1 339.461 0.601 50 0 ECAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)C(=O)N3CCCCC3)cc2C1 ZINC000082108829 436361592 /nfs/dbraw/zinc/36/15/92/436361592.db2.gz QUHZUGKLMWROQS-UHFFFAOYSA-N 1 1 347.463 0.983 50 0 ECAAMO CNC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000046034719 436382985 /nfs/dbraw/zinc/38/29/85/436382985.db2.gz HPUKWBCKYCMRNT-UHFFFAOYSA-N 1 1 325.434 0.810 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)CCn2cnc3c(cnn3C)c2=O)C1 ZINC000046861289 436402967 /nfs/dbraw/zinc/40/29/67/436402967.db2.gz AVZWUFFULKIIRT-CYBMUJFWSA-N 1 1 346.435 0.368 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](C[C@H](O)Cn1cccn1)C[C@@H]2O ZINC000044975399 436359219 /nfs/dbraw/zinc/35/92/19/436359219.db2.gz TXHGYRRZIVRTAE-JSGCOSHPSA-N 1 1 333.388 0.810 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](C[C@H](O)Cn1cccn1)C[C@@H]2O ZINC000044975399 436359224 /nfs/dbraw/zinc/35/92/24/436359224.db2.gz TXHGYRRZIVRTAE-JSGCOSHPSA-N 1 1 333.388 0.810 50 0 ECAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000092066095 436467145 /nfs/dbraw/zinc/46/71/45/436467145.db2.gz NWLAIGXOIDJCQM-ZDUSSCGKSA-N 1 1 341.371 0.785 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCSCC1 ZINC000048275483 436446583 /nfs/dbraw/zinc/44/65/83/436446583.db2.gz AYPCVPGMZYRBPI-ZIAGYGMSSA-N 1 1 329.466 0.482 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000048251901 436446968 /nfs/dbraw/zinc/44/69/68/436446968.db2.gz DKBMULCECGEJKT-UHFFFAOYSA-N 1 1 344.415 0.577 50 0 ECAAMO O=C(c1cn2ccsc2n1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000092081683 436467403 /nfs/dbraw/zinc/46/74/03/436467403.db2.gz SUCUZTIRIMOLQC-STQMWFEESA-N 1 1 336.417 0.303 50 0 ECAAMO O=C(c1cn2ccsc2n1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000092081683 436467407 /nfs/dbraw/zinc/46/74/07/436467407.db2.gz SUCUZTIRIMOLQC-STQMWFEESA-N 1 1 336.417 0.303 50 0 ECAAMO Cc1csc2nc(C[N@H+]3CCC[C@H](CNC(N)=O)C3)cc(=O)n12 ZINC000048287347 436448266 /nfs/dbraw/zinc/44/82/66/436448266.db2.gz YDSSIORKUMDYHO-LLVKDONJSA-N 1 1 335.433 0.945 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC(OCc2cccnc2)CC1 ZINC000091462277 436450111 /nfs/dbraw/zinc/45/01/11/436450111.db2.gz ZNGNBXBUWPEKPJ-INIZCTEOSA-N 1 1 329.404 0.882 50 0 ECAAMO Cc1cnc(C)nc1N1CC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C[C@H]2C1 ZINC000091651406 436455941 /nfs/dbraw/zinc/45/59/41/436455941.db2.gz YWDQIKUGLUVGOK-YJBOKZPZSA-N 1 1 347.463 0.445 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]2CO)CC1 ZINC000091693649 436456567 /nfs/dbraw/zinc/45/65/67/436456567.db2.gz JLLGNBBBYUVMDM-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]2CO)CC1 ZINC000091693649 436456570 /nfs/dbraw/zinc/45/65/70/436456570.db2.gz JLLGNBBBYUVMDM-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]2CO)CC1 ZINC000091693649 436456573 /nfs/dbraw/zinc/45/65/73/436456573.db2.gz JLLGNBBBYUVMDM-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1CO ZINC000091695135 436458591 /nfs/dbraw/zinc/45/85/91/436458591.db2.gz VNMWWQNSNXMQEU-HUUCEWRRSA-N 1 1 335.448 0.566 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1CO ZINC000091695135 436458594 /nfs/dbraw/zinc/45/85/94/436458594.db2.gz VNMWWQNSNXMQEU-HUUCEWRRSA-N 1 1 335.448 0.566 50 0 ECAAMO NC(=O)C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCCO3)CC1 ZINC000091848904 436461901 /nfs/dbraw/zinc/46/19/01/436461901.db2.gz OCORNGWSNLOWKM-UHFFFAOYSA-N 1 1 347.415 0.661 50 0 ECAAMO COc1coc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)cc1=O ZINC000091849059 436463522 /nfs/dbraw/zinc/46/35/22/436463522.db2.gz BNXAHMQWPZUEPT-KRWDZBQOSA-N 1 1 336.388 0.455 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC1 ZINC000089937242 436422422 /nfs/dbraw/zinc/42/24/22/436422422.db2.gz SFEPEFBKGCLGLF-ZBFHGGJFSA-N 1 1 345.509 0.296 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000052876598 436519772 /nfs/dbraw/zinc/51/97/72/436519772.db2.gz RTDWLVANRIAUMT-UHFFFAOYSA-N 1 1 349.353 0.780 50 0 ECAAMO Cn1nccc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096193041 436520393 /nfs/dbraw/zinc/52/03/93/436520393.db2.gz AGKSFJDVUFMZRP-UHFFFAOYSA-N 1 1 341.415 0.494 50 0 ECAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000095363315 436492327 /nfs/dbraw/zinc/49/23/27/436492327.db2.gz QYXSXLWEABANJI-CYBMUJFWSA-N 1 1 348.451 0.123 50 0 ECAAMO C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095363315 436492330 /nfs/dbraw/zinc/49/23/30/436492330.db2.gz QYXSXLWEABANJI-CYBMUJFWSA-N 1 1 348.451 0.123 50 0 ECAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095363315 436492333 /nfs/dbraw/zinc/49/23/33/436492333.db2.gz QYXSXLWEABANJI-CYBMUJFWSA-N 1 1 348.451 0.123 50 0 ECAAMO COc1cc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(OC)n1 ZINC000095386256 436494351 /nfs/dbraw/zinc/49/43/51/436494351.db2.gz IYQGADCQBBLKSF-INIZCTEOSA-N 1 1 335.408 0.285 50 0 ECAAMO CC(C)[NH+]1CCC(C(=O)N2CCNC(=O)[C@H]2Cc2cnc[nH]2)CC1 ZINC000095521724 436497952 /nfs/dbraw/zinc/49/79/52/436497952.db2.gz IRKORSSCDSLTEU-OAHLLOKOSA-N 1 1 333.436 0.400 50 0 ECAAMO CN(C)c1nc(N2CCN(C(=O)CCn3ccnc3)CC2)cc[nH+]1 ZINC000096416576 436531520 /nfs/dbraw/zinc/53/15/20/436531520.db2.gz JXALVIRKFYNNSC-UHFFFAOYSA-N 1 1 329.408 0.478 50 0 ECAAMO Cn1cnnc1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436020 436533040 /nfs/dbraw/zinc/53/30/40/436533040.db2.gz ONXZVNFQCJPYDR-OAHLLOKOSA-N 1 1 329.404 0.722 50 0 ECAAMO Cn1cnnc1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436020 436533043 /nfs/dbraw/zinc/53/30/43/436533043.db2.gz ONXZVNFQCJPYDR-OAHLLOKOSA-N 1 1 329.404 0.722 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccccc1-c1nn[nH]n1 ZINC000097679948 436544314 /nfs/dbraw/zinc/54/43/14/436544314.db2.gz CZIQTIGRCKXDAY-LBPRGKRZSA-N 1 1 330.392 0.443 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103510024 436555630 /nfs/dbraw/zinc/55/56/30/436555630.db2.gz HLYBXHNONCQOLA-JHJVBQTASA-N 1 1 348.447 0.750 50 0 ECAAMO Cc1cc(C)n(CCCN(C)C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000055385085 436576430 /nfs/dbraw/zinc/57/64/30/436576430.db2.gz KDBMBYFIFOWTNL-HNNXBMFYSA-N 1 1 335.452 0.546 50 0 ECAAMO CC(C)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000055408351 436577075 /nfs/dbraw/zinc/57/70/75/436577075.db2.gz QNEMGFVIXNCHLW-KBPBESRZSA-N 1 1 331.459 0.872 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000106664860 436600519 /nfs/dbraw/zinc/60/05/19/436600519.db2.gz KIUKRJHDMQFJEB-OWCLPIDISA-N 1 1 333.436 0.913 50 0 ECAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000058201529 436621516 /nfs/dbraw/zinc/62/15/16/436621516.db2.gz JUMVMEWRUCWNNY-CYBMUJFWSA-N 1 1 338.452 0.993 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000060416585 436633169 /nfs/dbraw/zinc/63/31/69/436633169.db2.gz WCBFRXDRKCQJLI-KGLIPLIRSA-N 1 1 331.482 0.791 50 0 ECAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCc1cnn(C)c1 ZINC000195571518 436693798 /nfs/dbraw/zinc/69/37/98/436693798.db2.gz YOMOEFQBDITKHK-CQSZACIVSA-N 1 1 337.468 0.839 50 0 ECAAMO CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000219964280 436697263 /nfs/dbraw/zinc/69/72/63/436697263.db2.gz IALKVPVCSYKAKE-LBPRGKRZSA-N 1 1 328.438 0.376 50 0 ECAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230105 436708199 /nfs/dbraw/zinc/70/81/99/436708199.db2.gz BPUJENPFEWMECC-HUUCEWRRSA-N 1 1 328.453 0.876 50 0 ECAAMO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)no1 ZINC000065433675 436660906 /nfs/dbraw/zinc/66/09/06/436660906.db2.gz OMBOVPUQTSLGRO-AWEZNQCLSA-N 1 1 337.424 0.759 50 0 ECAAMO C[N@H+]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000065447407 436662018 /nfs/dbraw/zinc/66/20/18/436662018.db2.gz HDZRJRXXUFURAZ-UHFFFAOYSA-N 1 1 325.434 0.937 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)C2=NNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000065608057 436669174 /nfs/dbraw/zinc/66/91/74/436669174.db2.gz PNSQIHVSKHPNJB-INIZCTEOSA-N 1 1 343.431 0.357 50 0 ECAAMO C[C@H]1CN(c2ccc3nnnn3n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336658 436714657 /nfs/dbraw/zinc/71/46/57/436714657.db2.gz QNHOATLWDABEAR-DZGCQCFKSA-N 1 1 339.403 0.763 50 0 ECAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1sccc1S(N)(=O)=O)C2 ZINC000067712571 436720377 /nfs/dbraw/zinc/72/03/77/436720377.db2.gz VACVCWGUNZZLBZ-CQSZACIVSA-N 1 1 343.474 0.953 50 0 ECAAMO C[N@@H+]1CCO[C@@H](CCNC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000067818453 436725285 /nfs/dbraw/zinc/72/52/85/436725285.db2.gz MKGRSWKTNUZBLU-HNNXBMFYSA-N 1 1 332.404 0.667 50 0 ECAAMO C[N@H+]1CCO[C@@H](CCNC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000067818453 436725287 /nfs/dbraw/zinc/72/52/87/436725287.db2.gz MKGRSWKTNUZBLU-HNNXBMFYSA-N 1 1 332.404 0.667 50 0 ECAAMO CN(C[C@]1(C)CC[N@@H+](C)C1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067975665 436731067 /nfs/dbraw/zinc/73/10/67/436731067.db2.gz BYFUVXLWENBYNC-QGZVFWFLSA-N 1 1 336.436 0.921 50 0 ECAAMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3COCCN3)CC2)C[C@H](C)O1 ZINC000237606957 436739676 /nfs/dbraw/zinc/73/96/76/436739676.db2.gz LNDIWMYCVZTQCV-HLLBOEOZSA-N 1 1 339.480 0.713 50 0 ECAAMO C[C@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[NH2+]1 ZINC000237693841 436741676 /nfs/dbraw/zinc/74/16/76/436741676.db2.gz OUGHKSZZTUUWEJ-NSHDSACASA-N 1 1 332.447 0.214 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)[C@@H]1C ZINC000230212555 436716330 /nfs/dbraw/zinc/71/63/30/436716330.db2.gz UJWTYPQIZQEWFF-TUVASFSCSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)[C@@H]1C ZINC000230212555 436716336 /nfs/dbraw/zinc/71/63/36/436716336.db2.gz UJWTYPQIZQEWFF-TUVASFSCSA-N 1 1 345.509 0.928 50 0 ECAAMO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000229914429 436716461 /nfs/dbraw/zinc/71/64/61/436716461.db2.gz VBKDWXIOLMYTAC-HZPDHXFCSA-N 1 1 347.419 0.663 50 0 ECAAMO CCn1c(CN2CCN(CCCOC)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539147 436838010 /nfs/dbraw/zinc/83/80/10/436838010.db2.gz NUCILXFFTFIUAX-SHTZXODSSA-N 1 1 336.484 0.657 50 0 ECAAMO CCOC(=O)CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000253420168 436844498 /nfs/dbraw/zinc/84/44/98/436844498.db2.gz NBSIBLCVMWVPLP-CYBMUJFWSA-N 1 1 334.438 0.066 50 0 ECAAMO CCOC(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000253420168 436844501 /nfs/dbraw/zinc/84/45/01/436844501.db2.gz NBSIBLCVMWVPLP-CYBMUJFWSA-N 1 1 334.438 0.066 50 0 ECAAMO O=S(=O)([C@@H]1CCC[N@@H+](CCn2ccnc2)C1)N1CCOCC1 ZINC000253425758 436845797 /nfs/dbraw/zinc/84/57/97/436845797.db2.gz OLOQMJLMCVXTSJ-CQSZACIVSA-N 1 1 328.438 0.010 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000257177264 436856539 /nfs/dbraw/zinc/85/65/39/436856539.db2.gz WETIAJJVNJTITH-ZBFHGGJFSA-N 1 1 349.406 0.280 50 0 ECAAMO COc1cccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)c1 ZINC000257185442 436856630 /nfs/dbraw/zinc/85/66/30/436856630.db2.gz JNIZJMXTKGQKFO-WMLDXEAASA-N 1 1 334.416 0.897 50 0 ECAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000249695553 436826366 /nfs/dbraw/zinc/82/63/66/436826366.db2.gz QZMNRTQMQSVXNT-LSDHHAIUSA-N 1 1 343.493 0.192 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C ZINC000252496468 436833118 /nfs/dbraw/zinc/83/31/18/436833118.db2.gz PJCVVVSPUYUMFL-ZIAGYGMSSA-N 1 1 348.447 0.621 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1C ZINC000252496468 436833122 /nfs/dbraw/zinc/83/31/22/436833122.db2.gz PJCVVVSPUYUMFL-ZIAGYGMSSA-N 1 1 348.447 0.621 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000257366303 436877408 /nfs/dbraw/zinc/87/74/08/436877408.db2.gz QZFIZHZKWMGRDE-CGTJXYLNSA-N 1 1 339.480 0.666 50 0 ECAAMO O=C(Nc1nc2ccccn2n1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000133481837 436879792 /nfs/dbraw/zinc/87/97/92/436879792.db2.gz RCTWXALGSQRCAD-CYBMUJFWSA-N 1 1 330.392 0.915 50 0 ECAAMO O=C1C[C@H](C[NH+]2CCN(Cc3nc[nH]n3)CC2)CN1c1ccccc1 ZINC000299755002 437109659 /nfs/dbraw/zinc/10/96/59/437109659.db2.gz BHKBUPUXUKBKRH-OAHLLOKOSA-N 1 1 340.431 0.975 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)CC1 ZINC000299764400 437111154 /nfs/dbraw/zinc/11/11/54/437111154.db2.gz VMXRXIPOCDMQSJ-UHFFFAOYSA-N 1 1 346.362 0.759 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O ZINC000179909928 437279140 /nfs/dbraw/zinc/27/91/40/437279140.db2.gz HJPIYGJAOFGTJE-GDBMZVCRSA-N 1 1 347.463 0.678 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000190834263 437637947 /nfs/dbraw/zinc/63/79/47/437637947.db2.gz QBFOAOKIVJUMOK-OAHLLOKOSA-N 1 1 329.466 0.898 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000190834263 437637952 /nfs/dbraw/zinc/63/79/52/437637952.db2.gz QBFOAOKIVJUMOK-OAHLLOKOSA-N 1 1 329.466 0.898 50 0 ECAAMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000193360800 437707540 /nfs/dbraw/zinc/70/75/40/437707540.db2.gz IVGIDNKFHVCHCH-NSHDSACASA-N 1 1 332.447 0.381 50 0 ECAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1n[nH]c2c1CCC2 ZINC000426369404 438053526 /nfs/dbraw/zinc/05/35/26/438053526.db2.gz UCMQUACXJUPNSG-LBPRGKRZSA-N 1 1 328.420 0.878 50 0 ECAAMO O=C(NCCF)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426514485 438063025 /nfs/dbraw/zinc/06/30/25/438063025.db2.gz AELVTWXSQZZEHV-HQVVEAJESA-N 1 1 332.423 0.823 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc2c(c1)ncn2CCO ZINC000426536538 438065292 /nfs/dbraw/zinc/06/52/92/438065292.db2.gz RWNRGIQUICYGMT-RDJZCZTQSA-N 1 1 346.431 0.866 50 0 ECAAMO Cn1nccc1-c1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408517336 438581471 /nfs/dbraw/zinc/58/14/71/438581471.db2.gz HKOITFVPOMTUIQ-HNNXBMFYSA-N 1 1 325.372 0.823 50 0 ECAAMO Cn1nccc1-c1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408517336 438581473 /nfs/dbraw/zinc/58/14/73/438581473.db2.gz HKOITFVPOMTUIQ-HNNXBMFYSA-N 1 1 325.372 0.823 50 0 ECAAMO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000408517251 438581751 /nfs/dbraw/zinc/58/17/51/438581751.db2.gz DRTBYELXQNSJBF-CQSZACIVSA-N 1 1 331.482 0.645 50 0 ECAAMO NC(=O)c1nc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)no1 ZINC000584885886 439624847 /nfs/dbraw/zinc/62/48/47/439624847.db2.gz DZDBSUGFZNOHSF-UHFFFAOYSA-N 1 1 336.396 0.328 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCc1c(C)nc2ncnn2c1C ZINC000584901400 439625830 /nfs/dbraw/zinc/62/58/30/439625830.db2.gz ROVWGMJRSVAGHA-GJZGRUSLSA-N 1 1 346.435 0.509 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000084281241 545710309 /nfs/dbraw/zinc/71/03/09/545710309.db2.gz OWVCQLQALJDQOR-OAHLLOKOSA-N 1 1 332.408 0.777 50 0 ECAAMO Cc1nn(C)c(C)c1C[N@@H+](CCO)CCCS(=O)(=O)N(C)C ZINC000244858396 545935654 /nfs/dbraw/zinc/93/56/54/545935654.db2.gz VKIXNLXILTYSTL-UHFFFAOYSA-N 1 1 332.470 0.113 50 0 ECAAMO Cc1nn(C)c(C)c1C[N@H+](CCO)CCCS(=O)(=O)N(C)C ZINC000244858396 545935656 /nfs/dbraw/zinc/93/56/56/545935656.db2.gz VKIXNLXILTYSTL-UHFFFAOYSA-N 1 1 332.470 0.113 50 0 ECAAMO O=C(CCN1CCCCCC1=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670443557 548012396 /nfs/dbraw/zinc/01/23/96/548012396.db2.gz UUCOYQQHJOMHLK-OAHLLOKOSA-N 1 1 325.453 0.742 50 0 ECAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)c1ncc(Br)cn1 ZINC000169983817 564104056 /nfs/dbraw/zinc/10/40/56/564104056.db2.gz YGABKZNGZUPPGM-GFCCVEGCSA-N 1 1 344.257 0.284 50 0 ECAAMO CSCc1nc(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)cs1 ZINC000092099824 612535504 /nfs/dbraw/zinc/53/55/04/612535504.db2.gz HJORPCHKLIYZJE-SNVBAGLBSA-N 1 1 342.490 0.820 50 0 ECAAMO COC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072170579 608705551 /nfs/dbraw/zinc/70/55/51/608705551.db2.gz CBVAKYCVJOKLBU-NSHDSACASA-N 1 1 331.376 0.968 50 0 ECAAMO COC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072170579 608705553 /nfs/dbraw/zinc/70/55/53/608705553.db2.gz CBVAKYCVJOKLBU-NSHDSACASA-N 1 1 331.376 0.968 50 0 ECAAMO CCn1cc(S(=O)(=O)N2CC[C@@H]3COCC[N@H+](C)[C@@H]3C2)cn1 ZINC000169784290 609746210 /nfs/dbraw/zinc/74/62/10/609746210.db2.gz JTWYHWMAVHUNBS-TZMCWYRMSA-N 1 1 328.438 0.244 50 0 ECAAMO CCn1cc(S(=O)(=O)N2CC[C@@H]3COCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000169784290 609746211 /nfs/dbraw/zinc/74/62/11/609746211.db2.gz JTWYHWMAVHUNBS-TZMCWYRMSA-N 1 1 328.438 0.244 50 0 ECAAMO CS(=O)(=O)C1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000173501343 609780993 /nfs/dbraw/zinc/78/09/93/609780993.db2.gz PDFSRYLESQFWGJ-ROKHWSDSSA-N 1 1 329.466 0.832 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CCn2cccn2)C1 ZINC000952962168 612138578 /nfs/dbraw/zinc/13/85/78/612138578.db2.gz ABKGTMMRJQFFRP-CVEARBPZSA-N 1 1 347.463 0.852 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@](CO)(CC3CC3)C2)C1 ZINC000952966958 612138686 /nfs/dbraw/zinc/13/86/86/612138686.db2.gz GDXNONGMSMIBLO-CRAIPNDOSA-N 1 1 337.464 0.585 50 0 ECAAMO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CSC[NH2+]1)C(F)(F)F ZINC000153172490 282756988 /nfs/dbraw/zinc/75/69/88/282756988.db2.gz YIMIFOIDONWGOJ-KWQFWETISA-N 1 1 338.355 0.339 50 0 ECAAMO CCn1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cn1 ZINC000019770899 202019567 /nfs/dbraw/zinc/01/95/67/202019567.db2.gz UIUIFLUMSBKUTB-SFHVURJKSA-N 1 1 335.496 0.866 50 0 ECAAMO CCn1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cn1 ZINC000019770899 202019570 /nfs/dbraw/zinc/01/95/70/202019570.db2.gz UIUIFLUMSBKUTB-SFHVURJKSA-N 1 1 335.496 0.866 50 0 ECAAMO CCN1CC[NH+](C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019790670 202021188 /nfs/dbraw/zinc/02/11/88/202021188.db2.gz MUYVSKDKTTWJSF-HOTGVXAUSA-N 1 1 336.432 0.841 50 0 ECAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000024241153 202114925 /nfs/dbraw/zinc/11/49/25/202114925.db2.gz OKUGHLLKVSZQJS-ZDUSSCGKSA-N 1 1 342.403 0.219 50 0 ECAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000024241153 202114929 /nfs/dbraw/zinc/11/49/29/202114929.db2.gz OKUGHLLKVSZQJS-ZDUSSCGKSA-N 1 1 342.403 0.219 50 0 ECAAMO CN1N=C(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC1=O ZINC000024622656 202118520 /nfs/dbraw/zinc/11/85/20/202118520.db2.gz KTFYTBNRVGRBAE-UHFFFAOYSA-N 1 1 328.416 0.982 50 0 ECAAMO CNC(=O)C1CC[NH+](CC(=O)NCCOc2ccccc2OC)CC1 ZINC000025642639 202134867 /nfs/dbraw/zinc/13/48/67/202134867.db2.gz WVHWWMFBEOKQRE-UHFFFAOYSA-N 1 1 349.431 0.648 50 0 ECAAMO O=C(Cn1ncccc1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000038547244 202138773 /nfs/dbraw/zinc/13/87/73/202138773.db2.gz GEGBZLICJIIWTA-UHFFFAOYSA-N 1 1 326.400 0.630 50 0 ECAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000038718753 202146980 /nfs/dbraw/zinc/14/69/80/202146980.db2.gz JGNGEVRNPNYIPR-UHFFFAOYSA-N 1 1 330.344 0.353 50 0 ECAAMO Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000032825040 202236938 /nfs/dbraw/zinc/23/69/38/202236938.db2.gz IMGQUECDVBTGRQ-UHFFFAOYSA-N 1 1 333.417 0.999 50 0 ECAAMO CN(Cc1cccc(Cl)c1)C(=O)CN1CC[NH+](CCO)CC1 ZINC000069655664 202289808 /nfs/dbraw/zinc/28/98/08/202289808.db2.gz DVZNVQLKICOZNA-UHFFFAOYSA-N 1 1 325.840 0.908 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000069846522 202295480 /nfs/dbraw/zinc/29/54/80/202295480.db2.gz QZMNRTQMQSVXNT-CABCVRRESA-N 1 1 343.493 0.192 50 0 ECAAMO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc12 ZINC000072277698 202361124 /nfs/dbraw/zinc/36/11/24/202361124.db2.gz CRCQIWBJURZBHV-GFCCVEGCSA-N 1 1 335.433 0.745 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)no1 ZINC000076047333 202385978 /nfs/dbraw/zinc/38/59/78/202385978.db2.gz NWEDLTWUYQUKRG-AWEZNQCLSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)no1 ZINC000076047333 202385982 /nfs/dbraw/zinc/38/59/82/202385982.db2.gz NWEDLTWUYQUKRG-AWEZNQCLSA-N 1 1 337.424 0.179 50 0 ECAAMO O=C(c1ccco1)N1CCN(C(=O)[C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072454651 216242091 /nfs/dbraw/zinc/24/20/91/216242091.db2.gz NJNXYUHFMJLQKJ-AWEZNQCLSA-N 1 1 329.360 0.174 50 0 ECAAMO C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000221741448 201031594 /nfs/dbraw/zinc/03/15/94/201031594.db2.gz RMAOAFKZMATOOK-KBPBESRZSA-N 1 1 326.466 0.347 50 0 ECAAMO C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000221741448 201031599 /nfs/dbraw/zinc/03/15/99/201031599.db2.gz RMAOAFKZMATOOK-KBPBESRZSA-N 1 1 326.466 0.347 50 0 ECAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000181049056 201033448 /nfs/dbraw/zinc/03/34/48/201033448.db2.gz OFMCBJFSWNECSU-ZFWWWQNUSA-N 1 1 334.420 0.403 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCC1(c2ccccc2)CCC1 ZINC000042287246 202492592 /nfs/dbraw/zinc/49/25/92/202492592.db2.gz JENMPKSNEZJUCC-UHFFFAOYSA-N 1 1 331.460 0.834 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023006445 212341668 /nfs/dbraw/zinc/34/16/68/212341668.db2.gz NNRYTRAWLQTMTE-UHFFFAOYSA-N 1 1 349.387 0.235 50 0 ECAAMO CC[N@H+]1CCC[C@@H](CN2CCN(c3ccnc4nncn43)CC2)C1 ZINC000216168239 241171266 /nfs/dbraw/zinc/17/12/66/241171266.db2.gz SDMAUSDOWKYUOY-OAHLLOKOSA-N 1 1 329.452 0.978 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cccc(-n2cnnc2)c1 ZINC000216425953 241192914 /nfs/dbraw/zinc/19/29/14/241192914.db2.gz XVFKEONUPIKRQM-INIZCTEOSA-N 1 1 329.404 0.844 50 0 ECAAMO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000219185516 241368838 /nfs/dbraw/zinc/36/88/38/241368838.db2.gz QDNURLTXBDWHSO-LMLFDSFASA-N 1 1 348.856 0.378 50 0 ECAAMO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NS(=O)(=O)CCOc1ccccc1 ZINC000219363433 241381948 /nfs/dbraw/zinc/38/19/48/241381948.db2.gz GMSLFNSETUJOGZ-QKPAOTATSA-N 1 1 340.445 0.702 50 0 ECAAMO C[NH+](C)[C@H](C(=O)NCCN1CCNC1=O)c1ccc2c(c1)OCO2 ZINC000244787658 243081548 /nfs/dbraw/zinc/08/15/48/243081548.db2.gz QBBSMXJKGBNUDI-AWEZNQCLSA-N 1 1 334.376 0.159 50 0 ECAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000244874956 243095832 /nfs/dbraw/zinc/09/58/32/243095832.db2.gz XKCQLCIKGSYWCE-SFHVURJKSA-N 1 1 349.431 0.471 50 0 ECAAMO NC(=O)CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069571024 203021235 /nfs/dbraw/zinc/02/12/35/203021235.db2.gz HVOVDVAAIRTNNW-LBPRGKRZSA-N 1 1 329.397 0.444 50 0 ECAAMO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000069586618 203023429 /nfs/dbraw/zinc/02/34/29/203023429.db2.gz QWDMMQKLXTVZBT-GOEBONIOSA-N 1 1 333.432 0.523 50 0 ECAAMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069657105 203033030 /nfs/dbraw/zinc/03/30/30/203033030.db2.gz ZEDMDILBIDKNGH-WMZOPIPTSA-N 1 1 347.459 0.585 50 0 ECAAMO COc1ccnc(N2CC[NH+](C[C@H](O)COCc3ccco3)CC2)n1 ZINC000069816138 203053587 /nfs/dbraw/zinc/05/35/87/203053587.db2.gz RMSHLIAIELPAFH-AWEZNQCLSA-N 1 1 348.403 0.778 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000069738392 203041950 /nfs/dbraw/zinc/04/19/50/203041950.db2.gz NMUBHQOIXXRIQQ-DLBZAZTESA-N 1 1 340.512 0.582 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000069739892 203043751 /nfs/dbraw/zinc/04/37/51/203043751.db2.gz LZESCHQCPHEHCI-CQSZACIVSA-N 1 1 325.409 0.376 50 0 ECAAMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000069741404 203044374 /nfs/dbraw/zinc/04/43/74/203044374.db2.gz NRLXLIVFLBSAFS-ZBFHGGJFSA-N 1 1 333.432 0.625 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1nc(-c2ccco2)cs1 ZINC000069923623 203063531 /nfs/dbraw/zinc/06/35/31/203063531.db2.gz DZFBCBVNDFJDOU-UHFFFAOYSA-N 1 1 336.417 0.952 50 0 ECAAMO CCN1N=C(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC1=O ZINC000069946335 203065386 /nfs/dbraw/zinc/06/53/86/203065386.db2.gz LLVHHUHBAQWXLP-ZDUSSCGKSA-N 1 1 325.409 0.885 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1 ZINC000253536547 244012430 /nfs/dbraw/zinc/01/24/30/244012430.db2.gz HYBHQSJIXYEMKJ-CQSZACIVSA-N 1 1 348.447 0.980 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccncc3)C2)CC1 ZINC000071711980 203104214 /nfs/dbraw/zinc/10/42/14/203104214.db2.gz NAUZDPCEIXVDDI-HOTGVXAUSA-N 1 1 346.431 0.378 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccncc3)C2)CC1 ZINC000071711980 203104218 /nfs/dbraw/zinc/10/42/18/203104218.db2.gz NAUZDPCEIXVDDI-HOTGVXAUSA-N 1 1 346.431 0.378 50 0 ECAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071714680 203104527 /nfs/dbraw/zinc/10/45/27/203104527.db2.gz XSURFCNZXTYAHY-QGZVFWFLSA-N 1 1 346.475 0.867 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877130 203134709 /nfs/dbraw/zinc/13/47/09/203134709.db2.gz YHRAHFTZQUDUKJ-QFBILLFUSA-N 1 1 333.476 0.404 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877130 203134712 /nfs/dbraw/zinc/13/47/12/203134712.db2.gz YHRAHFTZQUDUKJ-QFBILLFUSA-N 1 1 333.476 0.404 50 0 ECAAMO O=S1(=O)CC[C@H](CNc2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072148127 203171528 /nfs/dbraw/zinc/17/15/28/203171528.db2.gz PLZKESLHJZDHQD-LLVKDONJSA-N 1 1 345.428 0.988 50 0 ECAAMO OC[C@]1(O)CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000072148868 203171933 /nfs/dbraw/zinc/17/19/33/203171933.db2.gz BYVWHRJHDTXYQT-HNNXBMFYSA-N 1 1 327.450 0.689 50 0 ECAAMO O=C(CCc1nc2ccccc2[nH]1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072163281 203177798 /nfs/dbraw/zinc/17/77/98/203177798.db2.gz CNOOCMKODPUQRG-HNNXBMFYSA-N 1 1 341.415 0.575 50 0 ECAAMO O=C([C@@H]1C[NH2+]CCN1C(=O)C1(Cn2cccn2)CC1)N1CCCC1 ZINC000072163814 203177944 /nfs/dbraw/zinc/17/79/44/203177944.db2.gz QYAOZKXJQQKQJX-AWEZNQCLSA-N 1 1 331.420 0.086 50 0 ECAAMO CCc1nn2c(nc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4C)cc2=O)s1 ZINC000072448036 203227414 /nfs/dbraw/zinc/22/74/14/203227414.db2.gz YUDYHBPCIPJNKX-CMPLNLGQSA-N 1 1 347.444 0.766 50 0 ECAAMO CCc1nn2c(nc(C[N@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4C)cc2=O)s1 ZINC000072448036 203227417 /nfs/dbraw/zinc/22/74/17/203227417.db2.gz YUDYHBPCIPJNKX-CMPLNLGQSA-N 1 1 347.444 0.766 50 0 ECAAMO Cc1cccc(NCCNC(=O)Cn2cnc3c(cnn3C)c2=O)[nH+]1 ZINC000075142167 203306642 /nfs/dbraw/zinc/30/66/42/203306642.db2.gz SVWUVMSDOGWNJE-UHFFFAOYSA-N 1 1 341.375 0.062 50 0 ECAAMO CC(C)[N@@H+](C)CCC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077322583 203379414 /nfs/dbraw/zinc/37/94/14/203379414.db2.gz BXCGNGUGOPZGMT-AWEZNQCLSA-N 1 1 335.452 0.453 50 0 ECAAMO Cc1cc2nc(C)c(CCC(=O)N3CC[NH+](CCO)CC3)c(C)n2n1 ZINC000089610768 203583887 /nfs/dbraw/zinc/58/38/87/203583887.db2.gz QEBJFEZRROUMJS-UHFFFAOYSA-N 1 1 345.447 0.724 50 0 ECAAMO COCC(=O)N1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@H]2CO ZINC000097568966 203950192 /nfs/dbraw/zinc/95/01/92/203950192.db2.gz MKNWGMGBXISDFD-HNNXBMFYSA-N 1 1 340.464 0.735 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106797394 204211268 /nfs/dbraw/zinc/21/12/68/204211268.db2.gz WSJRTFWPMHZENJ-MJBXVCDLSA-N 1 1 345.509 0.893 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000107409613 204237492 /nfs/dbraw/zinc/23/74/92/204237492.db2.gz FMQHDJHMMCPTCF-AWEZNQCLSA-N 1 1 333.432 0.921 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000107409613 204237496 /nfs/dbraw/zinc/23/74/96/204237496.db2.gz FMQHDJHMMCPTCF-AWEZNQCLSA-N 1 1 333.432 0.921 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000107409613 204237502 /nfs/dbraw/zinc/23/75/02/204237502.db2.gz FMQHDJHMMCPTCF-AWEZNQCLSA-N 1 1 333.432 0.921 50 0 ECAAMO COCCN1CC[C@@]2(CN(c3cnccn3)CC[N@H+]2C)CCC1=O ZINC000107651806 204241200 /nfs/dbraw/zinc/24/12/00/204241200.db2.gz JQZHOOVCCLFVJW-QGZVFWFLSA-N 1 1 333.436 0.626 50 0 ECAAMO COCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000237110421 204382253 /nfs/dbraw/zinc/38/22/53/204382253.db2.gz OEYCELXWHWJKOY-UHFFFAOYSA-N 1 1 334.825 0.959 50 0 ECAAMO CCn1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000091434023 218005342 /nfs/dbraw/zinc/00/53/42/218005342.db2.gz JOLNRGHDSRRFPT-HUUCEWRRSA-N 1 1 336.436 0.224 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]2CO)CC1 ZINC000091585844 218025055 /nfs/dbraw/zinc/02/50/55/218025055.db2.gz VTVBRXBGNCHIAY-IAGOWNOFSA-N 1 1 339.480 0.117 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]2CO)CC1 ZINC000091585844 218025059 /nfs/dbraw/zinc/02/50/59/218025059.db2.gz VTVBRXBGNCHIAY-IAGOWNOFSA-N 1 1 339.480 0.117 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]2CO)CC1 ZINC000091585844 218025061 /nfs/dbraw/zinc/02/50/61/218025061.db2.gz VTVBRXBGNCHIAY-IAGOWNOFSA-N 1 1 339.480 0.117 50 0 ECAAMO Cc1nc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc(=O)[nH]1 ZINC000299797279 258101101 /nfs/dbraw/zinc/10/11/01/258101101.db2.gz QJTJOFCFWYHISW-GUSZCTEKSA-N 1 1 335.404 0.479 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246646207 165139910 /nfs/dbraw/zinc/13/99/10/165139910.db2.gz IJRAFSXFCXZQOO-OWCLPIDISA-N 1 1 325.453 0.324 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246646207 165139914 /nfs/dbraw/zinc/13/99/14/165139914.db2.gz IJRAFSXFCXZQOO-OWCLPIDISA-N 1 1 325.453 0.324 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)CCn2cncn2)[C@H](c2ccccc2)C1 ZINC000089382537 277106057 /nfs/dbraw/zinc/10/60/57/277106057.db2.gz YADJGCCZGZTNIX-KRWDZBQOSA-N 1 1 342.447 0.773 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000069771857 277316359 /nfs/dbraw/zinc/31/63/59/277316359.db2.gz WUSNSMYHNIJUGR-OAHLLOKOSA-N 1 1 347.463 0.608 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000067895715 279395600 /nfs/dbraw/zinc/39/56/00/279395600.db2.gz PJTQVRLKZWYQKH-NSHDSACASA-N 1 1 326.422 0.797 50 0 ECAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC000069772384 288217095 /nfs/dbraw/zinc/21/70/95/288217095.db2.gz LVCKHEDVWVCJPL-ZDUSSCGKSA-N 1 1 333.498 0.895 50 0 ECAAMO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778618 290084271 /nfs/dbraw/zinc/08/42/71/290084271.db2.gz XDMVFZDNFVTAAB-NSHDSACASA-N 1 1 325.375 0.690 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1 ZINC000065533511 290311130 /nfs/dbraw/zinc/31/11/30/290311130.db2.gz FGTVWNJHTILLEM-OPTDUQHJSA-N 1 1 333.476 0.441 50 0 ECAAMO CCCN(CCC)S(=O)(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000331916298 296981770 /nfs/dbraw/zinc/98/17/70/296981770.db2.gz BMDDDJYYESOMEJ-UHFFFAOYSA-N 1 1 333.498 0.886 50 0 ECAAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000071876679 436020560 /nfs/dbraw/zinc/02/05/60/436020560.db2.gz LQHYUECAZLJLPY-AWEZNQCLSA-N 1 1 331.420 0.771 50 0 ECAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010386949 436039469 /nfs/dbraw/zinc/03/94/69/436039469.db2.gz MBJIZFFHEMNVNY-NSHDSACASA-N 1 1 348.407 0.710 50 0 ECAAMO CCNS(=O)(=O)c1ccc(NCC(C)(C)[NH+]2CCOCC2)nc1 ZINC000072275436 436039921 /nfs/dbraw/zinc/03/99/21/436039921.db2.gz SVZISBAOAWCWNK-UHFFFAOYSA-N 1 1 342.465 0.903 50 0 ECAAMO Cn1nc2c(cc1=O)CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000072302243 436042015 /nfs/dbraw/zinc/04/20/15/436042015.db2.gz DBSPXEYWEACEQE-QGZVFWFLSA-N 1 1 342.443 0.631 50 0 ECAAMO C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)[C@@H](C)CN1C(=O)CN(C)C1CC1 ZINC000072294431 436043645 /nfs/dbraw/zinc/04/36/45/436043645.db2.gz LSVRGRMGDVGTPW-KBPBESRZSA-N 1 1 336.480 0.623 50 0 ECAAMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C(=O)CN(C)C1CC1 ZINC000072294431 436043650 /nfs/dbraw/zinc/04/36/50/436043650.db2.gz LSVRGRMGDVGTPW-KBPBESRZSA-N 1 1 336.480 0.623 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)nc2c1CCCC2 ZINC000072473216 436044466 /nfs/dbraw/zinc/04/44/66/436044466.db2.gz NFSNVPXUFFZKFE-QGZVFWFLSA-N 1 1 340.431 0.933 50 0 ECAAMO CCCC[N@H+]1C[C@H](O)[C@@H](N2CCc3n[nH]c(C(=O)N(C)C)c3C2)C1 ZINC000072474343 436046937 /nfs/dbraw/zinc/04/69/37/436046937.db2.gz KMGFBXOSJVLXPV-GJZGRUSLSA-N 1 1 335.452 0.315 50 0 ECAAMO CCCC[N@@H+]1C[C@H](O)[C@@H](N2CCc3[nH]nc(C(=O)N(C)C)c3C2)C1 ZINC000072474343 436046943 /nfs/dbraw/zinc/04/69/43/436046943.db2.gz KMGFBXOSJVLXPV-GJZGRUSLSA-N 1 1 335.452 0.315 50 0 ECAAMO CCCC[N@H+]1C[C@H](O)[C@@H](N2CCc3[nH]nc(C(=O)N(C)C)c3C2)C1 ZINC000072474343 436046948 /nfs/dbraw/zinc/04/69/48/436046948.db2.gz KMGFBXOSJVLXPV-GJZGRUSLSA-N 1 1 335.452 0.315 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012911408 436057651 /nfs/dbraw/zinc/05/76/51/436057651.db2.gz HLYBXHNONCQOLA-FRRDWIJNSA-N 1 1 348.447 0.750 50 0 ECAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]3C2)c(C)c1 ZINC000014537690 436073109 /nfs/dbraw/zinc/07/31/09/436073109.db2.gz JMHIUYWXXLVKMZ-NUEKZKHPSA-N 1 1 331.416 0.195 50 0 ECAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]3C2)c(C)c1 ZINC000014537690 436073113 /nfs/dbraw/zinc/07/31/13/436073113.db2.gz JMHIUYWXXLVKMZ-NUEKZKHPSA-N 1 1 331.416 0.195 50 0 ECAAMO CCCNC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678754 436084602 /nfs/dbraw/zinc/08/46/02/436084602.db2.gz BWPGFXICAVWSJU-UHFFFAOYSA-N 1 1 331.424 0.335 50 0 ECAAMO COc1cccc(NC(=O)CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000024675121 436136582 /nfs/dbraw/zinc/13/65/82/436136582.db2.gz BIGYOZBTWYAMPG-UHFFFAOYSA-N 1 1 348.447 0.730 50 0 ECAAMO COc1cccc(NC(=O)CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000024675121 436136588 /nfs/dbraw/zinc/13/65/88/436136588.db2.gz BIGYOZBTWYAMPG-UHFFFAOYSA-N 1 1 348.447 0.730 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000025233127 436149297 /nfs/dbraw/zinc/14/92/97/436149297.db2.gz YCFBLZLPUOUJCH-OAHLLOKOSA-N 1 1 345.399 0.095 50 0 ECAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000215671286 301160043 /nfs/dbraw/zinc/16/00/43/301160043.db2.gz CGQUTNWSUNHLER-NSHDSACASA-N 1 1 346.353 0.919 50 0 ECAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[N@H+]2CCC[C@H](O)C2)n1 ZINC000215671286 301160047 /nfs/dbraw/zinc/16/00/47/301160047.db2.gz CGQUTNWSUNHLER-NSHDSACASA-N 1 1 346.353 0.919 50 0 ECAAMO Cc1cc(C)n(CC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000047636072 301238042 /nfs/dbraw/zinc/23/80/42/301238042.db2.gz MMEFEVPTVNUGIC-CVEARBPZSA-N 1 1 336.436 0.353 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000076055457 436188163 /nfs/dbraw/zinc/18/81/63/436188163.db2.gz ZJUJFGHULUYYLS-YJBOKZPZSA-N 1 1 333.480 0.837 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000040458867 436265191 /nfs/dbraw/zinc/26/51/91/436265191.db2.gz WIPOKWCYRQPRPD-KRWDZBQOSA-N 1 1 345.443 0.874 50 0 ECAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000042394117 436303232 /nfs/dbraw/zinc/30/32/32/436303232.db2.gz ZEUFBZGXENEXEF-BBRMVZONSA-N 1 1 334.420 0.754 50 0 ECAAMO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2nccs2)CC1 ZINC000044896491 436352956 /nfs/dbraw/zinc/35/29/56/436352956.db2.gz FDQZHCSSTLOEDZ-ZIAGYGMSSA-N 1 1 327.450 0.822 50 0 ECAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)ccn1 ZINC000042870853 436320092 /nfs/dbraw/zinc/32/00/92/436320092.db2.gz SSAHLXMHMWCRRB-ZDUSSCGKSA-N 1 1 349.416 0.562 50 0 ECAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000043305249 436329587 /nfs/dbraw/zinc/32/95/87/436329587.db2.gz DIVBUGJSUFKWEY-GJZGRUSLSA-N 1 1 325.453 0.814 50 0 ECAAMO O=C(CN1CCOC1=O)N1C[C@@H]2CC[N@@H+](Cc3ccncc3)[C@@H]2C1 ZINC000082134908 436360746 /nfs/dbraw/zinc/36/07/46/436360746.db2.gz QYCJANJLWFWHPY-LSDHHAIUSA-N 1 1 330.388 0.567 50 0 ECAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000082120646 436361392 /nfs/dbraw/zinc/36/13/92/436361392.db2.gz GNLUXMYKLOCVAY-CQSZACIVSA-N 1 1 337.445 0.863 50 0 ECAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000085469708 436390393 /nfs/dbraw/zinc/39/03/93/436390393.db2.gz BLLHUYARVRNXGY-HNNXBMFYSA-N 1 1 345.403 0.032 50 0 ECAAMO CC[C@@](C)(CNC(=O)c1cnc2ccccn2c1=O)[NH+]1CCOCC1 ZINC000044919081 436354401 /nfs/dbraw/zinc/35/44/01/436354401.db2.gz STWQLVULGLYKDK-SFHVURJKSA-N 1 1 344.415 0.925 50 0 ECAAMO CCN(C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000044937977 436354449 /nfs/dbraw/zinc/35/44/49/436354449.db2.gz VVQVGXDSOBGTHR-ZFWWWQNUSA-N 1 1 344.477 0.523 50 0 ECAAMO CCN(C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000044937977 436354450 /nfs/dbraw/zinc/35/44/50/436354450.db2.gz VVQVGXDSOBGTHR-ZFWWWQNUSA-N 1 1 344.477 0.523 50 0 ECAAMO Cn1ncc2c1ncn(CCC(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)c2=O ZINC000044941724 436355154 /nfs/dbraw/zinc/35/51/54/436355154.db2.gz JXGFKNPNZRAYRS-UONOGXRCSA-N 1 1 344.419 0.263 50 0 ECAAMO O=C(NCc1cc[nH]n1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000048280067 436446689 /nfs/dbraw/zinc/44/66/89/436446689.db2.gz WYLHQSIJLBRRBU-MRXNPFEDSA-N 1 1 329.404 0.628 50 0 ECAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Cn2cnnn2)C[C@@H](C)O1 ZINC000048331481 436449393 /nfs/dbraw/zinc/44/93/93/436449393.db2.gz XHHLUXLGYLARRA-ZIAGYGMSSA-N 1 1 344.419 0.599 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000048368824 436450806 /nfs/dbraw/zinc/45/08/06/436450806.db2.gz LQEFRTXTXLBBRI-UHFFFAOYSA-N 1 1 341.415 0.481 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1CO ZINC000091380752 436450947 /nfs/dbraw/zinc/45/09/47/436450947.db2.gz NGNVDKYVPCPVLL-ZIAGYGMSSA-N 1 1 342.386 0.498 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000091563481 436454520 /nfs/dbraw/zinc/45/45/20/436454520.db2.gz CDXNMUXMMAHPHP-HIFRSBDPSA-N 1 1 348.447 0.560 50 0 ECAAMO CSCc1noc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)n1 ZINC000091587443 436455464 /nfs/dbraw/zinc/45/54/64/436455464.db2.gz AZDIYRCKOAIHPN-HNNXBMFYSA-N 1 1 339.465 0.719 50 0 ECAAMO COCCN1CCC[C@]2(CCN(C(=O)Cn3c[nH+]c(C)c3C)C2)C1=O ZINC000091906427 436462556 /nfs/dbraw/zinc/46/25/56/436462556.db2.gz JBVYYNPGUAJBFF-GOSISDBHSA-N 1 1 348.447 0.987 50 0 ECAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1c(CO)cnc(C)c1O)C2 ZINC000091849331 436463022 /nfs/dbraw/zinc/46/30/22/436463022.db2.gz HXDLOBNBZYIFFN-DZGCQCFKSA-N 1 1 349.431 0.657 50 0 ECAAMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089499565 436411723 /nfs/dbraw/zinc/41/17/23/436411723.db2.gz CRMWUMFHIGXAOV-LBPRGKRZSA-N 1 1 341.415 0.845 50 0 ECAAMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089499565 436411726 /nfs/dbraw/zinc/41/17/26/436411726.db2.gz CRMWUMFHIGXAOV-LBPRGKRZSA-N 1 1 341.415 0.845 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)n1C ZINC000089736028 436415418 /nfs/dbraw/zinc/41/54/18/436415418.db2.gz HVHQSELFEMDANZ-INIZCTEOSA-N 1 1 342.447 0.929 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C2)no1 ZINC000089718286 436416234 /nfs/dbraw/zinc/41/62/34/436416234.db2.gz MZLQVHPWDDMXBG-KBPBESRZSA-N 1 1 337.424 0.037 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C2)no1 ZINC000089718286 436416237 /nfs/dbraw/zinc/41/62/37/436416237.db2.gz MZLQVHPWDDMXBG-KBPBESRZSA-N 1 1 337.424 0.037 50 0 ECAAMO c1cnn(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000089885032 436418642 /nfs/dbraw/zinc/41/86/42/436418642.db2.gz YKQPIBTVIUAFCZ-UHFFFAOYSA-N 1 1 343.435 0.332 50 0 ECAAMO CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000089893602 436420045 /nfs/dbraw/zinc/42/00/45/436420045.db2.gz FVAFXBVYUWHSHW-AWEZNQCLSA-N 1 1 347.423 0.908 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000096138921 436515101 /nfs/dbraw/zinc/51/51/01/436515101.db2.gz QVFXWSGDVJNJLZ-RDTXWAMCSA-N 1 1 346.431 0.105 50 0 ECAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@H]2C[NH2+]CCO2)CC3)cc1 ZINC000096152556 436517093 /nfs/dbraw/zinc/51/70/93/436517093.db2.gz PSMLVWHZJCAJJD-MRXNPFEDSA-N 1 1 342.399 0.958 50 0 ECAAMO C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCC[NH+]3CCN(C)CC3)cc2C1 ZINC000049551168 436468650 /nfs/dbraw/zinc/46/86/50/436468650.db2.gz PTLMOAYOKCMLDG-AWEZNQCLSA-N 1 1 346.475 0.867 50 0 ECAAMO Cc1ncsc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000051100255 436481051 /nfs/dbraw/zinc/48/10/51/436481051.db2.gz NLRCMFHUCDWHMS-VIFPVBQESA-N 1 1 339.421 0.229 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097643 436481760 /nfs/dbraw/zinc/48/17/60/436481760.db2.gz KKAREDMNTALHQG-UHFFFAOYSA-N 1 1 336.392 0.628 50 0 ECAAMO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)n1 ZINC000095353943 436491311 /nfs/dbraw/zinc/49/13/11/436491311.db2.gz PXCHDRUMAFSPFP-GOEBONIOSA-N 1 1 347.463 0.876 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)cc(=O)[nH]1 ZINC000095367549 436491875 /nfs/dbraw/zinc/49/18/75/436491875.db2.gz GCLSRYVWFJBNID-INIZCTEOSA-N 1 1 326.400 0.794 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)cc(=O)[nH]1 ZINC000095367549 436491881 /nfs/dbraw/zinc/49/18/81/436491881.db2.gz GCLSRYVWFJBNID-INIZCTEOSA-N 1 1 326.400 0.794 50 0 ECAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000095362809 436492276 /nfs/dbraw/zinc/49/22/76/436492276.db2.gz LJZFCOFCUHSCHH-OAHLLOKOSA-N 1 1 347.463 0.770 50 0 ECAAMO Cn1cnn(-c2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2)c1=O ZINC000097052332 436538030 /nfs/dbraw/zinc/53/80/30/436538030.db2.gz BNRKSIHHDHMDPV-UHFFFAOYSA-N 1 1 330.392 0.740 50 0 ECAAMO CC(C)Cn1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000097237627 436541468 /nfs/dbraw/zinc/54/14/68/436541468.db2.gz QTQBTIVEVLSQDA-INIZCTEOSA-N 1 1 347.463 0.918 50 0 ECAAMO Cc1cc2c(cc1CN1CCN(C3CC[NH2+]CC3)C[C@H](O)C1)OCO2 ZINC000097679986 436543383 /nfs/dbraw/zinc/54/33/83/436543383.db2.gz NESCAIMGIDMNTP-QGZVFWFLSA-N 1 1 347.459 0.954 50 0 ECAAMO CNc1cc[nH+]c(N2CCN(C(=O)c3ccccc3)C[C@H](O)C2)n1 ZINC000097635063 436543838 /nfs/dbraw/zinc/54/38/38/436543838.db2.gz GLYVNHPBZKDIPI-AWEZNQCLSA-N 1 1 327.388 0.842 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000054222873 436547974 /nfs/dbraw/zinc/54/79/74/436547974.db2.gz ZBXPDNRCFYVNHY-GFCCVEGCSA-N 1 1 327.388 0.503 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000058283010 436623203 /nfs/dbraw/zinc/62/32/03/436623203.db2.gz VOUIWANRBWFDFY-AWEZNQCLSA-N 1 1 348.447 0.699 50 0 ECAAMO CCN(CC)c1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000058277815 436623207 /nfs/dbraw/zinc/62/32/07/436623207.db2.gz QVXPNOLRMSRVLM-UHFFFAOYSA-N 1 1 333.436 0.607 50 0 ECAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)NC(N)=O)C2)n1 ZINC000058343108 436623839 /nfs/dbraw/zinc/62/38/39/436623839.db2.gz RXWNMAOMFIDISW-GFCCVEGCSA-N 1 1 333.392 0.626 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(c3nccs3)CC2)C[C@H](C)O1 ZINC000106629912 436600153 /nfs/dbraw/zinc/60/01/53/436600153.db2.gz XXOGFBYQIGCBOP-ZNMIVQPWSA-N 1 1 340.493 0.735 50 0 ECAAMO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000057553405 436613005 /nfs/dbraw/zinc/61/30/05/436613005.db2.gz ZRVLHOCAIOWPBU-ZDUSSCGKSA-N 1 1 347.415 0.787 50 0 ECAAMO O=S(=O)(CCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)N1CCCC1 ZINC000063868271 436647509 /nfs/dbraw/zinc/64/75/09/436647509.db2.gz QXGYXMWAEFHHHJ-HZPDHXFCSA-N 1 1 345.509 0.381 50 0 ECAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000220738894 436700852 /nfs/dbraw/zinc/70/08/52/436700852.db2.gz NGFLZMZQEBZAMX-GJZGRUSLSA-N 1 1 330.388 0.232 50 0 ECAAMO CSc1ncc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cn1 ZINC000221423730 436701266 /nfs/dbraw/zinc/70/12/66/436701266.db2.gz YWUTWDOJECJMOW-UHFFFAOYSA-N 1 1 349.460 0.625 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000065444011 436661465 /nfs/dbraw/zinc/66/14/65/436661465.db2.gz FOTIUIGGSYQCHB-UHFFFAOYSA-N 1 1 340.449 0.442 50 0 ECAAMO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2nccn2CCOC)CC1 ZINC000065463348 436663516 /nfs/dbraw/zinc/66/35/16/436663516.db2.gz IDHLTSASKBEVIJ-UHFFFAOYSA-N 1 1 334.424 0.814 50 0 ECAAMO CC[N@@H+]1CCCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000065494910 436664919 /nfs/dbraw/zinc/66/49/19/436664919.db2.gz MNYZYPGNJPALBU-UHFFFAOYSA-N 1 1 337.449 0.993 50 0 ECAAMO CC[N@H+]1CCCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000065494910 436664921 /nfs/dbraw/zinc/66/49/21/436664921.db2.gz MNYZYPGNJPALBU-UHFFFAOYSA-N 1 1 337.449 0.993 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000065607602 436669439 /nfs/dbraw/zinc/66/94/39/436669439.db2.gz YHOHMGXMRHIHLW-SKDRFNHKSA-N 1 1 337.355 0.605 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000065607602 436669441 /nfs/dbraw/zinc/66/94/41/436669441.db2.gz YHOHMGXMRHIHLW-SKDRFNHKSA-N 1 1 337.355 0.605 50 0 ECAAMO CCC[C@]1(COC)CCC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000194944370 436675919 /nfs/dbraw/zinc/67/59/19/436675919.db2.gz IICPCCBPEBQTLY-QGZVFWFLSA-N 1 1 325.453 0.958 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)C[C@@H](C)O1 ZINC000229514874 436714447 /nfs/dbraw/zinc/71/44/47/436714447.db2.gz FTLHGAJVIWBVAJ-QBPKDAKJSA-N 1 1 337.468 0.460 50 0 ECAAMO CCN(CC)C(=O)c1cn(C2CCN(c3cc[nH+]c(N)n3)CC2)nn1 ZINC000067690861 436720623 /nfs/dbraw/zinc/72/06/23/436720623.db2.gz IPHNRUAXEORLRU-UHFFFAOYSA-N 1 1 344.423 0.974 50 0 ECAAMO C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C(=O)[O-] ZINC000067855016 436727193 /nfs/dbraw/zinc/72/71/93/436727193.db2.gz OESAIVALPRIORW-OAHLLOKOSA-N 1 1 335.404 0.719 50 0 ECAAMO O=C(Cc1noc2ccccc12)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067852466 436727471 /nfs/dbraw/zinc/72/74/71/436727471.db2.gz YRFPEPXZQPCWRW-UHFFFAOYSA-N 1 1 328.372 0.451 50 0 ECAAMO Cc1nc(CC(C)C)cc(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)n1 ZINC000067967808 436730275 /nfs/dbraw/zinc/73/02/75/436730275.db2.gz RVNXRVKSPKGYBV-UHFFFAOYSA-N 1 1 345.447 0.678 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000229915245 436717441 /nfs/dbraw/zinc/71/74/41/436717441.db2.gz LGAKRHVQENBEHS-HZPDHXFCSA-N 1 1 347.467 0.370 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000247955951 436797936 /nfs/dbraw/zinc/79/79/36/436797936.db2.gz VHOYKKPYZDZBQZ-GJZGRUSLSA-N 1 1 333.436 0.523 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@H]1Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000247955951 436797937 /nfs/dbraw/zinc/79/79/37/436797937.db2.gz VHOYKKPYZDZBQZ-GJZGRUSLSA-N 1 1 333.436 0.523 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000247971644 436798406 /nfs/dbraw/zinc/79/84/06/436798406.db2.gz YTXCAZSOJPXGHT-HOCLYGCPSA-N 1 1 348.451 0.212 50 0 ECAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000248113051 436801176 /nfs/dbraw/zinc/80/11/76/436801176.db2.gz HXQAFJWBAJPOBU-JKSUJKDBSA-N 1 1 341.415 0.877 50 0 ECAAMO Cc1cc(C[N@H+]2C[C@@H](COCC(N)=O)[C@H](c3ccccn3)C2)n(C)n1 ZINC000257177987 436856859 /nfs/dbraw/zinc/85/68/59/436856859.db2.gz YQRLTMRFIXFTSU-GOEBONIOSA-N 1 1 343.431 0.841 50 0 ECAAMO C[C@@H]1CN(C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739119 437107740 /nfs/dbraw/zinc/10/77/40/437107740.db2.gz KTSKCZVTDMQWFZ-GDBMZVCRSA-N 1 1 325.453 0.467 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc(F)c3)[C@@H]2C1 ZINC000332771045 437248946 /nfs/dbraw/zinc/24/89/46/437248946.db2.gz RRUVODHLKTZLCO-HUUCEWRRSA-N 1 1 335.379 0.487 50 0 ECAAMO O=C(NCCF)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426514464 438061935 /nfs/dbraw/zinc/06/19/35/438061935.db2.gz AELVTWXSQZZEHV-BFHRDPOASA-N 1 1 332.423 0.823 50 0 ECAAMO Cn1nccc1-c1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408517337 438581316 /nfs/dbraw/zinc/58/13/16/438581316.db2.gz HKOITFVPOMTUIQ-OAHLLOKOSA-N 1 1 325.372 0.823 50 0 ECAAMO Cn1nccc1-c1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408517337 438581318 /nfs/dbraw/zinc/58/13/18/438581318.db2.gz HKOITFVPOMTUIQ-OAHLLOKOSA-N 1 1 325.372 0.823 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000244678500 524224324 /nfs/dbraw/zinc/22/43/24/524224324.db2.gz IESBITZIEDMCJD-CABCVRRESA-N 1 1 345.509 0.896 50 0 ECAAMO CNc1nc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cs1 ZINC000215532755 536423008 /nfs/dbraw/zinc/42/30/08/536423008.db2.gz KRPGNNBDYKCESV-UHFFFAOYSA-N 1 1 337.449 0.611 50 0 ECAAMO Cn1c(C[NH2+][C@H]2CCc3cc(F)ccc32)nc2c1c(=O)[nH]c(=O)n2C ZINC000170085171 545864047 /nfs/dbraw/zinc/86/40/47/545864047.db2.gz DXTCVFOLPZKFJP-LBPRGKRZSA-N 1 1 343.362 0.877 50 0 ECAAMO CN(C)C1=NC2(CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)C(=O)N1 ZINC000244866652 545936562 /nfs/dbraw/zinc/93/65/62/545936562.db2.gz VZZLTPFIDHFQCV-UHFFFAOYSA-N 1 1 344.375 0.712 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccccc1-n1cncn1 ZINC000670436148 548010345 /nfs/dbraw/zinc/01/03/45/548010345.db2.gz TVGMJOPDMIQYJO-AWEZNQCLSA-N 1 1 329.404 0.844 50 0 ECAAMO O=C(NCc1cccnc1-n1cccn1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677862277 548962866 /nfs/dbraw/zinc/96/28/66/548962866.db2.gz INQLKKVIHFWZCY-HNNXBMFYSA-N 1 1 326.404 0.273 50 0 ECAAMO C[C@@H](CNC(=O)N1CCOC[C@H]1CO)[N@H+]1CCc2ccccc2C1 ZINC000864094389 590055552 /nfs/dbraw/zinc/05/55/52/590055552.db2.gz TVZJXLRHCLICOB-WMLDXEAASA-N 1 1 333.432 0.836 50 0 ECAAMO CCn1nccc1C(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](C)C3)C1 ZINC000169791739 609747246 /nfs/dbraw/zinc/74/72/46/609747246.db2.gz HLWATGPPZVHOON-CYBMUJFWSA-N 1 1 343.435 0.960 50 0 ECAAMO C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981795 612139896 /nfs/dbraw/zinc/13/98/96/612139896.db2.gz VFLVXBGGLGKEPA-GOEBONIOSA-N 1 1 346.475 0.997 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCCn2ncc3ccccc32)C1 ZINC000952988347 612140367 /nfs/dbraw/zinc/14/03/67/612140367.db2.gz PQPIFXAGWPFODP-OAHLLOKOSA-N 1 1 343.431 0.740 50 0 ECAAMO CSCc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091707739 612910660 /nfs/dbraw/zinc/91/06/60/612910660.db2.gz CJPBJGAMWFZLHL-OAHLLOKOSA-N 1 1 340.449 0.739 50 0 ECAAMO CSCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091707739 612910661 /nfs/dbraw/zinc/91/06/61/612910661.db2.gz CJPBJGAMWFZLHL-OAHLLOKOSA-N 1 1 340.449 0.739 50 0 ECAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccccc3F)C[C@H]2O)CC1 ZINC000022852497 735522890 /nfs/dbraw/zinc/52/28/90/735522890.db2.gz ZOKZLGBBLKSNHF-QZTJIDSGSA-N 1 1 349.450 0.968 50 0 ECAAMO CC(C)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803500 740836967 /nfs/dbraw/zinc/83/69/67/740836967.db2.gz ZYGDLRYEECMGHN-OAHLLOKOSA-N 1 1 337.464 0.814 50 0 ECAAMO CC(C)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803496 740837064 /nfs/dbraw/zinc/83/70/64/740837064.db2.gz ZYGDLRYEECMGHN-HNNXBMFYSA-N 1 1 337.464 0.814 50 0 ECAAMO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2n[nH]c(-c3ccncc3)n2)C1 ZINC000299769742 742087105 /nfs/dbraw/zinc/08/71/05/742087105.db2.gz PRDFGLZPSHTTQN-CYBMUJFWSA-N 1 1 329.408 0.119 50 0 ECAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1C ZINC000040520406 213333037 /nfs/dbraw/zinc/33/30/37/213333037.db2.gz FFKWVTFVZDOITE-UHFFFAOYSA-N 1 1 344.415 0.679 50 0 ECAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1C ZINC000040520406 213333041 /nfs/dbraw/zinc/33/30/41/213333041.db2.gz FFKWVTFVZDOITE-UHFFFAOYSA-N 1 1 344.415 0.679 50 0 ECAAMO CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(C)C ZINC000023159483 202098591 /nfs/dbraw/zinc/09/85/91/202098591.db2.gz IDRQRNMXEPGBOP-MRXNPFEDSA-N 1 1 349.479 0.968 50 0 ECAAMO CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000023159483 202098595 /nfs/dbraw/zinc/09/85/95/202098595.db2.gz IDRQRNMXEPGBOP-MRXNPFEDSA-N 1 1 349.479 0.968 50 0 ECAAMO CC[C@](C)(CNC(=O)Cc1c(C)nc(C)[nH]c1=O)[NH+]1CCOCC1 ZINC000031419263 202206083 /nfs/dbraw/zinc/20/60/83/202206083.db2.gz DIKQOCNDILVXHJ-QGZVFWFLSA-N 1 1 336.436 0.546 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000069707027 202291905 /nfs/dbraw/zinc/29/19/05/202291905.db2.gz FWCGCNMVDGQCDP-INIZCTEOSA-N 1 1 348.451 0.050 50 0 ECAAMO Cc1ccsc1C[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000036383836 202323385 /nfs/dbraw/zinc/32/33/85/202323385.db2.gz NBNNFAIUVOVKNE-UHFFFAOYSA-N 1 1 336.417 0.351 50 0 ECAAMO Cc1ccsc1C[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000036383836 202323388 /nfs/dbraw/zinc/32/33/88/202323388.db2.gz NBNNFAIUVOVKNE-UHFFFAOYSA-N 1 1 336.417 0.351 50 0 ECAAMO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000229526535 201042209 /nfs/dbraw/zinc/04/22/09/201042209.db2.gz AAERKQVRIBOKMO-MCIONIFRSA-N 1 1 347.415 0.481 50 0 ECAAMO C[C@H]1CN(CCN2C(=O)CNC2=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544845 201042238 /nfs/dbraw/zinc/04/22/38/201042238.db2.gz QGMFUSLKXVTTLO-GOEBONIOSA-N 1 1 346.431 0.278 50 0 ECAAMO COc1ccccc1[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH+](C)C ZINC000044916984 202535392 /nfs/dbraw/zinc/53/53/92/202535392.db2.gz DOETVONPVLAKGR-ZDUSSCGKSA-N 1 1 343.449 0.306 50 0 ECAAMO Cc1nc(N)ncc1C(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000216138177 241168625 /nfs/dbraw/zinc/16/86/25/241168625.db2.gz OQDAXXBTWJCEPC-UHFFFAOYSA-N 1 1 332.452 0.609 50 0 ECAAMO Cc1nc(N)ncc1C(=O)N1CCC2(CC1)CN(C)CCC[N@@H+]2C ZINC000216138177 241168633 /nfs/dbraw/zinc/16/86/33/241168633.db2.gz OQDAXXBTWJCEPC-UHFFFAOYSA-N 1 1 332.452 0.609 50 0 ECAAMO Cc1nc(N)ncc1C(=O)N1CCC2(CC1)CN(C)CCC[N@H+]2C ZINC000216138177 241168637 /nfs/dbraw/zinc/16/86/37/241168637.db2.gz OQDAXXBTWJCEPC-UHFFFAOYSA-N 1 1 332.452 0.609 50 0 ECAAMO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000219162399 241367579 /nfs/dbraw/zinc/36/75/79/241367579.db2.gz OYRZWHNETJEJMD-CABCVRRESA-N 1 1 333.392 0.423 50 0 ECAAMO COc1cccc(S(=O)(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)c1 ZINC000067540541 202918411 /nfs/dbraw/zinc/91/84/11/202918411.db2.gz OSOFOWFZDGUSAJ-STQMWFEESA-N 1 1 325.434 0.362 50 0 ECAAMO COc1cccc(S(=O)(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)c1 ZINC000067540541 202918413 /nfs/dbraw/zinc/91/84/13/202918413.db2.gz OSOFOWFZDGUSAJ-STQMWFEESA-N 1 1 325.434 0.362 50 0 ECAAMO COc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c1 ZINC000067540541 202918417 /nfs/dbraw/zinc/91/84/17/202918417.db2.gz OSOFOWFZDGUSAJ-STQMWFEESA-N 1 1 325.434 0.362 50 0 ECAAMO COc1cccc(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)c1 ZINC000067540541 202918421 /nfs/dbraw/zinc/91/84/21/202918421.db2.gz OSOFOWFZDGUSAJ-STQMWFEESA-N 1 1 325.434 0.362 50 0 ECAAMO Cn1cc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cn1 ZINC000069655039 203032649 /nfs/dbraw/zinc/03/26/49/203032649.db2.gz YWWNEDFISUDSSA-KRWDZBQOSA-N 1 1 330.432 0.978 50 0 ECAAMO O=C(CCCn1cncn1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069738503 203042593 /nfs/dbraw/zinc/04/25/93/203042593.db2.gz HLGDCOCAIGAVSI-KRWDZBQOSA-N 1 1 343.431 0.936 50 0 ECAAMO COCCN(C)S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000069778319 203050643 /nfs/dbraw/zinc/05/06/43/203050643.db2.gz DWWLUIDIYVGDPA-UHFFFAOYSA-N 1 1 347.506 0.731 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000069951582 203065461 /nfs/dbraw/zinc/06/54/61/203065461.db2.gz MGLLLBZCUPZBOI-MRXNPFEDSA-N 1 1 348.447 0.447 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069966777 203066009 /nfs/dbraw/zinc/06/60/09/203066009.db2.gz QEPWCYHBUMNYQN-ZDUSSCGKSA-N 1 1 344.415 0.381 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)CC1 ZINC000069980880 203068942 /nfs/dbraw/zinc/06/89/42/203068942.db2.gz MUUCBFMSSJTFIB-ZIAGYGMSSA-N 1 1 338.477 0.885 50 0 ECAAMO O=S(=O)(CC[N@@H+]1CCC[C@H](OCCO)C1)Oc1ccccc1 ZINC000070018896 203069909 /nfs/dbraw/zinc/06/99/09/203069909.db2.gz SHQSHMOKVXBCKO-HNNXBMFYSA-N 1 1 329.418 0.869 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c(=O)[nH]1 ZINC000253536609 244012958 /nfs/dbraw/zinc/01/29/58/244012958.db2.gz YBWQHRZPABNVAH-GFCCVEGCSA-N 1 1 331.376 0.633 50 0 ECAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071415572 203094719 /nfs/dbraw/zinc/09/47/19/203094719.db2.gz UQPMHXYTHSYXLO-MRXNPFEDSA-N 1 1 346.475 0.867 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC1 ZINC000071881822 203135916 /nfs/dbraw/zinc/13/59/16/203135916.db2.gz VYQFFKBANWQUTC-QWHCGFSZSA-N 1 1 347.415 0.935 50 0 ECAAMO COCCNC(=O)c1ccc(NCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000071882461 203136027 /nfs/dbraw/zinc/13/60/27/203136027.db2.gz ADMVGIVFUJWGTP-KBPBESRZSA-N 1 1 336.436 0.979 50 0 ECAAMO CCCCOCC(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1cccnc1 ZINC000072131770 203165950 /nfs/dbraw/zinc/16/59/50/203165950.db2.gz ZQFBMQMAXFIXCR-HNNXBMFYSA-N 1 1 334.420 0.315 50 0 ECAAMO Cc1cncc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NCc2ccncc2)c1 ZINC000072130689 203166758 /nfs/dbraw/zinc/16/67/58/203166758.db2.gz RZXWWZBMWSLHAR-MRXNPFEDSA-N 1 1 339.399 0.515 50 0 ECAAMO O=C(Cn1cc2ccccc2n1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072143285 203168136 /nfs/dbraw/zinc/16/81/36/203168136.db2.gz UPFQJVXGUVDXQH-HNNXBMFYSA-N 1 1 327.388 0.115 50 0 ECAAMO CCc1nc(C)ccc1OCC(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072164880 203177787 /nfs/dbraw/zinc/17/77/87/203177787.db2.gz KLAACIGJYMACNE-HNNXBMFYSA-N 1 1 346.431 0.410 50 0 ECAAMO CC(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCC2)s1 ZINC000072437751 203224570 /nfs/dbraw/zinc/22/45/70/203224570.db2.gz BJJLYLWDDJTNJV-UHFFFAOYSA-N 1 1 333.439 0.261 50 0 ECAAMO CN1C[C@]2(CCCN(c3nc(N4CCC(O)CC4)cc[nH+]3)C2)OC1=O ZINC000072463064 203227832 /nfs/dbraw/zinc/22/78/32/203227832.db2.gz NIBJZVFEFSYMTE-KRWDZBQOSA-N 1 1 347.419 0.859 50 0 ECAAMO O=C(CCN1C(=O)CSc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000075572132 203318402 /nfs/dbraw/zinc/31/84/02/203318402.db2.gz FFPCZZPGVNAMSO-UHFFFAOYSA-N 1 1 349.456 0.652 50 0 ECAAMO NC(=O)C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077342948 203381606 /nfs/dbraw/zinc/38/16/06/203381606.db2.gz PFPAMHRYHSXUAZ-UHFFFAOYSA-N 1 1 333.388 0.838 50 0 ECAAMO CN1CCC[N@@H+](CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000107651646 204241518 /nfs/dbraw/zinc/24/15/18/204241518.db2.gz SYABFKKUIGFECR-INIZCTEOSA-N 1 1 339.480 0.547 50 0 ECAAMO C[N@@H+]1CCCN(CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000107651646 204241523 /nfs/dbraw/zinc/24/15/23/204241523.db2.gz SYABFKKUIGFECR-INIZCTEOSA-N 1 1 339.480 0.547 50 0 ECAAMO C[N@H+]1CCCN(CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000107651646 204241526 /nfs/dbraw/zinc/24/15/26/204241526.db2.gz SYABFKKUIGFECR-INIZCTEOSA-N 1 1 339.480 0.547 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000044316906 204298232 /nfs/dbraw/zinc/29/82/32/204298232.db2.gz AGJFDOXOLSCKIS-UHFFFAOYSA-N 1 1 344.209 0.982 50 0 ECAAMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC000046090971 204331714 /nfs/dbraw/zinc/33/17/14/204331714.db2.gz JFYBKQDWHNNCQI-QGZVFWFLSA-N 1 1 346.427 0.817 50 0 ECAAMO Cn1cc(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)c(=O)[nH]c1=O ZINC000299789238 258095608 /nfs/dbraw/zinc/09/56/08/258095608.db2.gz VAPHBUNVLWGTRO-GFCCVEGCSA-N 1 1 334.420 0.870 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+](CC(=O)N2CCOCC2)C2CC2)cc1 ZINC000025188412 258057673 /nfs/dbraw/zinc/05/76/73/258057673.db2.gz HXJBEGWRZJYNDN-UHFFFAOYSA-N 1 1 331.416 0.869 50 0 ECAAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)N2CCOCC2)C2CC2)cc1 ZINC000025188412 258057675 /nfs/dbraw/zinc/05/76/75/258057675.db2.gz HXJBEGWRZJYNDN-UHFFFAOYSA-N 1 1 331.416 0.869 50 0 ECAAMO O=C(CNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1)N1CCCC1 ZINC000299764904 258080023 /nfs/dbraw/zinc/08/00/23/258080023.db2.gz WCEUBXNMDKGZDG-GFCCVEGCSA-N 1 1 335.408 0.419 50 0 ECAAMO COc1ccccc1-n1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cn1 ZINC000193354781 274155960 /nfs/dbraw/zinc/15/59/60/274155960.db2.gz QOPBCDDFQUEEHQ-GFCCVEGCSA-N 1 1 336.417 0.863 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1 ZINC000016632644 274204749 /nfs/dbraw/zinc/20/47/49/274204749.db2.gz AMZOVSWDQPUKGN-JTQLQIEISA-N 1 1 348.378 0.509 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccc(F)cc1 ZINC000016632644 274204752 /nfs/dbraw/zinc/20/47/52/274204752.db2.gz AMZOVSWDQPUKGN-JTQLQIEISA-N 1 1 348.378 0.509 50 0 ECAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019913220 288587161 /nfs/dbraw/zinc/58/71/61/288587161.db2.gz POLGMRBVSGXXME-UHFFFAOYSA-N 1 1 339.461 0.789 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000069740583 435963166 /nfs/dbraw/zinc/96/31/66/435963166.db2.gz SJUAEIOLFBXSRM-HZPDHXFCSA-N 1 1 345.509 0.455 50 0 ECAAMO CCn1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225207 435975720 /nfs/dbraw/zinc/97/57/20/435975720.db2.gz JVPTYZAZKTYKAM-RYUDHWBXSA-N 1 1 333.436 0.932 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006083 435981908 /nfs/dbraw/zinc/98/19/08/435981908.db2.gz ZASFDKILGQZKCC-HNNXBMFYSA-N 1 1 345.447 0.952 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000071876922 436022673 /nfs/dbraw/zinc/02/26/73/436022673.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 1 1 343.512 0.234 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000071876922 436022678 /nfs/dbraw/zinc/02/26/78/436022678.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 1 1 343.512 0.234 50 0 ECAAMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269338 436038488 /nfs/dbraw/zinc/03/84/88/436038488.db2.gz IKXLZWXRJWKKTD-JONQDZQNSA-N 1 1 326.437 0.628 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CCNc1nc2nonc2nc1N1CCOCC1 ZINC000012054278 436047743 /nfs/dbraw/zinc/04/77/43/436047743.db2.gz CZDJNSMZJHVZMQ-LLVKDONJSA-N 1 1 333.396 0.746 50 0 ECAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)NCc3ccco3)cn2)CC1 ZINC000014202967 436070530 /nfs/dbraw/zinc/07/05/30/436070530.db2.gz UXPNQRRWPGSYGW-UHFFFAOYSA-N 1 1 336.417 0.905 50 0 ECAAMO C[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1N1CCOCC1 ZINC000027552208 436179276 /nfs/dbraw/zinc/17/92/76/436179276.db2.gz YYQSLWAQEVNIFV-UHFFFAOYSA-N 1 1 332.404 0.507 50 0 ECAAMO C[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1N1CCOCC1 ZINC000027552208 436179280 /nfs/dbraw/zinc/17/92/80/436179280.db2.gz YYQSLWAQEVNIFV-UHFFFAOYSA-N 1 1 332.404 0.507 50 0 ECAAMO O[C@]1(C[NH2+]CCc2nc(Cc3ccccc3)no2)CNCCOC1 ZINC000077323097 436233488 /nfs/dbraw/zinc/23/34/88/436233488.db2.gz JBLADPQITNWKPB-QGZVFWFLSA-N 1 1 332.404 0.143 50 0 ECAAMO COCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000076054931 436188285 /nfs/dbraw/zinc/18/82/85/436188285.db2.gz BHXMBFHEJUKECI-ZBFHGGJFSA-N 1 1 349.431 0.287 50 0 ECAAMO CCCCn1nnnc1CN1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055208 436189681 /nfs/dbraw/zinc/18/96/81/436189681.db2.gz RQVYEBXBPIIYFM-GDBMZVCRSA-N 1 1 349.483 0.458 50 0 ECAAMO C[C@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000076053502 436189855 /nfs/dbraw/zinc/18/98/55/436189855.db2.gz NWFSOUCIBMYFDE-GJZGRUSLSA-N 1 1 333.436 0.848 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000079111167 436292255 /nfs/dbraw/zinc/29/22/55/436292255.db2.gz RQMJZYAEYDRVTJ-PBHICJAKSA-N 1 1 346.431 0.614 50 0 ECAAMO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040512867 436266025 /nfs/dbraw/zinc/26/60/25/436266025.db2.gz YKRPKJQLFKQLRL-BFHYXJOUSA-N 1 1 347.419 0.110 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@H]2C)CC1 ZINC000078896161 436281762 /nfs/dbraw/zinc/28/17/62/436281762.db2.gz XGHKHOOJWCLGMF-YOEHRIQHSA-N 1 1 336.480 0.530 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H](c1ccccc1)n1cnnn1 ZINC000079495855 436299034 /nfs/dbraw/zinc/29/90/34/436299034.db2.gz RGGOSCCDDBLVTK-HNNXBMFYSA-N 1 1 330.392 0.101 50 0 ECAAMO CNC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000084597401 436382376 /nfs/dbraw/zinc/38/23/76/436382376.db2.gz SNVKYKZXALUPLE-GOSISDBHSA-N 1 1 344.415 0.951 50 0 ECAAMO CNC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000084597401 436382378 /nfs/dbraw/zinc/38/23/78/436382378.db2.gz SNVKYKZXALUPLE-GOSISDBHSA-N 1 1 344.415 0.951 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000046042676 436384831 /nfs/dbraw/zinc/38/48/31/436384831.db2.gz QMWZKBCRCWHNDS-CQSZACIVSA-N 1 1 325.434 0.269 50 0 ECAAMO COc1ccccc1OCC(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436648 436387213 /nfs/dbraw/zinc/38/72/13/436387213.db2.gz NFGNHXVDNVYFCJ-OAHLLOKOSA-N 1 1 334.416 0.989 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)n(C)c1 ZINC000046860793 436401765 /nfs/dbraw/zinc/40/17/65/436401765.db2.gz DCHCXJWCCFKMIM-GFCCVEGCSA-N 1 1 342.465 0.537 50 0 ECAAMO CCCc1nc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)cs1 ZINC000092036902 436467075 /nfs/dbraw/zinc/46/70/75/436467075.db2.gz SNRAYRKRGGYSDA-JSGCOSHPSA-N 1 1 338.477 0.840 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1CO ZINC000091426888 436450313 /nfs/dbraw/zinc/45/03/13/436450313.db2.gz DXVVDIVHIKYDRL-HZPDHXFCSA-N 1 1 331.416 0.773 50 0 ECAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1CO ZINC000091440073 436450669 /nfs/dbraw/zinc/45/06/69/436450669.db2.gz OZKXXVPOHRQSHW-CHWSQXEVSA-N 1 1 328.844 0.945 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)NCc2ccccc2F)C[C@@H]1CO ZINC000091645480 436456003 /nfs/dbraw/zinc/45/60/03/436456003.db2.gz IOMOOURQMJWBSG-HUUCEWRRSA-N 1 1 339.411 0.500 50 0 ECAAMO O=C(CCCc1cn[nH]c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091656651 436457764 /nfs/dbraw/zinc/45/77/64/436457764.db2.gz KADHXZMQDWNFSU-HZPDHXFCSA-N 1 1 336.436 0.132 50 0 ECAAMO CCN1C[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)CCC1=O ZINC000091706704 436458063 /nfs/dbraw/zinc/45/80/63/436458063.db2.gz DPCBGWPKILGYNC-MRXNPFEDSA-N 1 1 332.448 0.891 50 0 ECAAMO COc1nc(C)cc(C)c1CNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000091769344 436458534 /nfs/dbraw/zinc/45/85/34/436458534.db2.gz OAHQVGBCAFWSPO-UHFFFAOYSA-N 1 1 334.420 0.521 50 0 ECAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)c3ccon3)C2)CC1 ZINC000091770406 436459579 /nfs/dbraw/zinc/45/95/79/436459579.db2.gz MLFKDPQKXHJDOP-CABCVRRESA-N 1 1 336.436 0.383 50 0 ECAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccon3)C2)CC1 ZINC000091770406 436459583 /nfs/dbraw/zinc/45/95/83/436459583.db2.gz MLFKDPQKXHJDOP-CABCVRRESA-N 1 1 336.436 0.383 50 0 ECAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccon3)C2)CC1 ZINC000091770406 436459589 /nfs/dbraw/zinc/45/95/89/436459589.db2.gz MLFKDPQKXHJDOP-CABCVRRESA-N 1 1 336.436 0.383 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCc2ccccn2)C[C@]12CCNC(=O)CC2 ZINC000091943484 436465236 /nfs/dbraw/zinc/46/52/36/436465236.db2.gz SLLIOZAUOLEJRD-SFHVURJKSA-N 1 1 330.432 0.827 50 0 ECAAMO COCc1noc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000092002108 436465389 /nfs/dbraw/zinc/46/53/89/436465389.db2.gz ASIKNNOOHNJEKK-INIZCTEOSA-N 1 1 337.424 0.345 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000095372744 436492438 /nfs/dbraw/zinc/49/24/38/436492438.db2.gz JCCZRUMJXDVHSF-IAGOWNOFSA-N 1 1 347.459 0.703 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000095372744 436492444 /nfs/dbraw/zinc/49/24/44/436492444.db2.gz JCCZRUMJXDVHSF-IAGOWNOFSA-N 1 1 347.459 0.703 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)n1C ZINC000095402237 436493451 /nfs/dbraw/zinc/49/34/51/436493451.db2.gz HKZQBNXPQFADNA-INIZCTEOSA-N 1 1 342.447 0.929 50 0 ECAAMO Cn1c(N[C@H]2CC[N@H+](C3CCCC3)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000095403219 436493610 /nfs/dbraw/zinc/49/36/10/436493610.db2.gz YKADCNSDAJWOED-JTQLQIEISA-N 1 1 332.408 0.389 50 0 ECAAMO Cn1c(N[C@@H]2CC[N@H+](C3CCCC3)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000095403218 436494947 /nfs/dbraw/zinc/49/49/47/436494947.db2.gz YKADCNSDAJWOED-SNVBAGLBSA-N 1 1 332.408 0.389 50 0 ECAAMO C[N@H+]1CCN(c2cc(N)ncn2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095387198 436494981 /nfs/dbraw/zinc/49/49/81/436494981.db2.gz XXSCRKKBLRYCCR-SFHVURJKSA-N 1 1 344.463 0.972 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)nnn3C)[C@@H](C)C1 ZINC000095460250 436495040 /nfs/dbraw/zinc/49/50/40/436495040.db2.gz HYIXEINRBKGGPH-LBPRGKRZSA-N 1 1 345.403 0.678 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c(c2)nnn3C)[C@@H](C)C1 ZINC000095460250 436495042 /nfs/dbraw/zinc/49/50/42/436495042.db2.gz HYIXEINRBKGGPH-LBPRGKRZSA-N 1 1 345.403 0.678 50 0 ECAAMO CNC(=O)NC(=O)CN[C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000095462589 436496597 /nfs/dbraw/zinc/49/65/97/436496597.db2.gz YFKRKVPWHGEMOV-HNNXBMFYSA-N 1 1 336.436 0.741 50 0 ECAAMO O=C(CCN1CCOCC1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095506368 436497434 /nfs/dbraw/zinc/49/74/34/436497434.db2.gz JELZZPYZZVBGSX-SFHVURJKSA-N 1 1 347.459 0.414 50 0 ECAAMO C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC000096008990 436503919 /nfs/dbraw/zinc/50/39/19/436503919.db2.gz VCCJTPDLBIAGIS-ZNMIVQPWSA-N 1 1 333.498 0.451 50 0 ECAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099700 436512429 /nfs/dbraw/zinc/51/24/29/436512429.db2.gz DUUQTCRQKKQUAG-ZDUSSCGKSA-N 1 1 329.422 0.511 50 0 ECAAMO Cc1cc(C)n(CCC(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(=O)n1 ZINC000055227125 436569884 /nfs/dbraw/zinc/56/98/84/436569884.db2.gz UZAVLMZGDIUZSO-OAHLLOKOSA-N 1 1 336.436 0.213 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)[C@H](C)C1 ZINC000108162215 436615415 /nfs/dbraw/zinc/61/54/15/436615415.db2.gz AOLLGYKZLJMQSK-OLZOCXBDSA-N 1 1 339.436 0.387 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)[C@H](C)C1 ZINC000108162215 436615417 /nfs/dbraw/zinc/61/54/17/436615417.db2.gz AOLLGYKZLJMQSK-OLZOCXBDSA-N 1 1 339.436 0.387 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000065417371 436659949 /nfs/dbraw/zinc/65/99/49/436659949.db2.gz VGVHVZGCRZMMIJ-UHFFFAOYSA-N 1 1 345.447 0.966 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000195571529 436693925 /nfs/dbraw/zinc/69/39/25/436693925.db2.gz HKZUSBNVGQLJOA-KBPBESRZSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000195571529 436693928 /nfs/dbraw/zinc/69/39/28/436693928.db2.gz HKZUSBNVGQLJOA-KBPBESRZSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000195571529 436693935 /nfs/dbraw/zinc/69/39/35/436693935.db2.gz HKZUSBNVGQLJOA-KBPBESRZSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000195571529 436693938 /nfs/dbraw/zinc/69/39/38/436693938.db2.gz HKZUSBNVGQLJOA-KBPBESRZSA-N 1 1 326.485 0.956 50 0 ECAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000229305243 436714831 /nfs/dbraw/zinc/71/48/31/436714831.db2.gz IHCJGKWQSPCWKN-OIISXLGYSA-N 1 1 337.464 0.957 50 0 ECAAMO CNc1ncc(CN(C)c2nc(N3CCC[C@H](O)C3)cc[nH+]2)cn1 ZINC000065454147 436663627 /nfs/dbraw/zinc/66/36/27/436663627.db2.gz SOZODDSBNXGAEO-ZDUSSCGKSA-N 1 1 329.408 0.906 50 0 ECAAMO COc1c([C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c(C)nn1C ZINC000229517014 436715376 /nfs/dbraw/zinc/71/53/76/436715376.db2.gz OYZSFSAYAQCEMQ-GJZGRUSLSA-N 1 1 338.452 0.567 50 0 ECAAMO COc1ccc([C@@H](O)C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067674141 436720336 /nfs/dbraw/zinc/72/03/36/436720336.db2.gz SKCAVGOJZPEVQD-QGZVFWFLSA-N 1 1 347.459 0.967 50 0 ECAAMO COc1ccc([C@@H](O)C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)cc1 ZINC000067674141 436720337 /nfs/dbraw/zinc/72/03/37/436720337.db2.gz SKCAVGOJZPEVQD-QGZVFWFLSA-N 1 1 347.459 0.967 50 0 ECAAMO COc1ccc([C@@H](O)C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)cc1 ZINC000067674141 436720339 /nfs/dbraw/zinc/72/03/39/436720339.db2.gz SKCAVGOJZPEVQD-QGZVFWFLSA-N 1 1 347.459 0.967 50 0 ECAAMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000067691330 436721116 /nfs/dbraw/zinc/72/11/16/436721116.db2.gz AJEKFHAGSIEDFJ-VIFPVBQESA-N 1 1 339.779 0.492 50 0 ECAAMO Nc1nnnn1CC(=O)NC[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000067849923 436725837 /nfs/dbraw/zinc/72/58/37/436725837.db2.gz GHCQVHQIFDJNIC-CYBMUJFWSA-N 1 1 335.456 0.806 50 0 ECAAMO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)C(=O)N3CCOCC3)C2)oc1C ZINC000067974722 436729951 /nfs/dbraw/zinc/72/99/51/436729951.db2.gz SGXYLXWTSQQVIH-HNNXBMFYSA-N 1 1 349.431 0.693 50 0 ECAAMO CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453455 436745351 /nfs/dbraw/zinc/74/53/51/436745351.db2.gz UONRAYNSZOHLNR-UHFFFAOYSA-N 1 1 344.419 0.921 50 0 ECAAMO CCNC(=O)NC(=O)C[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453455 436745353 /nfs/dbraw/zinc/74/53/53/436745353.db2.gz UONRAYNSZOHLNR-UHFFFAOYSA-N 1 1 344.419 0.921 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229554851 436715602 /nfs/dbraw/zinc/71/56/02/436715602.db2.gz XCYPVBFOZPMOOP-ZWKOTPCHSA-N 1 1 345.447 0.472 50 0 ECAAMO CCc1nc([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n[nH]1 ZINC000229827315 436716557 /nfs/dbraw/zinc/71/65/57/436716557.db2.gz NKLXFNFIVXJFCG-TZMCWYRMSA-N 1 1 336.392 0.911 50 0 ECAAMO O=C(CC1OCCCO1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000249154887 436817713 /nfs/dbraw/zinc/81/77/13/436817713.db2.gz WJIOFEDOJGBBOV-HOTGVXAUSA-N 1 1 334.416 0.891 50 0 ECAAMO CC[N@@H+](CCNC(=O)CN(C)S(=O)(=O)c1ccccc1)C1CC1 ZINC000069415718 436771002 /nfs/dbraw/zinc/77/10/02/436771002.db2.gz HQNDAYGSWKFTBR-UHFFFAOYSA-N 1 1 339.461 0.908 50 0 ECAAMO C[C@](O)(C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397040 436841483 /nfs/dbraw/zinc/84/14/83/436841483.db2.gz TUTWBPRLMNMWNB-QWRGUYRKSA-N 1 1 330.372 0.800 50 0 ECAAMO C[C@](O)(C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397040 436841485 /nfs/dbraw/zinc/84/14/85/436841485.db2.gz TUTWBPRLMNMWNB-QWRGUYRKSA-N 1 1 330.372 0.800 50 0 ECAAMO Cc1ccc(CC(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257196413 436859331 /nfs/dbraw/zinc/85/93/31/436859331.db2.gz YEQWLBJVQTWWRO-SJORKVTESA-N 1 1 345.443 0.449 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)c2ccsc2)CC1 ZINC000257194697 436860432 /nfs/dbraw/zinc/86/04/32/436860432.db2.gz UNNMZKLNDVJAPI-KGLIPLIRSA-N 1 1 337.445 0.534 50 0 ECAAMO Cc1cc(=O)[nH]c([C@@H](C)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000192625059 437682854 /nfs/dbraw/zinc/68/28/54/437682854.db2.gz OLLCSKHMQYNUSG-KGLIPLIRSA-N 1 1 333.436 0.790 50 0 ECAAMO Cc1cnn([C@@H](C)C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1 ZINC000426370425 438053603 /nfs/dbraw/zinc/05/36/03/438053603.db2.gz ILDSJHXJNMWTBJ-AWEZNQCLSA-N 1 1 333.436 0.565 50 0 ECAAMO Cc1n[nH]c(C)c1CCNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426376287 438053895 /nfs/dbraw/zinc/05/38/95/438053895.db2.gz FOSYJHBOAZNNPC-ZDUSSCGKSA-N 1 1 346.435 0.223 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)NCCc3ccccc3)C[C@@H]2O)CC1 ZINC000426472624 438058615 /nfs/dbraw/zinc/05/86/15/438058615.db2.gz DTYBQOIGNKISNK-IRXDYDNUSA-N 1 1 332.448 0.231 50 0 ECAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000426628369 438067303 /nfs/dbraw/zinc/06/73/03/438067303.db2.gz ZFVOOTPFRLKZOD-HZPDHXFCSA-N 1 1 349.431 0.013 50 0 ECAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000426628369 438067311 /nfs/dbraw/zinc/06/73/11/438067311.db2.gz ZFVOOTPFRLKZOD-HZPDHXFCSA-N 1 1 349.431 0.013 50 0 ECAAMO Cc1c[nH]c(CN(C)c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)n1 ZINC000426622924 438068902 /nfs/dbraw/zinc/06/89/02/438068902.db2.gz KSIAMUCHYQQZRG-LBPRGKRZSA-N 1 1 332.408 1.053 50 0 ECAAMO CC1=C(S(=O)(=O)NCC2([NH+](C)C)CCCC2)CS(=O)(=O)C1 ZINC000534588359 439529173 /nfs/dbraw/zinc/52/91/73/439529173.db2.gz OPACHWGMQGIFKH-UHFFFAOYSA-N 1 1 336.479 0.483 50 0 ECAAMO CO[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000534676290 439534094 /nfs/dbraw/zinc/53/40/94/439534094.db2.gz WXXOFOCOYGYUHK-UWVGGRQHSA-N 1 1 328.419 0.299 50 0 ECAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1cccc2nsnc21 ZINC000534676290 439534097 /nfs/dbraw/zinc/53/40/97/439534097.db2.gz WXXOFOCOYGYUHK-UWVGGRQHSA-N 1 1 328.419 0.299 50 0 ECAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)CCn1ccc(=O)[nH]c1=O ZINC000584896153 439626649 /nfs/dbraw/zinc/62/66/49/439626649.db2.gz LMXWTUNGWULEMY-UHFFFAOYSA-N 1 1 342.399 0.943 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000084304104 545710330 /nfs/dbraw/zinc/71/03/30/545710330.db2.gz SDRKPQSABCLAMX-HNNXBMFYSA-N 1 1 346.479 0.725 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000084304104 545710334 /nfs/dbraw/zinc/71/03/34/545710334.db2.gz SDRKPQSABCLAMX-HNNXBMFYSA-N 1 1 346.479 0.725 50 0 ECAAMO C[C@]1([C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)NC(=O)NC1=O ZINC000084668185 545713383 /nfs/dbraw/zinc/71/33/83/545713383.db2.gz DPRAAYWAAVANGR-MEDUHNTESA-N 1 1 334.376 0.206 50 0 ECAAMO Cc1cc(C[N@@H+]2CCN(C(=O)C[NH2+]C3CC3)C[C@H](C(=O)[O-])C2)on1 ZINC000097334358 545729619 /nfs/dbraw/zinc/72/96/19/545729619.db2.gz KMOIDSBGJFRFPV-GFCCVEGCSA-N 1 1 336.392 0.080 50 0 ECAAMO Cc1cc(C[N@H+]2CCN(C(=O)C[NH2+]C3CC3)C[C@H](C(=O)[O-])C2)on1 ZINC000097334358 545729627 /nfs/dbraw/zinc/72/96/27/545729627.db2.gz KMOIDSBGJFRFPV-GFCCVEGCSA-N 1 1 336.392 0.080 50 0 ECAAMO CNc1cc[nH+]c(N2CCN(C(=O)Cc3ccccc3)C[C@@H](O)C2)n1 ZINC000097307188 545730129 /nfs/dbraw/zinc/73/01/29/545730129.db2.gz XWUSDXNCESWIBK-OAHLLOKOSA-N 1 1 341.415 0.771 50 0 ECAAMO CCNC(=O)c1ccc(C)c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000097377567 545731438 /nfs/dbraw/zinc/73/14/38/545731438.db2.gz SVOUMIOWBDRXMN-KRWDZBQOSA-N 1 1 334.420 0.933 50 0 ECAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000097474975 545731708 /nfs/dbraw/zinc/73/17/08/545731708.db2.gz QNZFWIQXEPONBC-QGZVFWFLSA-N 1 1 332.448 0.694 50 0 ECAAMO CN(Cc1ccccc1)S(=O)(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000670452388 548014411 /nfs/dbraw/zinc/01/44/11/548014411.db2.gz IBEOMFOEKKMNMH-INIZCTEOSA-N 1 1 341.477 0.657 50 0 ECAAMO Cc1ccc(NCCCNC(=O)CCn2ccc(=O)[nH]c2=O)[nH+]c1 ZINC000670467186 548017107 /nfs/dbraw/zinc/01/71/07/548017107.db2.gz CMKVERRQSZUIFQ-UHFFFAOYSA-N 1 1 331.376 0.661 50 0 ECAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccno1 ZINC000670473510 548019075 /nfs/dbraw/zinc/01/90/75/548019075.db2.gz QYMLXZLIYTUSOQ-LTCLLZNKSA-N 1 1 338.411 0.972 50 0 ECAAMO CN(Cc1ccccc1F)C(=O)[C@@]12C[N@@H+](CC(N)=O)C[C@@H]1COCC2 ZINC000685940518 549727196 /nfs/dbraw/zinc/72/71/96/549727196.db2.gz NGOZVRLCDXBEHW-KDOFPFPSSA-N 1 1 349.406 0.608 50 0 ECAAMO COc1ccc(/C=C/C(=O)NCC(F)(F)C[NH3+])cc1S(N)(=O)=O ZINC000888096665 586349455 /nfs/dbraw/zinc/34/94/55/586349455.db2.gz GZZAWHGRQXLYKM-HWKANZROSA-N 1 1 349.359 0.066 50 0 ECAAMO Cc1n[nH]nc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000193885705 612635255 /nfs/dbraw/zinc/63/52/55/612635255.db2.gz GEWZPHXFNSOBEF-UHFFFAOYSA-N 1 1 342.403 0.682 50 0 ECAAMO COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)CCC1CC[NH+](C)CC1 ZINC000020541274 740187470 /nfs/dbraw/zinc/18/74/70/740187470.db2.gz MRWJKNKPVXXFBO-HNNXBMFYSA-N 1 1 334.420 0.958 50 0 ECAAMO COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)CCC1CC[NH+](C)CC1 ZINC000020541276 740187568 /nfs/dbraw/zinc/18/75/68/740187568.db2.gz MRWJKNKPVXXFBO-OAHLLOKOSA-N 1 1 334.420 0.958 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CO)CN(S(C)(=O)=O)C[C@H]2C1 ZINC000675020153 741337707 /nfs/dbraw/zinc/33/77/07/741337707.db2.gz BTPOMQGKQQXGJJ-HIFRSBDPSA-N 1 1 343.449 0.367 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000019812085 202022334 /nfs/dbraw/zinc/02/23/34/202022334.db2.gz REPJZHFDDVIVET-UHFFFAOYSA-N 1 1 345.852 0.880 50 0 ECAAMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000020029396 202028755 /nfs/dbraw/zinc/02/87/55/202028755.db2.gz LKRQBMPAJNJRCX-AWEZNQCLSA-N 1 1 339.461 0.924 50 0 ECAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020568035 202048910 /nfs/dbraw/zinc/04/89/10/202048910.db2.gz DJHVNUCSOUDPEG-GFCCVEGCSA-N 1 1 343.424 0.754 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943695 202074449 /nfs/dbraw/zinc/07/44/49/202074449.db2.gz AJSOMUUJIYMRGG-CYBMUJFWSA-N 1 1 344.415 0.301 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187214018 236148140 /nfs/dbraw/zinc/14/81/40/236148140.db2.gz FHLIPGWLORIQON-ZDUSSCGKSA-N 1 1 337.468 0.989 50 0 ECAAMO Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000032333781 202224228 /nfs/dbraw/zinc/22/42/28/202224228.db2.gz JPPDNQKVSIWPBJ-UHFFFAOYSA-N 1 1 330.392 0.715 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CCCS(=O)(=O)NC)C2)o1 ZINC000076047769 202385162 /nfs/dbraw/zinc/38/51/62/202385162.db2.gz QJMQLMAVSJXNFS-ZDUSSCGKSA-N 1 1 344.481 0.682 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CCCS(=O)(=O)NC)C2)o1 ZINC000076047767 202385450 /nfs/dbraw/zinc/38/54/50/202385450.db2.gz QJMQLMAVSJXNFS-CYBMUJFWSA-N 1 1 344.481 0.682 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1nnc2ccccc2c1=O ZINC000040534278 202450323 /nfs/dbraw/zinc/45/03/23/202450323.db2.gz BOKVVTMTSOYRBI-CYBMUJFWSA-N 1 1 329.404 0.782 50 0 ECAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(=O)N1CCCCC1 ZINC000058428106 201143005 /nfs/dbraw/zinc/14/30/05/201143005.db2.gz AHBCCQKDEBSRQH-UHFFFAOYSA-N 1 1 335.452 0.667 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000215749975 241143771 /nfs/dbraw/zinc/14/37/71/241143771.db2.gz NZGSFOOOTOQHKT-HNNXBMFYSA-N 1 1 344.419 0.454 50 0 ECAAMO Cc1ccc2nc(CN3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cn2c1 ZINC000244872979 243092098 /nfs/dbraw/zinc/09/20/98/243092098.db2.gz WHXFVFZNHFUZKN-IRXDYDNUSA-N 1 1 330.432 0.910 50 0 ECAAMO COCCN1CCC[C@@](O)(C[NH+]2CC(Oc3ccccc3)C2)C1=O ZINC000067678063 202924048 /nfs/dbraw/zinc/92/40/48/202924048.db2.gz DMDRNECPYPCCQB-GOSISDBHSA-N 1 1 334.416 0.750 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658765 203034210 /nfs/dbraw/zinc/03/42/10/203034210.db2.gz XWCQHFWNFJLUBN-KGLIPLIRSA-N 1 1 335.452 0.828 50 0 ECAAMO Cc1nc2ccnn2c(C)c1CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000069844250 203056710 /nfs/dbraw/zinc/05/67/10/203056710.db2.gz ODWYKXFQASCOFP-CYBMUJFWSA-N 1 1 345.447 0.804 50 0 ECAAMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000069741401 203044985 /nfs/dbraw/zinc/04/49/85/203044985.db2.gz NRLXLIVFLBSAFS-HOCLYGCPSA-N 1 1 333.432 0.625 50 0 ECAAMO COCC[N@@H+](C)CCNC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000069896543 203060783 /nfs/dbraw/zinc/06/07/83/203060783.db2.gz GXRBIZHKAJUMML-UHFFFAOYSA-N 1 1 344.437 0.349 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000070016807 203070746 /nfs/dbraw/zinc/07/07/46/203070746.db2.gz MLZPFLZXKJXHMK-ZDUSSCGKSA-N 1 1 325.840 0.955 50 0 ECAAMO C[NH+]1CCN([C@@H]2CCN(c3cnc4ccccc4n3)C[C@H]2O)CC1 ZINC000071760258 203109713 /nfs/dbraw/zinc/10/97/13/203109713.db2.gz JTSCXQSLIJEPRP-IAGOWNOFSA-N 1 1 327.432 0.817 50 0 ECAAMO CN(CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)S(C)(=O)=O ZINC000071765228 203110120 /nfs/dbraw/zinc/11/01/20/203110120.db2.gz NHQPHIYKIGBGQY-UHFFFAOYSA-N 1 1 331.482 0.745 50 0 ECAAMO CC(=O)N[C@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1cccs1 ZINC000071871138 203133131 /nfs/dbraw/zinc/13/31/31/203133131.db2.gz ZHNVHXIDBZMNMN-GXTWGEPZSA-N 1 1 339.461 0.840 50 0 ECAAMO O=C1CNC(=O)N1CC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071871651 203133309 /nfs/dbraw/zinc/13/33/09/203133309.db2.gz XBUYFWPWXJEDLS-UHFFFAOYSA-N 1 1 348.407 0.007 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000071871102 203133606 /nfs/dbraw/zinc/13/36/06/203133606.db2.gz UJXAAHFMOIRRKK-AWEZNQCLSA-N 1 1 344.415 0.312 50 0 ECAAMO O=C(Cn1cc2ccccc2n1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072143283 203167672 /nfs/dbraw/zinc/16/76/72/203167672.db2.gz UPFQJVXGUVDXQH-OAHLLOKOSA-N 1 1 327.388 0.115 50 0 ECAAMO CN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072154915 203174306 /nfs/dbraw/zinc/17/43/06/203174306.db2.gz NZAPGSGPKILOIJ-MRXNPFEDSA-N 1 1 333.432 0.260 50 0 ECAAMO CN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072154915 203174311 /nfs/dbraw/zinc/17/43/11/203174311.db2.gz NZAPGSGPKILOIJ-MRXNPFEDSA-N 1 1 333.432 0.260 50 0 ECAAMO CN(CC(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1)Cc1ccccn1 ZINC000072169402 203180954 /nfs/dbraw/zinc/18/09/54/203180954.db2.gz ZFIBMEOALXJBPH-SFHVURJKSA-N 1 1 346.475 0.961 50 0 ECAAMO COCc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cn1 ZINC000072409088 203215662 /nfs/dbraw/zinc/21/56/62/203215662.db2.gz ILXFYPYALNJZHV-JKSUJKDBSA-N 1 1 347.463 0.785 50 0 ECAAMO CS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072429178 203222298 /nfs/dbraw/zinc/22/22/98/203222298.db2.gz GOGAHGHPLSHRTR-OAHLLOKOSA-N 1 1 339.461 0.359 50 0 ECAAMO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCO)CC3)C2=O)c(C)c1 ZINC000101274518 204003733 /nfs/dbraw/zinc/00/37/33/204003733.db2.gz QSKKTJBFJKSMHY-MRXNPFEDSA-N 1 1 331.416 0.545 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@H+](CC(=O)NCc3cccnc3)C2)n[nH]1 ZINC000095402698 218337457 /nfs/dbraw/zinc/33/74/57/218337457.db2.gz NHCMHUXUORPPLC-CYBMUJFWSA-N 1 1 342.403 0.399 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccnc3)C2)n[nH]1 ZINC000095402698 218337460 /nfs/dbraw/zinc/33/74/60/218337460.db2.gz NHCMHUXUORPPLC-CYBMUJFWSA-N 1 1 342.403 0.399 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCCC(=O)N3)C2=O)cc1 ZINC000113563243 207301631 /nfs/dbraw/zinc/30/16/31/207301631.db2.gz VECQTKGCLGWAIX-UONOGXRCSA-N 1 1 331.372 0.933 50 0 ECAAMO Cc1n[nH]cc1CN(C)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299760545 258077868 /nfs/dbraw/zinc/07/78/68/258077868.db2.gz WFDBQIKWUCSYRT-GFCCVEGCSA-N 1 1 344.419 0.829 50 0 ECAAMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3nc(N(C)C)no3)CC2)C1 ZINC000193956152 165061993 /nfs/dbraw/zinc/06/19/93/165061993.db2.gz DEFAWAMGCWCHBQ-CYBMUJFWSA-N 1 1 337.424 0.562 50 0 ECAAMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(c3nc(N(C)C)no3)CC2)C1 ZINC000193956152 165062000 /nfs/dbraw/zinc/06/20/00/165062000.db2.gz DEFAWAMGCWCHBQ-CYBMUJFWSA-N 1 1 337.424 0.562 50 0 ECAAMO CC(C)c1nnc2n1CCN(C(=O)[C@H]1[NH2+]CCc3nc[nH]c31)CC2 ZINC000072473308 275775561 /nfs/dbraw/zinc/77/55/61/275775561.db2.gz BAWSUGUWYATNNF-AWEZNQCLSA-N 1 1 329.408 0.396 50 0 ECAAMO C[NH+]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 ZINC000022768913 277090920 /nfs/dbraw/zinc/09/09/20/277090920.db2.gz VHPUQWNWPRMAMJ-GFCCVEGCSA-N 1 1 348.472 0.933 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000252485410 278023176 /nfs/dbraw/zinc/02/31/76/278023176.db2.gz GUEICVHHFRWLTJ-NTZNESFSSA-N 1 1 335.370 0.991 50 0 ECAAMO CC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095438370 278092056 /nfs/dbraw/zinc/09/20/56/278092056.db2.gz CSEQONISGUVYND-IAGOWNOFSA-N 1 1 338.496 0.918 50 0 ECAAMO Cc1nc[nH]c1CN1CCOC[C@@H]1CC(=O)N1CCC[N@H+](C)CC1 ZINC000072410354 279147252 /nfs/dbraw/zinc/14/72/52/279147252.db2.gz JATIVCJKPVEYSP-HNNXBMFYSA-N 1 1 335.452 0.473 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000072238003 279346018 /nfs/dbraw/zinc/34/60/18/279346018.db2.gz MFDDTHCIGLSXGT-DLBZAZTESA-N 1 1 331.416 0.749 50 0 ECAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069697895 435959276 /nfs/dbraw/zinc/95/92/76/435959276.db2.gz ZQLRFWBHQKQAAZ-JKSUJKDBSA-N 1 1 347.463 0.831 50 0 ECAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069697895 435959280 /nfs/dbraw/zinc/95/92/80/435959280.db2.gz ZQLRFWBHQKQAAZ-JKSUJKDBSA-N 1 1 347.463 0.831 50 0 ECAAMO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000006602127 435999877 /nfs/dbraw/zinc/99/98/77/435999877.db2.gz ZBTQZCYEDQRVQB-UHFFFAOYSA-N 1 1 333.388 0.999 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000071864636 436019128 /nfs/dbraw/zinc/01/91/28/436019128.db2.gz NPTUHYSNTHKNOR-ZIAGYGMSSA-N 1 1 348.426 0.997 50 0 ECAAMO Cc1nnc(CN2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)n1C ZINC000071877064 436024987 /nfs/dbraw/zinc/02/49/87/436024987.db2.gz CKQOOHDGVZSDLA-OAHLLOKOSA-N 1 1 349.435 0.412 50 0 ECAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCNC(=O)C1 ZINC000008707885 436031275 /nfs/dbraw/zinc/03/12/75/436031275.db2.gz LBVYEKKFFXVKJB-HNNXBMFYSA-N 1 1 330.432 0.151 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2CC)c(=O)n(C)c1=O ZINC000008708857 436031706 /nfs/dbraw/zinc/03/17/06/436031706.db2.gz OYNYZNSQFTYRJM-LBPRGKRZSA-N 1 1 336.436 0.986 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2CC)c(=O)n(C)c1=O ZINC000008708857 436031708 /nfs/dbraw/zinc/03/17/08/436031708.db2.gz OYNYZNSQFTYRJM-LBPRGKRZSA-N 1 1 336.436 0.986 50 0 ECAAMO C[NH+](C)CCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059572 436033134 /nfs/dbraw/zinc/03/31/34/436033134.db2.gz XLWLFSSYHFRZCH-LBPRGKRZSA-N 1 1 331.424 0.637 50 0 ECAAMO c1ccc(OCC[NH+]2CCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000014068255 436068221 /nfs/dbraw/zinc/06/82/21/436068221.db2.gz TWLVFXKYOAEQKB-UHFFFAOYSA-N 1 1 325.376 0.720 50 0 ECAAMO CC[C@@H](C)NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678743 436082687 /nfs/dbraw/zinc/08/26/87/436082687.db2.gz JEPQICVRDMQOHQ-CYBMUJFWSA-N 1 1 345.451 0.723 50 0 ECAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H]3COCCO3)CC2)c1 ZINC000025015903 436142320 /nfs/dbraw/zinc/14/23/20/436142320.db2.gz UXONLNKSVPUCMY-QGZVFWFLSA-N 1 1 333.432 0.649 50 0 ECAAMO CCCn1nc2c(cc1=O)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000076064604 436191769 /nfs/dbraw/zinc/19/17/69/436191769.db2.gz HVDNIJULBFFIKK-UHFFFAOYSA-N 1 1 347.419 0.342 50 0 ECAAMO CCCn1nc2c(cc1=O)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000076064604 436191775 /nfs/dbraw/zinc/19/17/75/436191775.db2.gz HVDNIJULBFFIKK-UHFFFAOYSA-N 1 1 347.419 0.342 50 0 ECAAMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000029673069 436205171 /nfs/dbraw/zinc/20/51/71/436205171.db2.gz MLIMLRKFSFQPJZ-UHFFFAOYSA-N 1 1 336.411 0.908 50 0 ECAAMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1=O ZINC000032941370 436247192 /nfs/dbraw/zinc/24/71/92/436247192.db2.gz VEQLUVSOIISZEV-OAHLLOKOSA-N 1 1 342.399 0.062 50 0 ECAAMO Cn1c(=O)ccn(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1=O ZINC000032941370 436247198 /nfs/dbraw/zinc/24/71/98/436247198.db2.gz VEQLUVSOIISZEV-OAHLLOKOSA-N 1 1 342.399 0.062 50 0 ECAAMO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000033304642 436254128 /nfs/dbraw/zinc/25/41/28/436254128.db2.gz JWPQWGURVNTHBJ-UHFFFAOYSA-N 1 1 339.461 0.843 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1O ZINC000040268826 436261731 /nfs/dbraw/zinc/26/17/31/436261731.db2.gz WWNVOHWZZBYAMX-UHFFFAOYSA-N 1 1 341.795 0.823 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c(=O)[nH]c1=O ZINC000040489805 436264808 /nfs/dbraw/zinc/26/48/08/436264808.db2.gz ZKQNDWMGMMVAMV-CYBMUJFWSA-N 1 1 342.399 0.941 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(=O)[nH]c1=O ZINC000040489805 436264813 /nfs/dbraw/zinc/26/48/13/436264813.db2.gz ZKQNDWMGMMVAMV-CYBMUJFWSA-N 1 1 342.399 0.941 50 0 ECAAMO CC[C@@](C)(CNC(=O)c1cccc(-n2cnnn2)c1)[NH+]1CCOCC1 ZINC000040539002 436267408 /nfs/dbraw/zinc/26/74/08/436267408.db2.gz UDMHGQLKRSMNAY-KRWDZBQOSA-N 1 1 344.419 0.893 50 0 ECAAMO COCC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000078875846 436281072 /nfs/dbraw/zinc/28/10/72/436281072.db2.gz IWJOOMDAEZWJRX-MRXNPFEDSA-N 1 1 331.416 0.578 50 0 ECAAMO COCC(=O)N1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000078875846 436281075 /nfs/dbraw/zinc/28/10/75/436281075.db2.gz IWJOOMDAEZWJRX-MRXNPFEDSA-N 1 1 331.416 0.578 50 0 ECAAMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000043303263 436329623 /nfs/dbraw/zinc/32/96/23/436329623.db2.gz YKLHXVSSHZVPNG-UWVGGRQHSA-N 1 1 348.378 0.727 50 0 ECAAMO CC[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735839 436384205 /nfs/dbraw/zinc/38/42/05/436384205.db2.gz FSNNFYWXLOCPTL-CVEARBPZSA-N 1 1 333.432 0.808 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2Cl)CC1 ZINC000085436918 436390582 /nfs/dbraw/zinc/39/05/82/436390582.db2.gz ITXULGZDLJBSQV-CYBMUJFWSA-N 1 1 325.840 0.955 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000089300493 436408335 /nfs/dbraw/zinc/40/83/35/436408335.db2.gz UBRUOXWHEQWTTQ-AWEZNQCLSA-N 1 1 343.497 0.547 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000089300493 436408337 /nfs/dbraw/zinc/40/83/37/436408337.db2.gz UBRUOXWHEQWTTQ-AWEZNQCLSA-N 1 1 343.497 0.547 50 0 ECAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H](C(N)=O)C1)CC2 ZINC000048034342 436439210 /nfs/dbraw/zinc/43/92/10/436439210.db2.gz ISOMRNQKVMFCEE-CYBMUJFWSA-N 1 1 347.415 0.396 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000048232237 436444612 /nfs/dbraw/zinc/44/46/12/436444612.db2.gz NPZGVXHNGYHAGP-CYBMUJFWSA-N 1 1 341.415 0.782 50 0 ECAAMO CN(C)c1cc(N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)ncn1 ZINC000091351085 436448850 /nfs/dbraw/zinc/44/88/50/436448850.db2.gz PSDUMICSELEMSQ-CABCVRRESA-N 1 1 335.452 0.310 50 0 ECAAMO COc1ccc(COC[C@@H](O)C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048344009 436451565 /nfs/dbraw/zinc/45/15/65/436451565.db2.gz POXVJIKMUMBKIA-CABCVRRESA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048344009 436451567 /nfs/dbraw/zinc/45/15/67/436451567.db2.gz POXVJIKMUMBKIA-CABCVRRESA-N 1 1 343.445 0.692 50 0 ECAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000091548044 436453296 /nfs/dbraw/zinc/45/32/96/436453296.db2.gz XERRTJUEOGKHQR-HNNXBMFYSA-N 1 1 335.452 0.139 50 0 ECAAMO CC(C)([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000092020153 436464386 /nfs/dbraw/zinc/46/43/86/436464386.db2.gz VCUUNYQTXXIOKX-UHFFFAOYSA-N 1 1 347.463 0.921 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2CO)CC1 ZINC000092004032 436465074 /nfs/dbraw/zinc/46/50/74/436465074.db2.gz UGDWXBDPAKJBCH-HZPDHXFCSA-N 1 1 338.496 0.816 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2CO)CC1 ZINC000092004032 436465079 /nfs/dbraw/zinc/46/50/79/436465079.db2.gz UGDWXBDPAKJBCH-HZPDHXFCSA-N 1 1 338.496 0.816 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2CO)CC1 ZINC000092004032 436465082 /nfs/dbraw/zinc/46/50/82/436465082.db2.gz UGDWXBDPAKJBCH-HZPDHXFCSA-N 1 1 338.496 0.816 50 0 ECAAMO CNC(=O)C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091907294 436465198 /nfs/dbraw/zinc/46/51/98/436465198.db2.gz YMSNVLTYYRTNTG-UHFFFAOYSA-N 1 1 343.435 0.783 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000089938673 436422207 /nfs/dbraw/zinc/42/22/07/436422207.db2.gz WVEKKTSSZJPKJE-GFCCVEGCSA-N 1 1 330.388 0.515 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000089938673 436422209 /nfs/dbraw/zinc/42/22/09/436422209.db2.gz WVEKKTSSZJPKJE-GFCCVEGCSA-N 1 1 330.388 0.515 50 0 ECAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](C[C@H](O)CO)CC2 ZINC000092038401 436466891 /nfs/dbraw/zinc/46/68/91/436466891.db2.gz NQQWDMYFIABQQQ-AWEZNQCLSA-N 1 1 348.447 0.239 50 0 ECAAMO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186180 436486210 /nfs/dbraw/zinc/48/62/10/436486210.db2.gz JJKDTNRVPBDESV-ZFWWWQNUSA-N 1 1 325.453 0.895 50 0 ECAAMO CN(C)c1cncc(N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)n1 ZINC000095508813 436498177 /nfs/dbraw/zinc/49/81/77/436498177.db2.gz JWKXFIXTBYBJQW-GFCCVEGCSA-N 1 1 329.408 0.608 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CCc3ccccn3)C[C@@H]2CO)CC1 ZINC000095531369 436499060 /nfs/dbraw/zinc/49/90/60/436499060.db2.gz ZZFAQPNBFYINOR-IAGOWNOFSA-N 1 1 346.475 0.329 50 0 ECAAMO O=C(NCc1cccnc1-n1cncn1)N1CC[NH+](C2CC2)CC1 ZINC000095948548 436500488 /nfs/dbraw/zinc/50/04/88/436500488.db2.gz KJYLLQULCDYJMO-UHFFFAOYSA-N 1 1 327.392 0.652 50 0 ECAAMO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CCC(=O)OC(C)C ZINC000096007155 436503703 /nfs/dbraw/zinc/50/37/03/436503703.db2.gz UWGHERQEDPTLIP-ZDUSSCGKSA-N 1 1 329.441 0.810 50 0 ECAAMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000096424722 436531195 /nfs/dbraw/zinc/53/11/95/436531195.db2.gz QQAYDHIXLDYJGA-RDJZCZTQSA-N 1 1 332.448 0.744 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2noc(-c3ccco3)n2)C1 ZINC000097610051 436544350 /nfs/dbraw/zinc/54/43/50/436544350.db2.gz YXDPUGLOQSAPTK-JTQLQIEISA-N 1 1 333.348 0.143 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1-c1nn[nH]n1 ZINC000097679947 436544727 /nfs/dbraw/zinc/54/47/27/436544727.db2.gz CZIQTIGRCKXDAY-GFCCVEGCSA-N 1 1 330.392 0.443 50 0 ECAAMO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000100629682 436547610 /nfs/dbraw/zinc/54/76/10/436547610.db2.gz TWBZFYINNUSHFW-CYBMUJFWSA-N 1 1 333.388 0.583 50 0 ECAAMO O=C(CCC(=O)NC1CCCC1)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000055393062 436576732 /nfs/dbraw/zinc/57/67/32/436576732.db2.gz ZTTGOPVTJQALDE-CQSZACIVSA-N 1 1 325.453 0.646 50 0 ECAAMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000106165354 436590669 /nfs/dbraw/zinc/59/06/69/436590669.db2.gz IZRQCGIFUHXIIG-VXGBXAGGSA-N 1 1 342.440 0.213 50 0 ECAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000110610278 436628048 /nfs/dbraw/zinc/62/80/48/436628048.db2.gz NGGUVZKSGLNVGD-NSHDSACASA-N 1 1 346.353 0.998 50 0 ECAAMO O=C(CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC000106905412 436605975 /nfs/dbraw/zinc/60/59/75/436605975.db2.gz MJYYLNYARHSQBL-GJZGRUSLSA-N 1 1 338.452 0.598 50 0 ECAAMO CCCCn1nnnc1CN1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000107058113 436608577 /nfs/dbraw/zinc/60/85/77/436608577.db2.gz RQVYEBXBPIIYFM-ZBFHGGJFSA-N 1 1 349.483 0.458 50 0 ECAAMO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC000108390147 436618015 /nfs/dbraw/zinc/61/80/15/436618015.db2.gz VCCJTPDLBIAGIS-RBSFLKMASA-N 1 1 333.498 0.451 50 0 ECAAMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C3CC3)CC2)cc1OC ZINC000058209961 436621113 /nfs/dbraw/zinc/62/11/13/436621113.db2.gz JBFVUJHHLDYDGS-UHFFFAOYSA-N 1 1 347.415 0.740 50 0 ECAAMO CC(C)[C@@H](CNC(=O)NCc1nnc2ccccn21)[NH+]1CCOCC1 ZINC000061332143 436636857 /nfs/dbraw/zinc/63/68/57/436636857.db2.gz JNDZHIPJOYPSTI-CQSZACIVSA-N 1 1 346.435 0.885 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccccn43)C2)CC1 ZINC000065312188 436654682 /nfs/dbraw/zinc/65/46/82/436654682.db2.gz LZCWVLRVTIDOPU-AWEZNQCLSA-N 1 1 328.420 0.720 50 0 ECAAMO CNc1cc[nH+]c(NCC2CCN(c3cnn(C)c(=O)c3)CC2)n1 ZINC000065403281 436658456 /nfs/dbraw/zinc/65/84/56/436658456.db2.gz PKOQTDYPRVFZJM-UHFFFAOYSA-N 1 1 329.408 0.941 50 0 ECAAMO Cc1nnc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)s1 ZINC000221210223 436701373 /nfs/dbraw/zinc/70/13/73/436701373.db2.gz RVSPZLKGEOWGHE-LLVKDONJSA-N 1 1 325.438 0.104 50 0 ECAAMO Cc1nnc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)s1 ZINC000221210223 436701374 /nfs/dbraw/zinc/70/13/74/436701374.db2.gz RVSPZLKGEOWGHE-LLVKDONJSA-N 1 1 325.438 0.104 50 0 ECAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N(C)Cc1csc(C)n1 ZINC000221381553 436701608 /nfs/dbraw/zinc/70/16/08/436701608.db2.gz ZNPIGNJFYJGHET-CYBMUJFWSA-N 1 1 340.449 0.199 50 0 ECAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1csc(C)n1 ZINC000221381553 436701611 /nfs/dbraw/zinc/70/16/11/436701611.db2.gz ZNPIGNJFYJGHET-CYBMUJFWSA-N 1 1 340.449 0.199 50 0 ECAAMO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@H]2CO)CCCN1Cc1ccc(F)cc1F ZINC000225548930 436712335 /nfs/dbraw/zinc/71/23/35/436712335.db2.gz YSWNJXUVGRFLFN-SQWLQELKSA-N 1 1 340.370 0.883 50 0 ECAAMO CN1CCN(c2cc(CNC(=O)N3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000065444327 436660633 /nfs/dbraw/zinc/66/06/33/436660633.db2.gz XNHPWRVLHVFDHA-UHFFFAOYSA-N 1 1 346.479 0.681 50 0 ECAAMO CN1CCN(c2cc(CNC(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000065444327 436660635 /nfs/dbraw/zinc/66/06/35/436660635.db2.gz XNHPWRVLHVFDHA-UHFFFAOYSA-N 1 1 346.479 0.681 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000229551035 436714148 /nfs/dbraw/zinc/71/41/48/436714148.db2.gz WVKOWKMVSALZLI-GOEBONIOSA-N 1 1 348.451 0.069 50 0 ECAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000067691329 436721132 /nfs/dbraw/zinc/72/11/32/436721132.db2.gz AJEKFHAGSIEDFJ-SECBINFHSA-N 1 1 339.779 0.492 50 0 ECAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1 ZINC000067756719 436722841 /nfs/dbraw/zinc/72/28/41/436722841.db2.gz BPFNXQSXBHNSIP-AWEZNQCLSA-N 1 1 342.399 0.624 50 0 ECAAMO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[N@H+]1CCCNC(=O)C1 ZINC000067934277 436728649 /nfs/dbraw/zinc/72/86/49/436728649.db2.gz SMDWFXDJFULTCF-LJQANCHMSA-N 1 1 345.443 0.405 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]2C)CC1 ZINC000229828823 436716026 /nfs/dbraw/zinc/71/60/26/436716026.db2.gz CMVKBNDQXVJWKZ-XJKSGUPXSA-N 1 1 347.467 0.383 50 0 ECAAMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067541628 436716449 /nfs/dbraw/zinc/71/64/49/436716449.db2.gz KHEPOZZQXUUZRG-CYBMUJFWSA-N 1 1 332.383 0.841 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000248831279 436810337 /nfs/dbraw/zinc/81/03/37/436810337.db2.gz HKSSDGQWZYHQRF-OLZOCXBDSA-N 1 1 342.465 0.889 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@H+](C[C@H](O)COC[C@H]3CCCO3)CCO2)c1 ZINC000247161717 436789420 /nfs/dbraw/zinc/78/94/20/436789420.db2.gz MJHZULBFVYSWDQ-BBWFWOEESA-N 1 1 339.436 0.449 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CCO2)c1 ZINC000247161717 436789422 /nfs/dbraw/zinc/78/94/22/436789422.db2.gz MJHZULBFVYSWDQ-BBWFWOEESA-N 1 1 339.436 0.449 50 0 ECAAMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000252672526 436839060 /nfs/dbraw/zinc/83/90/60/436839060.db2.gz QENCPWLJPNJTEK-HIFRSBDPSA-N 1 1 339.436 0.977 50 0 ECAAMO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000252672526 436839064 /nfs/dbraw/zinc/83/90/64/436839064.db2.gz QENCPWLJPNJTEK-HIFRSBDPSA-N 1 1 339.436 0.977 50 0 ECAAMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)n1 ZINC000257191762 436858416 /nfs/dbraw/zinc/85/84/16/436858416.db2.gz PZEPLYMXXYSGPN-GOEBONIOSA-N 1 1 336.436 0.088 50 0 ECAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CO)c1cnccn1 ZINC000257192885 436860551 /nfs/dbraw/zinc/86/05/51/436860551.db2.gz RCAUTNMDMMEDCZ-XJKSGUPXSA-N 1 1 330.363 0.838 50 0 ECAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CO)c1cnccn1 ZINC000257192885 436860556 /nfs/dbraw/zinc/86/05/56/436860556.db2.gz RCAUTNMDMMEDCZ-XJKSGUPXSA-N 1 1 330.363 0.838 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccccc3)C[C@H]2C)CC1 ZINC000257366380 436877954 /nfs/dbraw/zinc/87/79/54/436877954.db2.gz VMOAYEMXAJVRJE-ZTFGCOKTSA-N 1 1 344.459 0.697 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC1 ZINC000329185724 437331351 /nfs/dbraw/zinc/33/13/51/437331351.db2.gz QGYMLNWEFCCUEW-UHFFFAOYSA-N 1 1 336.436 0.912 50 0 ECAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[NH2+][C@H](C)C3)cc21 ZINC000187156089 437493541 /nfs/dbraw/zinc/49/35/41/437493541.db2.gz QTINONXDIIQEFS-GFCCVEGCSA-N 1 1 337.445 0.968 50 0 ECAAMO CCS(=O)(=O)CCN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279458 437541305 /nfs/dbraw/zinc/54/13/05/437541305.db2.gz UWFXMSCPMISXOH-KRWDZBQOSA-N 1 1 340.489 0.990 50 0 ECAAMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192660495 437685825 /nfs/dbraw/zinc/68/58/25/437685825.db2.gz OKLNHDXPNQUROG-IPJQOSJUSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192660495 437685829 /nfs/dbraw/zinc/68/58/29/437685829.db2.gz OKLNHDXPNQUROG-IPJQOSJUSA-N 1 1 336.436 0.553 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000192941056 437697612 /nfs/dbraw/zinc/69/76/12/437697612.db2.gz SSRCJSRUCFXYTB-OAHLLOKOSA-N 1 1 349.460 0.958 50 0 ECAAMO CN(C)c1nc(N)nc(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000426500028 438063455 /nfs/dbraw/zinc/06/34/55/438063455.db2.gz BWGLXHGPGFVLGE-VXGBXAGGSA-N 1 1 333.440 0.401 50 0 ECAAMO Cc1noc(CN(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000426536577 438066195 /nfs/dbraw/zinc/06/61/95/438066195.db2.gz XKUJAKRTSVDBRG-GFCCVEGCSA-N 1 1 338.412 0.107 50 0 ECAAMO CCC(C)(C)[C@@H](O)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000585121710 439632873 /nfs/dbraw/zinc/63/28/73/439632873.db2.gz XCAWZABGZHBWJJ-KBPBESRZSA-N 1 1 325.453 0.724 50 0 ECAAMO O=S(=O)(N1CCCC1)N1CC[NH+](CCCn2cccn2)CC1 ZINC000244852903 527202852 /nfs/dbraw/zinc/20/28/52/527202852.db2.gz VBJLIZINRWZWLX-UHFFFAOYSA-N 1 1 327.454 0.231 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1 ZINC000020415877 545657487 /nfs/dbraw/zinc/65/74/87/545657487.db2.gz CBAHDYBUKAQOBI-UHFFFAOYSA-N 1 1 333.480 0.906 50 0 ECAAMO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000097499618 545731892 /nfs/dbraw/zinc/73/18/92/545731892.db2.gz HCVNWIYBHAYNKI-AWEZNQCLSA-N 1 1 349.406 0.875 50 0 ECAAMO NC(=O)Cc1cccc(NC(=O)NCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000097551337 545733236 /nfs/dbraw/zinc/73/32/36/545733236.db2.gz PTDUUDPUAIHYHQ-AWEZNQCLSA-N 1 1 334.420 0.540 50 0 ECAAMO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000218811835 545921034 /nfs/dbraw/zinc/92/10/34/545921034.db2.gz NKGQUABTLWCLDR-VUKOWNLVSA-N 1 1 341.411 0.835 50 0 ECAAMO CO[C@H](C)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000585083454 586779277 /nfs/dbraw/zinc/77/92/77/586779277.db2.gz JFWUAECZXKLAOH-CYBMUJFWSA-N 1 1 347.415 0.708 50 0 ECAAMO Cn1ncc(N2CCC[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1=O ZINC000169763182 609745337 /nfs/dbraw/zinc/74/53/37/609745337.db2.gz ANDMDCXIKALGMJ-AWEZNQCLSA-N 1 1 333.436 0.161 50 0 ECAAMO CCCNC(=O)N1Cc2c(n(C)nc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000675008652 741322219 /nfs/dbraw/zinc/32/22/19/741322219.db2.gz HGLBWQNPBCYHEP-UHFFFAOYSA-N 1 1 348.451 0.633 50 0 ECAAMO CC(C)C[N@H+]1CCC[C@H](c2nnc3n2CCN(S(C)(=O)=O)C3)C1 ZINC000675011523 741332199 /nfs/dbraw/zinc/33/21/99/741332199.db2.gz UYWAPLWXSJROCR-ZDUSSCGKSA-N 1 1 341.481 0.889 50 0 ECAAMO COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)N(C)C(=O)N3C)cc1 ZINC000575544142 749383234 /nfs/dbraw/zinc/38/32/34/749383234.db2.gz UVXPQEADCQEZPN-QGZVFWFLSA-N 1 1 331.372 0.942 50 0 ECAAMO CCOCC[N@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@@H](CO)C1 ZINC000097696243 219048641 /nfs/dbraw/zinc/04/86/41/219048641.db2.gz XBNAICFFBPJFJQ-OAHLLOKOSA-N 1 1 349.479 0.996 50 0 ECAAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000071876680 282266317 /nfs/dbraw/zinc/26/63/17/282266317.db2.gz LQHYUECAZLJLPY-CQSZACIVSA-N 1 1 331.420 0.771 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000040523106 213334068 /nfs/dbraw/zinc/33/40/68/213334068.db2.gz RQDGEPNXHCVCIV-UHFFFAOYSA-N 1 1 344.463 0.968 50 0 ECAAMO C(CNc1nc2nonc2nc1N1CCCC1)C[NH+]1CCOCC1 ZINC000023129237 202099662 /nfs/dbraw/zinc/09/96/62/202099662.db2.gz PLEATGKEXFLROH-UHFFFAOYSA-N 1 1 333.396 0.747 50 0 ECAAMO C[C@H](NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccco1 ZINC000024677265 202119415 /nfs/dbraw/zinc/11/94/15/202119415.db2.gz QPKGIMPDSTZRAL-AWEZNQCLSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@H](NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccco1 ZINC000024677265 202119418 /nfs/dbraw/zinc/11/94/18/202119418.db2.gz QPKGIMPDSTZRAL-AWEZNQCLSA-N 1 1 336.436 0.553 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+](Cc2ccccc2)C2CC2)c(=O)n(C)c1=O ZINC000025120659 202127483 /nfs/dbraw/zinc/12/74/83/202127483.db2.gz WMLZNIFRFCHQLO-UHFFFAOYSA-N 1 1 342.399 0.514 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)c(=O)n(C)c1=O ZINC000025120659 202127486 /nfs/dbraw/zinc/12/74/86/202127486.db2.gz WMLZNIFRFCHQLO-UHFFFAOYSA-N 1 1 342.399 0.514 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCNC(=O)C1 ZINC000029826620 202191189 /nfs/dbraw/zinc/19/11/89/202191189.db2.gz ZKKASBZIZUFKCZ-ZDUSSCGKSA-N 1 1 342.399 0.966 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCNC(=O)C1 ZINC000029826620 202191192 /nfs/dbraw/zinc/19/11/92/202191192.db2.gz ZKKASBZIZUFKCZ-ZDUSSCGKSA-N 1 1 342.399 0.966 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cncn1)N1CC(=O)Nc2ccccc21 ZINC000069511608 202284775 /nfs/dbraw/zinc/28/47/75/202284775.db2.gz XUJWYTDHZGMWOA-CYBMUJFWSA-N 1 1 340.387 0.728 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)N1CC(=O)Nc2ccccc21 ZINC000069511608 202284779 /nfs/dbraw/zinc/28/47/79/202284779.db2.gz XUJWYTDHZGMWOA-CYBMUJFWSA-N 1 1 340.387 0.728 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000072234613 202356567 /nfs/dbraw/zinc/35/65/67/202356567.db2.gz OPRPICFSZXXFBB-GFCCVEGCSA-N 1 1 347.419 0.939 50 0 ECAAMO Cn1c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc(=O)n(C)c1=O ZINC000072299965 202363062 /nfs/dbraw/zinc/36/30/62/202363062.db2.gz CCRWKPDANXTSME-LBPRGKRZSA-N 1 1 345.403 0.724 50 0 ECAAMO Cn1c(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc(=O)n(C)c1=O ZINC000072299965 202363066 /nfs/dbraw/zinc/36/30/66/202363066.db2.gz CCRWKPDANXTSME-LBPRGKRZSA-N 1 1 345.403 0.724 50 0 ECAAMO O=C([C@H]1CSCCC(=O)N1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000075171087 202377727 /nfs/dbraw/zinc/37/77/27/202377727.db2.gz DJALWGDWGCMFIX-OAHLLOKOSA-N 1 1 333.457 0.953 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)[C@H]1C ZINC000225228639 201034487 /nfs/dbraw/zinc/03/44/87/201034487.db2.gz UJWTYPQIZQEWFF-QPSCCSFWSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)[C@H]1C ZINC000225228639 201034490 /nfs/dbraw/zinc/03/44/90/201034490.db2.gz UJWTYPQIZQEWFF-QPSCCSFWSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@H](c3nccs3)C2)C[C@H](C)O1 ZINC000097200156 201382267 /nfs/dbraw/zinc/38/22/67/201382267.db2.gz OVRZPOGWHKAMRL-BARDWOONSA-N 1 1 341.477 0.987 50 0 ECAAMO CNc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244601895 243045107 /nfs/dbraw/zinc/04/51/07/243045107.db2.gz DTVRTFGVQSHQFR-HZPDHXFCSA-N 1 1 341.415 0.884 50 0 ECAAMO CNc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244601895 243045111 /nfs/dbraw/zinc/04/51/11/243045111.db2.gz DTVRTFGVQSHQFR-HZPDHXFCSA-N 1 1 341.415 0.884 50 0 ECAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069584233 203022806 /nfs/dbraw/zinc/02/28/06/203022806.db2.gz XEBYIXSLVKKXRJ-HUUCEWRRSA-N 1 1 342.399 0.433 50 0 ECAAMO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000069627055 203029087 /nfs/dbraw/zinc/02/90/87/203029087.db2.gz YKITZDANIIJNHJ-HNNXBMFYSA-N 1 1 346.431 0.643 50 0 ECAAMO C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCN1Cc1nccn1C ZINC000069487807 203007335 /nfs/dbraw/zinc/00/73/35/203007335.db2.gz LDNKFVMKDLXVSW-CQSZACIVSA-N 1 1 343.497 0.208 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CCN1Cc1nccn1C ZINC000069487807 203007339 /nfs/dbraw/zinc/00/73/39/203007339.db2.gz LDNKFVMKDLXVSW-CQSZACIVSA-N 1 1 343.497 0.208 50 0 ECAAMO CCn1ccnc1CN1CC[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1C ZINC000069489450 203009293 /nfs/dbraw/zinc/00/92/93/203009293.db2.gz ICTYDDKPZFCCER-HOTGVXAUSA-N 1 1 332.452 0.667 50 0 ECAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069844595 203056274 /nfs/dbraw/zinc/05/62/74/203056274.db2.gz DOKUPECKXMMGOH-GJZGRUSLSA-N 1 1 328.453 0.876 50 0 ECAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)Nc1nncs1 ZINC000069739812 203043025 /nfs/dbraw/zinc/04/30/25/203043025.db2.gz RWGWNCBRSWZTKM-AWEZNQCLSA-N 1 1 347.444 0.828 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069895739 203061548 /nfs/dbraw/zinc/06/15/48/203061548.db2.gz QPSNLZQHZWYEQJ-GJZGRUSLSA-N 1 1 349.431 0.543 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000069919793 203064040 /nfs/dbraw/zinc/06/40/40/203064040.db2.gz WBHWJUMHZNKORQ-KRWDZBQOSA-N 1 1 348.443 0.706 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000069968223 203066014 /nfs/dbraw/zinc/06/60/14/203066014.db2.gz VJMQVMVOFWPMKP-CQSZACIVSA-N 1 1 329.404 0.465 50 0 ECAAMO O=C(C1CC1)N1CCc2c(ncnc2NCCC[NH+]2CCOCC2)C1 ZINC000071736399 203105647 /nfs/dbraw/zinc/10/56/47/203105647.db2.gz IHELTLIJQLROHP-UHFFFAOYSA-N 1 1 345.447 0.906 50 0 ECAAMO O=C(CN1C(=O)CNC1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000071846612 203127071 /nfs/dbraw/zinc/12/70/71/203127071.db2.gz CYFIORXCIAFRPS-UHFFFAOYSA-N 1 1 336.417 0.334 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1C ZINC000071864245 203131946 /nfs/dbraw/zinc/13/19/46/203131946.db2.gz FQSBITNOBKOSRG-LSDHHAIUSA-N 1 1 337.439 0.871 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000071881943 203135729 /nfs/dbraw/zinc/13/57/29/203135729.db2.gz RQSCTPNZWNJUAH-CQSZACIVSA-N 1 1 336.388 0.571 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000071881800 203136106 /nfs/dbraw/zinc/13/61/06/203136106.db2.gz MJZLMRTVFFHWDU-MRXNPFEDSA-N 1 1 344.419 0.120 50 0 ECAAMO Cc1nc2c(cnn2C)c(N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)n1 ZINC000072143042 203167812 /nfs/dbraw/zinc/16/78/12/203167812.db2.gz WFMHEDMQVZEEJP-CQSZACIVSA-N 1 1 330.436 0.955 50 0 ECAAMO C[NH+]1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 ZINC000072145051 203169441 /nfs/dbraw/zinc/16/94/41/203169441.db2.gz FVFYHBUJUSHIIT-INIZCTEOSA-N 1 1 348.422 0.290 50 0 ECAAMO CN(C(=O)Cn1nnnc1N)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072145863 203170315 /nfs/dbraw/zinc/17/03/15/203170315.db2.gz DAHNWTBPEBDCOF-OAHLLOKOSA-N 1 1 343.435 0.421 50 0 ECAAMO COc1cccc(SCC(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)c1 ZINC000072154980 203175137 /nfs/dbraw/zinc/17/51/37/203175137.db2.gz DJRLSSHPBCUDJJ-OAHLLOKOSA-N 1 1 349.456 0.866 50 0 ECAAMO O=C([C@H]1C[NH2+]CCN1C(=O)C1(Cn2cccn2)CC1)N1CCCC1 ZINC000072163813 203177869 /nfs/dbraw/zinc/17/78/69/203177869.db2.gz QYAOZKXJQQKQJX-CQSZACIVSA-N 1 1 331.420 0.086 50 0 ECAAMO CNc1nc(Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)cs1 ZINC000072165399 203180187 /nfs/dbraw/zinc/18/01/87/203180187.db2.gz DCJPYTUTYLIYQD-UHFFFAOYSA-N 1 1 334.449 0.932 50 0 ECAAMO O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072453526 203227395 /nfs/dbraw/zinc/22/73/95/203227395.db2.gz FFPWHYWDZYKLET-CYBMUJFWSA-N 1 1 341.400 0.826 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072426197 203221468 /nfs/dbraw/zinc/22/14/68/203221468.db2.gz QJOWFZRBGQANJJ-KRWDZBQOSA-N 1 1 335.423 0.927 50 0 ECAAMO O=C(Cc1csc(-c2cccnc2)n1)N1CC[NH+](CCO)CC1 ZINC000075572131 203318271 /nfs/dbraw/zinc/31/82/71/203318271.db2.gz QQXYKTAOCUYMTM-UHFFFAOYSA-N 1 1 332.429 0.884 50 0 ECAAMO O[C@@]1(C[NH2+]CCc2nccc(-c3ccccc3)n2)CNCCOC1 ZINC000077299680 203378774 /nfs/dbraw/zinc/37/87/74/203378774.db2.gz VNCIFZBJJPLSBS-SFHVURJKSA-N 1 1 328.416 0.627 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100932 204185679 /nfs/dbraw/zinc/18/56/79/204185679.db2.gz IAOQKJVCYIAACI-MCIONIFRSA-N 1 1 336.440 0.685 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100932 204185682 /nfs/dbraw/zinc/18/56/82/204185682.db2.gz IAOQKJVCYIAACI-MCIONIFRSA-N 1 1 336.440 0.685 50 0 ECAAMO CNC(=O)c1cccnc1N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107406437 204237217 /nfs/dbraw/zinc/23/72/17/204237217.db2.gz KYMPVXZMQHEIKS-QGZVFWFLSA-N 1 1 331.420 0.232 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000091425918 218004052 /nfs/dbraw/zinc/00/40/52/218004052.db2.gz DIYOOJIINATQRA-HOTGVXAUSA-N 1 1 344.415 0.540 50 0 ECAAMO CN(C)C(=O)CSc1nc(N2CCc3n[nH]cc3C2)cc(N)[nH+]1 ZINC000091872712 218082139 /nfs/dbraw/zinc/08/21/39/218082139.db2.gz HMWWSLGZQIMEGT-UHFFFAOYSA-N 1 1 333.421 0.525 50 0 ECAAMO Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000299771521 258083914 /nfs/dbraw/zinc/08/39/14/258083914.db2.gz QEERONPBAZLJGY-HNNXBMFYSA-N 1 1 347.463 0.708 50 0 ECAAMO Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000299771521 258083916 /nfs/dbraw/zinc/08/39/16/258083916.db2.gz QEERONPBAZLJGY-HNNXBMFYSA-N 1 1 347.463 0.708 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299779873 258088740 /nfs/dbraw/zinc/08/87/40/258088740.db2.gz RYWVDKFTHRPMGL-JKSUJKDBSA-N 1 1 327.388 0.984 50 0 ECAAMO Cc1ccc(C(=O)NCCC(=O)NCC[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000299762297 258079322 /nfs/dbraw/zinc/07/93/22/258079322.db2.gz SZVYNTRSTSYUAN-INIZCTEOSA-N 1 1 347.459 0.935 50 0 ECAAMO Cn1ncc2c1ncnc2N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000052161210 132183052 /nfs/dbraw/zinc/18/30/52/132183052.db2.gz JPJLKRDRGXOCAK-UHFFFAOYSA-N 1 1 343.435 0.354 50 0 ECAAMO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000237081183 286693550 /nfs/dbraw/zinc/69/35/50/286693550.db2.gz GAWAAALEBXXVMK-NSHDSACASA-N 1 1 332.447 0.463 50 0 ECAAMO CC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C[C@@H](C)O ZINC000247154702 287210201 /nfs/dbraw/zinc/21/02/01/287210201.db2.gz LVOCNAWHSVOKAN-YRGRVCCFSA-N 1 1 326.441 0.140 50 0 ECAAMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069657107 279199694 /nfs/dbraw/zinc/19/96/94/279199694.db2.gz ZEDMDILBIDKNGH-AEFFLSMTSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@@H](C)O1 ZINC000058283587 288188006 /nfs/dbraw/zinc/18/80/06/288188006.db2.gz UFUGTQFKZNJTPU-MCIONIFRSA-N 1 1 336.436 0.695 50 0 ECAAMO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000002150822 435965280 /nfs/dbraw/zinc/96/52/80/435965280.db2.gz BPSWLWCASKMLQS-OLZOCXBDSA-N 1 1 335.404 0.258 50 0 ECAAMO C[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000002636910 435967035 /nfs/dbraw/zinc/96/70/35/435967035.db2.gz DFPAWFRIDCJLIG-ZDUSSCGKSA-N 1 1 339.461 0.725 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCCN(C(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069951866 435980295 /nfs/dbraw/zinc/98/02/95/435980295.db2.gz XEXIPXZFUHISOR-ZNMIVQPWSA-N 1 1 340.468 0.733 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCCN(C(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069951866 435980301 /nfs/dbraw/zinc/98/03/01/435980301.db2.gz XEXIPXZFUHISOR-ZNMIVQPWSA-N 1 1 340.468 0.733 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000000020229 435949450 /nfs/dbraw/zinc/94/94/50/435949450.db2.gz BGRJTUBHPOOWDU-LLVKDONJSA-N 1 1 341.433 0.557 50 0 world ECAAMO O=C(CN1CCC[C@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662274 435957400 /nfs/dbraw/zinc/95/74/00/435957400.db2.gz COACQWWJGJQCHU-HNNXBMFYSA-N 1 1 346.479 0.733 50 0 ECAAMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000071876142 436021079 /nfs/dbraw/zinc/02/10/79/436021079.db2.gz DJOMPVOBXGRKGV-JKSUJKDBSA-N 1 1 334.468 0.685 50 0 ECAAMO CC1(C)C[N@H+](C2(CNC(=O)Cn3cnnn3)CCCCC2)CCO1 ZINC000071888882 436023986 /nfs/dbraw/zinc/02/39/86/436023986.db2.gz SZFCAAPKFLMFFY-UHFFFAOYSA-N 1 1 336.440 0.603 50 0 ECAAMO Cc1nnc(CN2CC[NH+](C[C@H](O)COCc3ccco3)CC2)n1C ZINC000071877063 436024183 /nfs/dbraw/zinc/02/41/83/436024183.db2.gz CKQOOHDGVZSDLA-HNNXBMFYSA-N 1 1 349.435 0.412 50 0 ECAAMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000071897059 436028762 /nfs/dbraw/zinc/02/87/62/436028762.db2.gz AAVIXPQCJBCDSB-QWHCGFSZSA-N 1 1 339.436 0.374 50 0 ECAAMO c1cc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn2nnnc12 ZINC000008981261 436035364 /nfs/dbraw/zinc/03/53/64/436035364.db2.gz CQGWLLQHPJAKKM-UHFFFAOYSA-N 1 1 337.387 0.776 50 0 ECAAMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(C)(=O)=O ZINC000010324436 436039380 /nfs/dbraw/zinc/03/93/80/436039380.db2.gz OBMHFCOJKZRUFE-GFCCVEGCSA-N 1 1 337.445 0.785 50 0 ECAAMO O=C1CCCN1CCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000072279605 436040080 /nfs/dbraw/zinc/04/00/80/436040080.db2.gz JHOOOMOCZVWFOK-UHFFFAOYSA-N 1 1 329.408 0.259 50 0 ECAAMO COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011955876 436047220 /nfs/dbraw/zinc/04/72/20/436047220.db2.gz MXTHATJREPJWTJ-CYBMUJFWSA-N 1 1 325.409 0.189 50 0 ECAAMO Cn1ncc2c1ncnc2NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000024204585 436131846 /nfs/dbraw/zinc/13/18/46/436131846.db2.gz HAMKESHSILXPBB-TZMCWYRMSA-N 1 1 332.408 0.513 50 0 ECAAMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000075092124 436149021 /nfs/dbraw/zinc/14/90/21/436149021.db2.gz QENCPWLJPNJTEK-UKRRQHHQSA-N 1 1 339.436 0.977 50 0 ECAAMO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000075092124 436149024 /nfs/dbraw/zinc/14/90/24/436149024.db2.gz QENCPWLJPNJTEK-UKRRQHHQSA-N 1 1 339.436 0.977 50 0 ECAAMO CCCn1nnnc1CN1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055172 436189675 /nfs/dbraw/zinc/18/96/75/436189675.db2.gz RLUCYJSOEPIVQC-UKRRQHHQSA-N 1 1 335.456 0.068 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccco1 ZINC000041976237 436289477 /nfs/dbraw/zinc/28/94/77/436289477.db2.gz QVCBYCMECFFMEN-NEPJUHHUSA-N 1 1 329.422 0.423 50 0 ECAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000033040232 436249659 /nfs/dbraw/zinc/24/96/59/436249659.db2.gz BDRNHVCSBVATTG-CQSZACIVSA-N 1 1 332.404 0.771 50 0 ECAAMO CC(C)[N@@H+](C)CCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040514203 436267583 /nfs/dbraw/zinc/26/75/83/436267583.db2.gz CPIMQMXEVVOTAG-UHFFFAOYSA-N 1 1 347.419 0.092 50 0 ECAAMO Cc1csc(=O)n1CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000044894941 436350444 /nfs/dbraw/zinc/35/04/44/436350444.db2.gz KKHWUFLAIGYBEK-AWEZNQCLSA-N 1 1 339.461 0.789 50 0 ECAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000044911445 436351969 /nfs/dbraw/zinc/35/19/69/436351969.db2.gz KJWUIFACXXMIOV-GJZGRUSLSA-N 1 1 348.399 0.882 50 0 ECAAMO CCCn1nc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1=O ZINC000042577930 436309508 /nfs/dbraw/zinc/30/95/08/436309508.db2.gz RYSKSGJUEJWHTO-MRXNPFEDSA-N 1 1 349.479 0.655 50 0 ECAAMO CCn1cc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000043645401 436334209 /nfs/dbraw/zinc/33/42/09/436334209.db2.gz VAGUONLJWLZTPS-ZFWWWQNUSA-N 1 1 337.424 0.762 50 0 ECAAMO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000084630702 436381641 /nfs/dbraw/zinc/38/16/41/436381641.db2.gz QNTRKWAQEUPSAV-CYBMUJFWSA-N 1 1 349.435 0.856 50 0 ECAAMO CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000084630702 436381645 /nfs/dbraw/zinc/38/16/45/436381645.db2.gz QNTRKWAQEUPSAV-CYBMUJFWSA-N 1 1 349.435 0.856 50 0 ECAAMO CC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735840 436384425 /nfs/dbraw/zinc/38/44/25/436384425.db2.gz FSNNFYWXLOCPTL-HOTGVXAUSA-N 1 1 333.432 0.808 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046140896 436387080 /nfs/dbraw/zinc/38/70/80/436387080.db2.gz IMTRZPSOVTUJAQ-UHFFFAOYSA-N 1 1 343.424 0.523 50 0 ECAAMO COCCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000085436950 436389911 /nfs/dbraw/zinc/38/99/11/436389911.db2.gz VQWLHOGMIGJJBN-CYBMUJFWSA-N 1 1 327.450 0.162 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089300481 436408343 /nfs/dbraw/zinc/40/83/43/436408343.db2.gz LGAKRHVQENBEHS-CVEARBPZSA-N 1 1 347.467 0.370 50 0 ECAAMO CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nncn1C)[NH+]1CCOCC1 ZINC000044967760 436356840 /nfs/dbraw/zinc/35/68/40/436356840.db2.gz ZFIKIKPMFFPOLT-UONOGXRCSA-N 1 1 338.456 0.922 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000048251878 436446302 /nfs/dbraw/zinc/44/63/02/436446302.db2.gz ZWFATJKLCIYZPG-UHFFFAOYSA-N 1 1 348.447 0.713 50 0 ECAAMO NC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000091468654 436450297 /nfs/dbraw/zinc/45/02/97/436450297.db2.gz UEKIKSAFCBVIFH-OAHLLOKOSA-N 1 1 333.436 0.423 50 0 ECAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(O)c1)C2 ZINC000091644325 436457242 /nfs/dbraw/zinc/45/72/42/436457242.db2.gz SONSOIAZHBGWCO-LSDHHAIUSA-N 1 1 331.416 0.903 50 0 ECAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(O)c1)C2 ZINC000091644325 436457245 /nfs/dbraw/zinc/45/72/45/436457245.db2.gz SONSOIAZHBGWCO-LSDHHAIUSA-N 1 1 331.416 0.903 50 0 ECAAMO Cc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)nc(C)n1 ZINC000091780132 436461107 /nfs/dbraw/zinc/46/11/07/436461107.db2.gz ZHEKUVIYLMJSFQ-CVEARBPZSA-N 1 1 348.447 0.496 50 0 ECAAMO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000091906419 436462665 /nfs/dbraw/zinc/46/26/65/436462665.db2.gz GFELQHZNNAHVGX-HZPDHXFCSA-N 1 1 333.432 0.657 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000089840204 436418259 /nfs/dbraw/zinc/41/82/59/436418259.db2.gz BFFSNDRUFDLMTL-AWEZNQCLSA-N 1 1 333.432 0.950 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000089939020 436421321 /nfs/dbraw/zinc/42/13/21/436421321.db2.gz YOQAWJUGWPIRRV-ZDUSSCGKSA-N 1 1 335.404 0.546 50 0 ECAAMO CCC[N@@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1C(=O)N(CC)CC ZINC000096140447 436516043 /nfs/dbraw/zinc/51/60/43/436516043.db2.gz IQTIGXRQUJYMKU-ZFWWWQNUSA-N 1 1 333.436 0.928 50 0 ECAAMO CCC[N@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1C(=O)N(CC)CC ZINC000096140447 436516048 /nfs/dbraw/zinc/51/60/48/436516048.db2.gz IQTIGXRQUJYMKU-ZFWWWQNUSA-N 1 1 333.436 0.928 50 0 ECAAMO NC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000052962283 436520491 /nfs/dbraw/zinc/52/04/91/436520491.db2.gz GGOIMBAZTFIBBZ-AWEZNQCLSA-N 1 1 327.388 0.677 50 0 ECAAMO NC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000052962283 436520496 /nfs/dbraw/zinc/52/04/96/436520496.db2.gz GGOIMBAZTFIBBZ-AWEZNQCLSA-N 1 1 327.388 0.677 50 0 ECAAMO Cc1noc(C)c1CN1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000051204680 436485964 /nfs/dbraw/zinc/48/59/64/436485964.db2.gz YBDRYTAXPUZGLI-OAHLLOKOSA-N 1 1 336.436 0.392 50 0 ECAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)o1 ZINC000095355397 436492545 /nfs/dbraw/zinc/49/25/45/436492545.db2.gz AJPPMXVOARAFNA-QWHCGFSZSA-N 1 1 335.404 0.913 50 0 ECAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)o1 ZINC000095355397 436492547 /nfs/dbraw/zinc/49/25/47/436492547.db2.gz AJPPMXVOARAFNA-QWHCGFSZSA-N 1 1 335.404 0.913 50 0 ECAAMO Cc1nnnn1-c1cc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)ccc1C ZINC000095395866 436494013 /nfs/dbraw/zinc/49/40/13/436494013.db2.gz PSCBEUJLAARKLO-CYBMUJFWSA-N 1 1 343.435 0.854 50 0 ECAAMO C[C@@H]1C[NH+](CC2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)C[C@@H](C)O1 ZINC000097097173 436538642 /nfs/dbraw/zinc/53/86/42/436538642.db2.gz JPIZDPGNJGSEER-VXGBXAGGSA-N 1 1 346.435 0.972 50 0 ECAAMO O=C(c1nc2ccccc2[nH]1)N1CC[N@H+](C2CCOCC2)C[C@H](O)C1 ZINC000097730225 436543515 /nfs/dbraw/zinc/54/35/15/436543515.db2.gz RJCJGCDGEGPTHV-AWEZNQCLSA-N 1 1 344.415 0.861 50 0 ECAAMO OCCC[N@H+]1CCN(Cc2nccn2Cc2ccccc2)C[C@@H](O)C1 ZINC000097743456 436544384 /nfs/dbraw/zinc/54/43/84/436544384.db2.gz ZMPVDWWVEUCXAD-SFHVURJKSA-N 1 1 344.459 0.792 50 0 ECAAMO Cc1cc(C)n(CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(=O)n1 ZINC000055037192 436565576 /nfs/dbraw/zinc/56/55/76/436565576.db2.gz JLQCYJRRSBVYTE-MRXNPFEDSA-N 1 1 348.447 0.573 50 0 ECAAMO CCOc1ccc(Cl)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000055164398 436566671 /nfs/dbraw/zinc/56/66/71/436566671.db2.gz CKUCQURSJCBCLO-UHFFFAOYSA-N 1 1 340.811 0.813 50 0 ECAAMO CCc1nnc(CN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)C(C)C)o1 ZINC000055252872 436571445 /nfs/dbraw/zinc/57/14/45/436571445.db2.gz FLRGAWUYKNCHHG-GFCCVEGCSA-N 1 1 337.424 0.566 50 0 ECAAMO CCc1nnc(CN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C(C)C)o1 ZINC000055252872 436571450 /nfs/dbraw/zinc/57/14/50/436571450.db2.gz FLRGAWUYKNCHHG-GFCCVEGCSA-N 1 1 337.424 0.566 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000106666322 436599833 /nfs/dbraw/zinc/59/98/33/436599833.db2.gz XMHZFIFYPFBAMF-SJORKVTESA-N 1 1 337.468 0.443 50 0 ECAAMO CC(=O)[C@H](NC(=O)CN1CCC([N@H+]2CCO[C@H](C)C2)CC1)C(C)C ZINC000106793917 436601914 /nfs/dbraw/zinc/60/19/14/436601914.db2.gz FQQMGFVPLNUTPL-RDTXWAMCSA-N 1 1 339.480 0.901 50 0 ECAAMO NC(=O)CN1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057153071 436605557 /nfs/dbraw/zinc/60/55/57/436605557.db2.gz DASQSIBMFQJDNS-QGZVFWFLSA-N 1 1 344.459 0.717 50 0 ECAAMO CCOC(=O)C1=C(C[N@H+](CCO)C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC000063957660 436647409 /nfs/dbraw/zinc/64/74/09/436647409.db2.gz UEDGDXSPWSVQEF-HNNXBMFYSA-N 1 1 349.387 0.907 50 0 ECAAMO CCOC(=O)C1=C(C[N@@H+](CCO)C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC000063957660 436647410 /nfs/dbraw/zinc/64/74/10/436647410.db2.gz UEDGDXSPWSVQEF-HNNXBMFYSA-N 1 1 349.387 0.907 50 0 ECAAMO C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C1CCOCC1)C2 ZINC000065396014 436657666 /nfs/dbraw/zinc/65/76/66/436657666.db2.gz RQMDIUHUGMBYFF-UHFFFAOYSA-N 1 1 335.452 0.559 50 0 ECAAMO CC(=O)[C@@H](NC(=O)CN1CCC([N@H+]2CCO[C@H](C)C2)CC1)C(C)C ZINC000066562452 436689380 /nfs/dbraw/zinc/68/93/80/436689380.db2.gz FQQMGFVPLNUTPL-KDOFPFPSSA-N 1 1 339.480 0.901 50 0 ECAAMO C[C@H]1C[N@H+](C2CCN(CC(=O)Nc3nncs3)CC2)CCO1 ZINC000066561790 436689479 /nfs/dbraw/zinc/68/94/79/436689479.db2.gz RYXKAKBJFPWNTM-NSHDSACASA-N 1 1 325.438 0.662 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC(C)(C)O1 ZINC000065500015 436664368 /nfs/dbraw/zinc/66/43/68/436664368.db2.gz KSWMRVGMZVSMLW-GFCCVEGCSA-N 1 1 349.435 0.323 50 0 ECAAMO COc1ccccc1-n1cc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)cn1 ZINC000065507581 436664586 /nfs/dbraw/zinc/66/45/86/436664586.db2.gz YZWDSWLHJXXCHJ-KGLIPLIRSA-N 1 1 330.388 0.676 50 0 ECAAMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(CN2CCCC2)o1 ZINC000067696983 436720050 /nfs/dbraw/zinc/72/00/50/436720050.db2.gz GOYOVFQNGJGXGF-HIFRSBDPSA-N 1 1 348.447 0.942 50 0 ECAAMO Nc1nc(N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)cc[nH+]1 ZINC000067674858 436720738 /nfs/dbraw/zinc/72/07/38/436720738.db2.gz RDNIBLTUMJTVOC-UHFFFAOYSA-N 1 1 343.391 0.138 50 0 ECAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2ccc3nonc3c2)C1=O ZINC000067805557 436724234 /nfs/dbraw/zinc/72/42/34/436724234.db2.gz SVMGCLGRHJCCSA-QGZVFWFLSA-N 1 1 348.403 0.655 50 0 ECAAMO O=C(CN1CC(=O)NC1=O)NC[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000067893978 436728214 /nfs/dbraw/zinc/72/82/14/436728214.db2.gz DPKNWFILCDPOIB-ZDUSSCGKSA-N 1 1 336.436 0.699 50 0 ECAAMO CNC(=O)C[N@@H+](C)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067955409 436728931 /nfs/dbraw/zinc/72/89/31/436728931.db2.gz WAMDOWCTELBVRL-GOSISDBHSA-N 1 1 339.480 0.988 50 0 ECAAMO O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252448867 436831064 /nfs/dbraw/zinc/83/10/64/436831064.db2.gz GPDOHJSEEADGFS-HOTGVXAUSA-N 1 1 326.404 0.764 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)[C@@H](CO)NC(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000252500595 436836697 /nfs/dbraw/zinc/83/66/97/436836697.db2.gz SYQWHEDSNUIDJC-XNRPHZJLSA-N 1 1 331.416 0.519 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCCC3)C[C@@H]2C)CC1 ZINC000257366394 436876819 /nfs/dbraw/zinc/87/68/19/436876819.db2.gz WGWCRHNEZICUNN-ZMSDIMECSA-N 1 1 336.480 0.482 50 0 ECAAMO Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000170595490 436945875 /nfs/dbraw/zinc/94/58/75/436945875.db2.gz PMQOWAAKWWXSBI-APWZRJJASA-N 1 1 347.459 0.932 50 0 ECAAMO C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H](C)N1CCO ZINC000333797309 437286903 /nfs/dbraw/zinc/28/69/03/437286903.db2.gz ZAUNQMZNBHPCTB-GASCZTMLSA-N 1 1 338.496 0.957 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000192941073 437696134 /nfs/dbraw/zinc/69/61/34/437696134.db2.gz SSRCJSRUCFXYTB-HNNXBMFYSA-N 1 1 349.460 0.958 50 0 ECAAMO Cc1nc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cs1 ZINC000426726677 438074470 /nfs/dbraw/zinc/07/44/70/438074470.db2.gz AYYMDKUNEJXADB-LLVKDONJSA-N 1 1 347.444 1.538 50 0 ECAAMO CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2COC[C@H]2O)N(C(=O)OC(C)(C)C)C1 ZINC000583650751 439494834 /nfs/dbraw/zinc/49/48/34/439494834.db2.gz AGLNWIJICHPWPP-IGQOVBAYSA-N 1 1 330.425 0.702 50 0 ECAAMO O=C(CCCn1cnnn1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534645921 439530592 /nfs/dbraw/zinc/53/05/92/439530592.db2.gz LUVCBKZRWOWMTD-OAHLLOKOSA-N 1 1 329.408 0.629 50 0 ECAAMO O=C(CCCn1cnnn1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534645921 439530598 /nfs/dbraw/zinc/53/05/98/439530598.db2.gz LUVCBKZRWOWMTD-OAHLLOKOSA-N 1 1 329.408 0.629 50 0 ECAAMO Cc1cccc2nc(COCC(=O)N3C[C@@H]4[NH2+]CCO[C@H]4C3)[nH]c21 ZINC000534646018 439530682 /nfs/dbraw/zinc/53/06/82/439530682.db2.gz VNEVZDJOMQVPBJ-KBPBESRZSA-N 1 1 330.388 0.587 50 0 ECAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000585123780 439632866 /nfs/dbraw/zinc/63/28/66/439632866.db2.gz LOBCHLUARKRPHJ-CQSZACIVSA-N 1 1 349.472 0.552 50 0 ECAAMO COc1ncc(Br)cc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000628795679 440551013 /nfs/dbraw/zinc/55/10/13/440551013.db2.gz IRZOYKPPHMNHED-LLVKDONJSA-N 1 1 344.209 0.800 50 0 ECAAMO COc1ncc(Br)cc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000628795679 440551017 /nfs/dbraw/zinc/55/10/17/440551017.db2.gz IRZOYKPPHMNHED-LLVKDONJSA-N 1 1 344.209 0.800 50 0 ECAAMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N(C)C(C)=O)cc2)C1 ZINC000244707775 536366410 /nfs/dbraw/zinc/36/64/10/536366410.db2.gz KHJHEAADGYJWQE-CYBMUJFWSA-N 1 1 332.404 0.676 50 0 ECAAMO CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735735 545713522 /nfs/dbraw/zinc/71/35/22/545713522.db2.gz YGWCLCLRNFLKTL-HIFRSBDPSA-N 1 1 338.452 0.346 50 0 ECAAMO CC[C@H](C)[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)o1)C(N)=O ZINC000097425240 545730666 /nfs/dbraw/zinc/73/06/66/545730666.db2.gz JNXMTVXTPPHDPZ-WFASDCNBSA-N 1 1 336.436 0.657 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000097570777 545732646 /nfs/dbraw/zinc/73/26/46/545732646.db2.gz KBWDVYWHOQFRNI-WFASDCNBSA-N 1 1 347.419 0.718 50 0 ECAAMO COCCn1cncc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000244852704 545935520 /nfs/dbraw/zinc/93/55/20/545935520.db2.gz UXDWKZIKUAVUKB-HNNXBMFYSA-N 1 1 336.436 0.600 50 0 ECAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2nnc3nc(C)cc(C)n32)C1 ZINC000670463504 548016909 /nfs/dbraw/zinc/01/69/09/548016909.db2.gz YIOFZRWCLTZVEX-AWEZNQCLSA-N 1 1 346.435 0.829 50 0 ECAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)CN1CCOCC1)CC2 ZINC000169782517 609747057 /nfs/dbraw/zinc/74/70/57/609747057.db2.gz IABALTGFGDXBMC-HNNXBMFYSA-N 1 1 325.453 0.135 50 0 ECAAMO CC(C)[C@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981299 612139827 /nfs/dbraw/zinc/13/98/27/612139827.db2.gz DFJLXNLPTGYIBA-JSGCOSHPSA-N 1 1 349.435 0.958 50 0 ECAAMO CC(C)[C@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981299 612139828 /nfs/dbraw/zinc/13/98/28/612139828.db2.gz DFJLXNLPTGYIBA-JSGCOSHPSA-N 1 1 349.435 0.958 50 0 ECAAMO CSCC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC(N)=O)C2)CC1 ZINC000952989589 612140125 /nfs/dbraw/zinc/14/01/25/612140125.db2.gz RZBDIOYKTSZUAO-ZDUSSCGKSA-N 1 1 342.509 0.127 50 0 ECAAMO COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)C(=O)N(C)C(=O)N3C)cc1 ZINC000575544140 749383599 /nfs/dbraw/zinc/38/35/99/749383599.db2.gz UVXPQEADCQEZPN-KRWDZBQOSA-N 1 1 331.372 0.942 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NC(C)(C)c2nnc(N)s2)C1 ZINC000097642019 219043540 /nfs/dbraw/zinc/04/35/40/219043540.db2.gz IWSOSDQNPAWMIO-JTQLQIEISA-N 1 1 327.454 0.971 50 0 ECAAMO NC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000052962284 214157508 /nfs/dbraw/zinc/15/75/08/214157508.db2.gz GGOIMBAZTFIBBZ-CQSZACIVSA-N 1 1 327.388 0.677 50 0 ECAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000052962284 214157512 /nfs/dbraw/zinc/15/75/12/214157512.db2.gz GGOIMBAZTFIBBZ-CQSZACIVSA-N 1 1 327.388 0.677 50 0 ECAAMO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[NH+](CCO)CC1 ZINC000049773819 214031461 /nfs/dbraw/zinc/03/14/61/214031461.db2.gz POXZYQONNKADJQ-UHFFFAOYSA-N 1 1 331.869 0.970 50 0 ECAAMO COc1cc(OC)cc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)c1 ZINC000100619799 219102601 /nfs/dbraw/zinc/10/26/01/219102601.db2.gz XCZVHZKTWOLIJF-OAHLLOKOSA-N 1 1 333.388 0.583 50 0 ECAAMO CN(C)S(=O)(=O)CCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000065404185 214895275 /nfs/dbraw/zinc/89/52/75/214895275.db2.gz ZRFSZQLDPPYVCF-CYBMUJFWSA-N 1 1 331.413 0.436 50 0 ECAAMO NC(=O)CN1CCC=C(C[N@H+]2CCC[C@H](NC(=O)N3CCCC3)C2)C1 ZINC000067803065 215214512 /nfs/dbraw/zinc/21/45/12/215214512.db2.gz QFQRPUWMBFYDJA-INIZCTEOSA-N 1 1 349.479 0.374 50 0 ECAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000067867189 215234972 /nfs/dbraw/zinc/23/49/72/215234972.db2.gz VAFKSCKWUFQZDD-HNNXBMFYSA-N 1 1 339.461 0.943 50 0 ECAAMO O=C(NCc1ccccn1)c1cc2n(n1)CCN(Cc1cnc[nH]1)C2 ZINC000067982803 215267380 /nfs/dbraw/zinc/26/73/80/215267380.db2.gz JJDQWVFBYFWGBU-UHFFFAOYSA-N 1 1 337.387 0.947 50 0 ECAAMO COc1cccc(C[N@@H+](CC(=O)NC(N)=O)C2CCC(O)CC2)c1 ZINC000069010533 215352209 /nfs/dbraw/zinc/35/22/09/215352209.db2.gz VDHWMMKRAWVXAX-UHFFFAOYSA-N 1 1 335.404 0.996 50 0 ECAAMO CNC(=O)NC(=O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000069367477 215389016 /nfs/dbraw/zinc/38/90/16/215389016.db2.gz LRELKFWPXNJIAQ-UHFFFAOYSA-N 1 1 344.375 0.767 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000040549119 213346638 /nfs/dbraw/zinc/34/66/38/213346638.db2.gz RDRXQOLEEFWQOH-UHFFFAOYSA-N 1 1 347.387 0.407 50 0 ECAAMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCC(N)=O ZINC000040534755 213339404 /nfs/dbraw/zinc/33/94/04/213339404.db2.gz OCZZMJNLMCWUHN-ZIAGYGMSSA-N 1 1 347.415 0.916 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040534850 213339126 /nfs/dbraw/zinc/33/91/26/213339126.db2.gz CIGZHNGNPRBYSS-VXGBXAGGSA-N 1 1 348.432 0.234 50 0 ECAAMO Nc1nc(Cl)cc(NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000040497799 213321872 /nfs/dbraw/zinc/32/18/72/213321872.db2.gz MFKOXUTYCVPZMB-WDEREUQCSA-N 1 1 327.816 0.861 50 0 ECAAMO C[C@H]1C[NH+](CCNC(=O)c2cnc3sccn3c2=O)C[C@H](C)O1 ZINC000040489266 213318642 /nfs/dbraw/zinc/31/86/42/213318642.db2.gz QKHUDQOZJFFDLK-QWRGUYRKSA-N 1 1 336.417 0.595 50 0 ECAAMO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000069586629 215486853 /nfs/dbraw/zinc/48/68/53/215486853.db2.gz QWDMMQKLXTVZBT-ZBFHGGJFSA-N 1 1 333.432 0.523 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000037498353 213150321 /nfs/dbraw/zinc/15/03/21/213150321.db2.gz XTFBSUDSBWPNOQ-UHFFFAOYSA-N 1 1 329.198 0.457 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000071827304 283288041 /nfs/dbraw/zinc/28/80/41/283288041.db2.gz ZJWLOOFLVPYPPP-UHFFFAOYSA-N 1 1 345.378 0.691 50 0 ECAAMO Cc1cccnc1NCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072144931 216030380 /nfs/dbraw/zinc/03/03/80/216030380.db2.gz MTUCYEXONFJDJP-HNNXBMFYSA-N 1 1 347.463 0.765 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCCCC2 ZINC000072164886 216054434 /nfs/dbraw/zinc/05/44/34/216054434.db2.gz PZQJEIYOHRNQBK-CYBMUJFWSA-N 1 1 348.451 0.220 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCCCC2 ZINC000072164886 216054436 /nfs/dbraw/zinc/05/44/36/216054436.db2.gz PZQJEIYOHRNQBK-CYBMUJFWSA-N 1 1 348.451 0.220 50 0 ECAAMO O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000072173726 216063572 /nfs/dbraw/zinc/06/35/72/216063572.db2.gz OKRJIIRUOZGQPG-CQSZACIVSA-N 1 1 343.387 0.217 50 0 ECAAMO Cc1nc(C)n(C[C@H]2C[N@H+](CCC(=O)N3CCCCC3)CCO2)n1 ZINC000072253494 216083614 /nfs/dbraw/zinc/08/36/14/216083614.db2.gz QJPCFJWYKQELIV-MRXNPFEDSA-N 1 1 335.452 0.998 50 0 ECAAMO Cc1nc(C)n(C[C@H]2C[N@@H+](CCC(=O)N3CCCCC3)CCO2)n1 ZINC000072253494 216083616 /nfs/dbraw/zinc/08/36/16/216083616.db2.gz QJPCFJWYKQELIV-MRXNPFEDSA-N 1 1 335.452 0.998 50 0 ECAAMO Cn1c2ccc(S(=O)(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2oc1=O ZINC000072277731 216105048 /nfs/dbraw/zinc/10/50/48/216105048.db2.gz RQCDNPJPVMSLIF-LLVKDONJSA-N 1 1 337.401 0.600 50 0 ECAAMO Cc1nn2c(nccc2[C@@H]2C[NH2+]CCO2)c1CN1CCC(O)CC1 ZINC000072344479 216159662 /nfs/dbraw/zinc/15/96/62/216159662.db2.gz JNDNNRAIODVJPI-INIZCTEOSA-N 1 1 331.420 0.655 50 0 ECAAMO CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O ZINC000072409474 216201383 /nfs/dbraw/zinc/20/13/83/216201383.db2.gz WHDNUYKKFHVPFK-UHFFFAOYSA-N 1 1 341.452 0.770 50 0 ECAAMO NC1(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)CC[NH2+]CC1 ZINC000072410160 216202287 /nfs/dbraw/zinc/20/22/87/216202287.db2.gz UKCDIGLGVCNFAJ-SFHVURJKSA-N 1 1 342.487 0.769 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072420248 216209174 /nfs/dbraw/zinc/20/91/74/216209174.db2.gz MANHKZLBOFSOFK-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072420248 216209178 /nfs/dbraw/zinc/20/91/78/216209178.db2.gz MANHKZLBOFSOFK-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000072424241 216212889 /nfs/dbraw/zinc/21/28/89/216212889.db2.gz VHSUWWVDCJGGPW-OAHLLOKOSA-N 1 1 348.447 0.767 50 0 ECAAMO Cn1cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)cn1 ZINC000072481620 216262240 /nfs/dbraw/zinc/26/22/40/216262240.db2.gz NSCGKHDXBILZCF-SFHVURJKSA-N 1 1 339.399 0.396 50 0 ECAAMO Cc1[nH+]ccn1CC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 ZINC000023429159 212376512 /nfs/dbraw/zinc/37/65/12/212376512.db2.gz VDKGBDNRULTFCH-LBPRGKRZSA-N 1 1 332.408 0.775 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCc1nc(-c2ccccn2)no1 ZINC000215667379 241137139 /nfs/dbraw/zinc/13/71/39/241137139.db2.gz IURUHFPHONLEJP-GFCCVEGCSA-N 1 1 331.376 0.247 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCc1nc(-c2ccccn2)no1 ZINC000215667379 241137145 /nfs/dbraw/zinc/13/71/45/241137145.db2.gz IURUHFPHONLEJP-GFCCVEGCSA-N 1 1 331.376 0.247 50 0 ECAAMO Cc1[nH+]ccn1CCCN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244626496 243044101 /nfs/dbraw/zinc/04/41/01/243044101.db2.gz FMTREFLSLPHIFQ-UHFFFAOYSA-N 1 1 341.481 0.540 50 0 ECAAMO CCSc1nnc(NC(=O)C[N@@H+](C)C[C@H]2CC(=O)N(C)C2)s1 ZINC000244633306 243048561 /nfs/dbraw/zinc/04/85/61/243048561.db2.gz GASYJUOLJYVVSB-SECBINFHSA-N 1 1 343.478 0.999 50 0 ECAAMO Nc1nc2[n-]ncc2c(N[C@H]2C[C@@H](c3cc(NCCO)nc[nH+]3)C2)[nH+]1 ZINC000244873602 243092591 /nfs/dbraw/zinc/09/25/91/243092591.db2.gz WSRUHTVMOCJITQ-DTORHVGOSA-N 1 1 341.379 0.487 50 0 ECAAMO NS(=O)(=O)C[C@@H]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000244882483 243094529 /nfs/dbraw/zinc/09/45/29/243094529.db2.gz XSRNNPHGILKSER-CYBMUJFWSA-N 1 1 337.445 0.182 50 0 ECAAMO NS(=O)(=O)C[C@@H]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000244882483 243094532 /nfs/dbraw/zinc/09/45/32/243094532.db2.gz XSRNNPHGILKSER-CYBMUJFWSA-N 1 1 337.445 0.182 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCNS(C)(=O)=O)cc1 ZINC000244884222 243097216 /nfs/dbraw/zinc/09/72/16/243097216.db2.gz YHTVYGUCUYNTKW-UHFFFAOYSA-N 1 1 336.417 0.736 50 0 ECAAMO C[NH+](C)[C@H](C(=O)NCCN1CCCOC1=O)c1ccc2c(c1)OCO2 ZINC000244742267 243072682 /nfs/dbraw/zinc/07/26/82/243072682.db2.gz OESIFGQCHSGGGQ-HNNXBMFYSA-N 1 1 349.387 0.977 50 0 ECAAMO COc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019589738 212048851 /nfs/dbraw/zinc/04/88/51/212048851.db2.gz VBLHKTCEEQXVBU-UHFFFAOYSA-N 1 1 341.433 0.235 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900916 217143509 /nfs/dbraw/zinc/14/35/09/217143509.db2.gz AEOSNUJMLPODBQ-LBPRGKRZSA-N 1 1 345.403 0.940 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900916 217143512 /nfs/dbraw/zinc/14/35/12/217143512.db2.gz AEOSNUJMLPODBQ-LBPRGKRZSA-N 1 1 345.403 0.940 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000078941646 217153734 /nfs/dbraw/zinc/15/37/34/217153734.db2.gz IAJYLNFDKGGJGL-WFASDCNBSA-N 1 1 336.484 0.513 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1CO ZINC000091691475 218047902 /nfs/dbraw/zinc/04/79/02/218047902.db2.gz BPVRWKHSARMWEN-CHWSQXEVSA-N 1 1 328.359 0.569 50 0 ECAAMO [NH3+]C1(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)CC1 ZINC000091779151 218064000 /nfs/dbraw/zinc/06/40/00/218064000.db2.gz ZBZVYHONHQXBIK-KRWDZBQOSA-N 1 1 345.447 0.675 50 0 ECAAMO COc1c[nH]c(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1=O ZINC000091779088 218064071 /nfs/dbraw/zinc/06/40/71/218064071.db2.gz OGELGXUABYZPKC-SFHVURJKSA-N 1 1 348.447 0.512 50 0 ECAAMO COc1ccc(C)cc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091860764 218079503 /nfs/dbraw/zinc/07/95/03/218079503.db2.gz MOIDGHZSCYMEAV-HUUCEWRRSA-N 1 1 336.432 0.608 50 0 ECAAMO Cc1cnn(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)c1 ZINC000091876789 218082504 /nfs/dbraw/zinc/08/25/04/218082504.db2.gz ZYAAUEVNWOMCHS-JKSUJKDBSA-N 1 1 347.463 0.593 50 0 ECAAMO Cc1cnn(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)c1 ZINC000091876789 218082507 /nfs/dbraw/zinc/08/25/07/218082507.db2.gz ZYAAUEVNWOMCHS-JKSUJKDBSA-N 1 1 347.463 0.593 50 0 ECAAMO CCc1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n(C)n1 ZINC000091974174 218097317 /nfs/dbraw/zinc/09/73/17/218097317.db2.gz PTURMYXFQIYPEU-GOSISDBHSA-N 1 1 347.463 0.751 50 0 ECAAMO CC(C)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095359028 218291753 /nfs/dbraw/zinc/29/17/53/218291753.db2.gz INWNBALKTUVLOY-LSDHHAIUSA-N 1 1 326.466 0.934 50 0 ECAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095359028 218291756 /nfs/dbraw/zinc/29/17/56/218291756.db2.gz INWNBALKTUVLOY-LSDHHAIUSA-N 1 1 326.466 0.934 50 0 ECAAMO CCN1CC[NH+](C[C@@H]2CN(c3nccc(OC)n3)C[C@@H]2CO)CC1 ZINC000095368671 218301722 /nfs/dbraw/zinc/30/17/22/218301722.db2.gz AUTUVEDGQSAMIO-HUUCEWRRSA-N 1 1 335.452 0.167 50 0 ECAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H](C)NC(N)=O)CC2)c1C ZINC000095393926 218326013 /nfs/dbraw/zinc/32/60/13/218326013.db2.gz NJNVOVRDPKLUEP-OAHLLOKOSA-N 1 1 347.463 0.598 50 0 ECAAMO Cn1ccnc1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400495 218334752 /nfs/dbraw/zinc/33/47/52/218334752.db2.gz VZBVRPQIPJPZFW-MRXNPFEDSA-N 1 1 328.416 0.980 50 0 ECAAMO Cn1ccnc1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400495 218334756 /nfs/dbraw/zinc/33/47/56/218334756.db2.gz VZBVRPQIPJPZFW-MRXNPFEDSA-N 1 1 328.416 0.980 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000095402305 218336988 /nfs/dbraw/zinc/33/69/88/218336988.db2.gz OJSDWOMCVIRRBA-AWEZNQCLSA-N 1 1 349.435 0.312 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000095402305 218336991 /nfs/dbraw/zinc/33/69/91/218336991.db2.gz OJSDWOMCVIRRBA-AWEZNQCLSA-N 1 1 349.435 0.312 50 0 ECAAMO O=C(CN1CC[NH+](CCCO)CC1)NCCc1c[nH]c2ccccc12 ZINC000095445057 218389002 /nfs/dbraw/zinc/38/90/02/218389002.db2.gz RLYFYVQBOSRCKQ-UHFFFAOYSA-N 1 1 344.459 0.827 50 0 ECAAMO OC1CCN(c2cc[nH+]c(N3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)n2)CC1 ZINC000071738450 285246210 /nfs/dbraw/zinc/24/62/10/285246210.db2.gz AUNBOCLQVYWAOK-IKARSPCKSA-N 1 1 334.420 0.006 50 0 ECAAMO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000299770858 258083478 /nfs/dbraw/zinc/08/34/78/258083478.db2.gz RQORAZQRSCCPGK-IAGOWNOFSA-N 1 1 347.459 0.486 50 0 ECAAMO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000299770858 258083480 /nfs/dbraw/zinc/08/34/80/258083480.db2.gz RQORAZQRSCCPGK-IAGOWNOFSA-N 1 1 347.459 0.486 50 0 ECAAMO Cc1nnsc1CN(C)C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000299774977 258085442 /nfs/dbraw/zinc/08/54/42/258085442.db2.gz JKSQDPUVNGZBSN-LLVKDONJSA-N 1 1 346.478 0.314 50 0 ECAAMO Cc1nnsc1CN(C)C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000299774977 258085444 /nfs/dbraw/zinc/08/54/44/258085444.db2.gz JKSQDPUVNGZBSN-LLVKDONJSA-N 1 1 346.478 0.314 50 0 ECAAMO CN(CC1(CO)CC1)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299793653 258098890 /nfs/dbraw/zinc/09/88/90/258098890.db2.gz IIUDYQFKIGHPAU-GFCCVEGCSA-N 1 1 334.420 0.370 50 0 ECAAMO C[N@H+](CCC(=O)N1CC(c2nccs2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299801093 258103995 /nfs/dbraw/zinc/10/39/95/258103995.db2.gz VSGYPVNFSCHQDR-LBPRGKRZSA-N 1 1 343.474 0.578 50 0 ECAAMO C[N@@H+](CCC(=O)N1CC(c2nccs2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299801093 258103997 /nfs/dbraw/zinc/10/39/97/258103997.db2.gz VSGYPVNFSCHQDR-LBPRGKRZSA-N 1 1 343.474 0.578 50 0 ECAAMO C[NH+]1CCN(C(=O)CCSc2nnnn2-c2ccccc2)CC1 ZINC000225794010 258072842 /nfs/dbraw/zinc/07/28/42/258072842.db2.gz VHDDORSFBQOFQA-UHFFFAOYSA-N 1 1 332.433 0.919 50 0 ECAAMO COCCN1CCC[C@@]2(CCN(C(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000091754554 292532650 /nfs/dbraw/zinc/53/26/50/292532650.db2.gz BACYQEBVSSULQQ-KRWDZBQOSA-N 1 1 338.452 0.315 50 0 ECAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1CCNC1=O ZINC000026299320 274275866 /nfs/dbraw/zinc/27/58/66/274275866.db2.gz HQOPBLOPFRBAII-LBPRGKRZSA-N 1 1 328.376 0.812 50 0 ECAAMO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000053615823 277329119 /nfs/dbraw/zinc/32/91/19/277329119.db2.gz UJSINLVBJAPAPY-SECBINFHSA-N 1 1 339.314 0.792 50 0 ECAAMO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000053615823 277329120 /nfs/dbraw/zinc/32/91/20/277329120.db2.gz UJSINLVBJAPAPY-SECBINFHSA-N 1 1 339.314 0.792 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069879024 277715007 /nfs/dbraw/zinc/71/50/07/277715007.db2.gz NOLBCJVDJKNZGO-KBXIAJHMSA-N 1 1 325.453 0.844 50 0 ECAAMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](CCCS(=O)(=O)N(C)C)CC2 ZINC000253536451 279103833 /nfs/dbraw/zinc/10/38/33/279103833.db2.gz RIBFUICKGQNZSH-UHFFFAOYSA-N 1 1 328.438 0.173 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000071880968 280205723 /nfs/dbraw/zinc/20/57/23/280205723.db2.gz RCFBEWCVCZRMFE-GDBMZVCRSA-N 1 1 337.464 0.693 50 0 ECAAMO Cc1c[nH]c(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091781554 280278441 /nfs/dbraw/zinc/27/84/41/280278441.db2.gz BSFBDWGAXKZSNC-LXTVHRRPSA-N 1 1 336.436 0.508 50 0 ECAAMO CCN1CCN(C2CC[NH+](CC(=O)NC3CCOCC3)CC2)C1=O ZINC000069740960 435963455 /nfs/dbraw/zinc/96/34/55/435963455.db2.gz FYSDXIRDNFAOKP-UHFFFAOYSA-N 1 1 338.452 0.504 50 0 ECAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)Nc1nncs1 ZINC000069739811 435963697 /nfs/dbraw/zinc/96/36/97/435963697.db2.gz RWGWNCBRSWZTKM-CQSZACIVSA-N 1 1 347.444 0.828 50 0 ECAAMO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000002150825 435963855 /nfs/dbraw/zinc/96/38/55/435963855.db2.gz BPSWLWCASKMLQS-STQMWFEESA-N 1 1 335.404 0.258 50 0 ECAAMO O=C(NCc1noc(CN2CC[NH+](CCO)CC2)n1)c1ccccc1 ZINC000069773132 435965203 /nfs/dbraw/zinc/96/52/03/435965203.db2.gz YGBDMSMJZRAPNQ-UHFFFAOYSA-N 1 1 345.403 0.110 50 0 ECAAMO COCC[NH+]1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000069840963 435968729 /nfs/dbraw/zinc/96/87/29/435968729.db2.gz SYZBQFGVYFGWPC-LLVKDONJSA-N 1 1 340.449 0.438 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccnn1Cc1cccs1 ZINC000069809878 435968867 /nfs/dbraw/zinc/96/88/67/435968867.db2.gz GEMXOGBNPYPTEP-UHFFFAOYSA-N 1 1 349.460 0.541 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000069841093 435969907 /nfs/dbraw/zinc/96/99/07/435969907.db2.gz TVELBZBDSCHMFN-UHFFFAOYSA-N 1 1 333.436 0.606 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1 ZINC000069876148 435974336 /nfs/dbraw/zinc/97/43/36/435974336.db2.gz XHGWPCZDFSRXJK-AWEZNQCLSA-N 1 1 346.435 0.199 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)NCc2ccccn2)CC1 ZINC000069918474 435977864 /nfs/dbraw/zinc/97/78/64/435977864.db2.gz MPKDZAPBVYFBHI-OAHLLOKOSA-N 1 1 334.464 0.722 50 0 ECAAMO O=c1cc(CO)oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000070666271 435989051 /nfs/dbraw/zinc/98/90/51/435989051.db2.gz BRBJJMKUWUWYJE-NEPJUHHUSA-N 1 1 344.367 0.619 50 0 ECAAMO O=c1cc(CO)oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000070666271 435989054 /nfs/dbraw/zinc/98/90/54/435989054.db2.gz BRBJJMKUWUWYJE-NEPJUHHUSA-N 1 1 344.367 0.619 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000005748843 435990975 /nfs/dbraw/zinc/99/09/75/435990975.db2.gz MPMUBIQJEKIMQL-CYBMUJFWSA-N 1 1 342.399 0.338 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000069594805 435951217 /nfs/dbraw/zinc/95/12/17/435951217.db2.gz MOCFVJGQRZVBSV-INIZCTEOSA-N 1 1 344.525 0.819 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000069655075 435953428 /nfs/dbraw/zinc/95/34/28/435953428.db2.gz VHVBVKTVFOLRGL-ZFWWWQNUSA-N 1 1 346.435 0.883 50 0 ECAAMO C[C@@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000069655634 435957286 /nfs/dbraw/zinc/95/72/86/435957286.db2.gz GEEKBSVJZDATNK-GFCCVEGCSA-N 1 1 327.375 0.752 50 0 ECAAMO Cn1ccnc1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000069661171 435957461 /nfs/dbraw/zinc/95/74/61/435957461.db2.gz VYRLAKCRTXYCET-INIZCTEOSA-N 1 1 330.432 0.978 50 0 ECAAMO Cc1ccc(C2(O)CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC2)nc1 ZINC000071315408 436006290 /nfs/dbraw/zinc/00/62/90/436006290.db2.gz YRGWWWINUKXZPK-AWEZNQCLSA-N 1 1 329.404 0.493 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(N)=O)C1 ZINC000071810988 436012831 /nfs/dbraw/zinc/01/28/31/436012831.db2.gz MTTFQECLXQWYNF-QWHCGFSZSA-N 1 1 336.440 0.744 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(N)=O)C1 ZINC000071810988 436012838 /nfs/dbraw/zinc/01/28/38/436012838.db2.gz MTTFQECLXQWYNF-QWHCGFSZSA-N 1 1 336.440 0.744 50 0 ECAAMO NC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000071800055 436014268 /nfs/dbraw/zinc/01/42/68/436014268.db2.gz JXOYHVVNOSCSMT-CQSZACIVSA-N 1 1 332.404 0.844 50 0 ECAAMO O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[NH+](C2CC2)CC1 ZINC000071836694 436016058 /nfs/dbraw/zinc/01/60/58/436016058.db2.gz MPNKEIAZGWGCJU-INIZCTEOSA-N 1 1 326.404 0.764 50 0 ECAAMO CC(C)[N@@H+](C)CC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000071847568 436018710 /nfs/dbraw/zinc/01/87/10/436018710.db2.gz UUDHOCZEGOBFIC-UHFFFAOYSA-N 1 1 347.463 0.740 50 0 ECAAMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071841787 436019807 /nfs/dbraw/zinc/01/98/07/436019807.db2.gz OMIHSAAIJKMBAY-CYBMUJFWSA-N 1 1 342.399 0.387 50 0 ECAAMO CC(=O)N[C@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1cccs1 ZINC000071871139 436022058 /nfs/dbraw/zinc/02/20/58/436022058.db2.gz ZHNVHXIDBZMNMN-TZMCWYRMSA-N 1 1 339.461 0.840 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000072268871 436037763 /nfs/dbraw/zinc/03/77/63/436037763.db2.gz FGPAJMMKYLRSTC-CYBMUJFWSA-N 1 1 344.415 0.381 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000013694359 436064882 /nfs/dbraw/zinc/06/48/82/436064882.db2.gz OTDMJGVWMLHYGQ-UHFFFAOYSA-N 1 1 331.395 0.998 50 0 ECAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C(C)C)cc1 ZINC000019796966 436108777 /nfs/dbraw/zinc/10/87/77/436108777.db2.gz BGWWIJHYNSHXNV-KBPBESRZSA-N 1 1 331.459 0.932 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccc(F)cc1 ZINC000016632642 436094832 /nfs/dbraw/zinc/09/48/32/436094832.db2.gz AMZOVSWDQPUKGN-SNVBAGLBSA-N 1 1 348.378 0.509 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccc(F)cc1 ZINC000016632642 436094838 /nfs/dbraw/zinc/09/48/38/436094838.db2.gz AMZOVSWDQPUKGN-SNVBAGLBSA-N 1 1 348.378 0.509 50 0 ECAAMO COCCCNC(=O)[C@H](C)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075131513 436153556 /nfs/dbraw/zinc/15/35/56/436153556.db2.gz FKVWKMXXKCOCRW-ZDUSSCGKSA-N 1 1 326.441 0.359 50 0 ECAAMO CC(C)(C)OC(=O)N1CCN(C[C@@H](O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000075145660 436156028 /nfs/dbraw/zinc/15/60/28/436156028.db2.gz UZZUUDHALJLWOT-HUUCEWRRSA-N 1 1 343.468 0.357 50 0 ECAAMO Cn1ncc(N2CC[C@H](CNC(=O)C[N@@H+](C)C3CCCC3)C2)cc1=O ZINC000077407495 436236467 /nfs/dbraw/zinc/23/64/67/436236467.db2.gz WASGZMXJDSSXJT-CQSZACIVSA-N 1 1 347.463 0.597 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccco1 ZINC000041976235 436289957 /nfs/dbraw/zinc/28/99/57/436289957.db2.gz QVCBYCMECFFMEN-NWDGAFQWSA-N 1 1 329.422 0.423 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3nnnn3C3CC3)C[C@H]2C)CC1 ZINC000078896225 436282460 /nfs/dbraw/zinc/28/24/60/436282460.db2.gz CMVKBNDQXVJWKZ-CJNGLKHVSA-N 1 1 347.467 0.383 50 0 ECAAMO O=C(NCc1ccccn1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759601 436317046 /nfs/dbraw/zinc/31/70/46/436317046.db2.gz LMBVYZUTHRHIDD-GDBMZVCRSA-N 1 1 334.420 0.618 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000045314338 436365658 /nfs/dbraw/zinc/36/56/58/436365658.db2.gz GCQIRYNFXKYVCE-VXGBXAGGSA-N 1 1 334.420 0.361 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000045314338 436365659 /nfs/dbraw/zinc/36/56/59/436365659.db2.gz GCQIRYNFXKYVCE-VXGBXAGGSA-N 1 1 334.420 0.361 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735727 436384663 /nfs/dbraw/zinc/38/46/63/436384663.db2.gz KJAARJLGOCTSAX-KFWWJZLASA-N 1 1 338.452 0.346 50 0 ECAAMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000089375307 436409191 /nfs/dbraw/zinc/40/91/91/436409191.db2.gz ZJBHCBQLIZHLEX-HOTGVXAUSA-N 1 1 331.416 0.624 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000044969471 436356489 /nfs/dbraw/zinc/35/64/89/436356489.db2.gz BUPVBUJXBYQOTH-CQSZACIVSA-N 1 1 346.497 0.395 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000048333402 436449317 /nfs/dbraw/zinc/44/93/17/436449317.db2.gz OXFPNHNQYMAFFR-AWEZNQCLSA-N 1 1 337.807 0.709 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000048343911 436451236 /nfs/dbraw/zinc/45/12/36/436451236.db2.gz FOBHBUULOIKHDU-LBPRGKRZSA-N 1 1 325.434 0.938 50 0 ECAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261997 436415419 /nfs/dbraw/zinc/41/54/19/436415419.db2.gz WUGAUVKWRVKXLJ-VIFPVBQESA-N 1 1 341.209 0.980 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261997 436415423 /nfs/dbraw/zinc/41/54/23/436415423.db2.gz WUGAUVKWRVKXLJ-VIFPVBQESA-N 1 1 341.209 0.980 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000089977293 436424031 /nfs/dbraw/zinc/42/40/31/436424031.db2.gz NERLSNGTMRASFU-UHFFFAOYSA-N 1 1 340.449 0.322 50 0 ECAAMO Cc1nc(CCn2cc[nH+]c2C)n(-c2ccc(S(N)(=O)=O)cc2)n1 ZINC000096132478 436515312 /nfs/dbraw/zinc/51/53/12/436515312.db2.gz MHUULCZQBNNPIY-UHFFFAOYSA-N 1 1 346.416 0.971 50 0 ECAAMO CC[NH+]1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 ZINC000096182093 436518730 /nfs/dbraw/zinc/51/87/30/436518730.db2.gz HGOCHIYJLHVTBT-UHFFFAOYSA-N 1 1 331.376 0.812 50 0 ECAAMO Cc1noc2ncnc(N3CC[N@@H+](Cc4cncn4C)C[C@H](O)C3)c12 ZINC000097088560 436538000 /nfs/dbraw/zinc/53/80/00/436538000.db2.gz XGQITRWAPYIRCZ-ZDUSSCGKSA-N 1 1 343.391 0.343 50 0 ECAAMO Cc1noc2ncnc(N3CC[N@H+](Cc4cncn4C)C[C@H](O)C3)c12 ZINC000097088560 436538003 /nfs/dbraw/zinc/53/80/03/436538003.db2.gz XGQITRWAPYIRCZ-ZDUSSCGKSA-N 1 1 343.391 0.343 50 0 ECAAMO COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000058283052 436623489 /nfs/dbraw/zinc/62/34/89/436623489.db2.gz RXKWATOVZUBDCO-CYBMUJFWSA-N 1 1 334.420 0.439 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC000106868869 436604330 /nfs/dbraw/zinc/60/43/30/436604330.db2.gz SHQUBOBKFHFIHJ-CABCVRRESA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC000106868869 436604331 /nfs/dbraw/zinc/60/43/31/436604331.db2.gz SHQUBOBKFHFIHJ-CABCVRRESA-N 1 1 348.451 0.226 50 0 ECAAMO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@@H]3C)cc21 ZINC000107142647 436608980 /nfs/dbraw/zinc/60/89/80/436608980.db2.gz QTWYQWADRQKESP-XHDPSFHLSA-N 1 1 337.445 0.824 50 0 ECAAMO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@H]3C)ccc21 ZINC000107142619 436608993 /nfs/dbraw/zinc/60/89/93/436608993.db2.gz LPGUKQDSTGJXOX-IAQYHMDHSA-N 1 1 337.445 0.824 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1S(=O)(=O)c1c(C)noc1C ZINC000065397983 436657773 /nfs/dbraw/zinc/65/77/73/436657773.db2.gz AEWWIQSQIRETFW-MNOVXSKESA-N 1 1 331.394 0.158 50 0 ECAAMO CN(C)S(=O)(=O)CCNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000065404183 436658224 /nfs/dbraw/zinc/65/82/24/436658224.db2.gz ZRFSZQLDPPYVCF-ZDUSSCGKSA-N 1 1 331.413 0.436 50 0 ECAAMO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@H]2CO)CCCN1Cc1ccc(F)cc1F ZINC000225548861 436712191 /nfs/dbraw/zinc/71/21/91/436712191.db2.gz YSWNJXUVGRFLFN-OFQRWUPVSA-N 1 1 340.370 0.883 50 0 ECAAMO CCN(C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000229824756 436717319 /nfs/dbraw/zinc/71/73/19/436717319.db2.gz MTJSXOKIBDBAON-CVEARBPZSA-N 1 1 346.435 0.261 50 0 ECAAMO CCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000229824756 436717324 /nfs/dbraw/zinc/71/73/24/436717324.db2.gz MTJSXOKIBDBAON-CVEARBPZSA-N 1 1 346.435 0.261 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000069452813 436774569 /nfs/dbraw/zinc/77/45/69/436774569.db2.gz RZEMSIUDYFTKSD-INIZCTEOSA-N 1 1 348.495 0.090 50 0 ECAAMO C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CCN1Cc1nccn1C ZINC000069487811 436776000 /nfs/dbraw/zinc/77/60/00/436776000.db2.gz LDNKFVMKDLXVSW-AWEZNQCLSA-N 1 1 343.497 0.208 50 0 ECAAMO C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CCN1Cc1nccn1C ZINC000069487811 436776003 /nfs/dbraw/zinc/77/60/03/436776003.db2.gz LDNKFVMKDLXVSW-AWEZNQCLSA-N 1 1 343.497 0.208 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CO ZINC000257191308 436859076 /nfs/dbraw/zinc/85/90/76/436859076.db2.gz PWKVEMHBGLYBFJ-JKSUJKDBSA-N 1 1 344.415 0.632 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000252463381 436831642 /nfs/dbraw/zinc/83/16/42/436831642.db2.gz GGEHXMHTYHJTDE-KGLIPLIRSA-N 1 1 347.481 0.077 50 0 ECAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000252489890 436834649 /nfs/dbraw/zinc/83/46/49/436834649.db2.gz KEKIWGVUPCYELK-CQSZACIVSA-N 1 1 335.452 0.889 50 0 ECAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000252489890 436834654 /nfs/dbraw/zinc/83/46/54/436834654.db2.gz KEKIWGVUPCYELK-CQSZACIVSA-N 1 1 335.452 0.889 50 0 ECAAMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000257365850 436877476 /nfs/dbraw/zinc/87/74/76/436877476.db2.gz VIXGFOVNUACMHY-YOEHRIQHSA-N 1 1 348.495 0.912 50 0 ECAAMO Cc1sccc1CC(=O)N(C)C[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000170605118 436945906 /nfs/dbraw/zinc/94/59/06/436945906.db2.gz WVMMTDVNHYGGMI-OAHLLOKOSA-N 1 1 325.478 0.666 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000170601559 436946488 /nfs/dbraw/zinc/94/64/88/436946488.db2.gz VLMBDXXNKVAYBF-LSDHHAIUSA-N 1 1 341.477 0.352 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)c(C)n2n1 ZINC000416292286 437906950 /nfs/dbraw/zinc/90/69/50/437906950.db2.gz IPOJSJCOSKBCTE-STQMWFEESA-N 1 1 331.420 0.873 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)c(C)n2n1 ZINC000416292286 437906953 /nfs/dbraw/zinc/90/69/53/437906953.db2.gz IPOJSJCOSKBCTE-STQMWFEESA-N 1 1 331.420 0.873 50 0 ECAAMO Cn1nc2c(c1C(=O)N1CCC[N@@H+]([C@H]3COC[C@@H]3O)CC1)CCCC2 ZINC000426420286 438057854 /nfs/dbraw/zinc/05/78/54/438057854.db2.gz WSMFDLCURAMEDX-HOTGVXAUSA-N 1 1 348.447 0.207 50 0 ECAAMO Cn1nc2c(c1C(=O)N1CCC[N@H+]([C@H]3COC[C@@H]3O)CC1)CCCC2 ZINC000426420286 438057857 /nfs/dbraw/zinc/05/78/57/438057857.db2.gz WSMFDLCURAMEDX-HOTGVXAUSA-N 1 1 348.447 0.207 50 0 ECAAMO Cc1n[nH]c(C)c1CNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426471064 438060997 /nfs/dbraw/zinc/06/09/97/438060997.db2.gz VSWXZLRLAOJITK-LBPRGKRZSA-N 1 1 344.419 1.113 50 0 ECAAMO CN(Cc1cccnc1)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426510444 438063348 /nfs/dbraw/zinc/06/33/48/438063348.db2.gz URWHPARYAYATFV-AWEZNQCLSA-N 1 1 329.404 1.416 50 0 ECAAMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000408520357 438581326 /nfs/dbraw/zinc/58/13/26/438581326.db2.gz AQGUSNCQCYDEHG-QWHCGFSZSA-N 1 1 327.425 0.521 50 0 ECAAMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000408520357 438581328 /nfs/dbraw/zinc/58/13/28/438581328.db2.gz AQGUSNCQCYDEHG-QWHCGFSZSA-N 1 1 327.425 0.521 50 0 ECAAMO C[C@@H]1NC(=O)N(CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)C1=O ZINC000528642526 439358472 /nfs/dbraw/zinc/35/84/72/439358472.db2.gz WMPZCJJOOGYBDU-STQMWFEESA-N 1 1 325.409 0.180 50 0 ECAAMO C[NH+]1CCN(CC2(CNC(=O)CCN3CCCCC3=O)CC2)CC1 ZINC000534670621 439532723 /nfs/dbraw/zinc/53/27/23/439532723.db2.gz LPTSSHGSZQBSEU-UHFFFAOYSA-N 1 1 336.480 0.533 50 0 ECAAMO CCn1nc(C)cc1S(=O)(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534675548 439533769 /nfs/dbraw/zinc/53/37/69/439533769.db2.gz HZWWAHOBGVEEAF-STQMWFEESA-N 1 1 328.438 0.353 50 0 ECAAMO O=C(CCC[NH+]1CCOCC1)NCc1nnc(-c2ccncc2)[nH]1 ZINC000584898245 439625603 /nfs/dbraw/zinc/62/56/03/439625603.db2.gz LBYOFWUNMRHTGB-UHFFFAOYSA-N 1 1 330.392 0.595 50 0 ECAAMO C[N@H+](C[C@H](O)COCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000245237645 536441067 /nfs/dbraw/zinc/44/10/67/536441067.db2.gz PBXSPBSLSXUGSR-KBPBESRZSA-N 1 1 331.409 0.822 50 0 ECAAMO C[N@@H+](C[C@H](O)COCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000245237645 536441072 /nfs/dbraw/zinc/44/10/72/536441072.db2.gz PBXSPBSLSXUGSR-KBPBESRZSA-N 1 1 331.409 0.822 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000189727784 528353509 /nfs/dbraw/zinc/35/35/09/528353509.db2.gz PGWYCFUUUPEOLO-NXOAAHMSSA-N 1 1 341.496 0.645 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000189727784 528353513 /nfs/dbraw/zinc/35/35/13/528353513.db2.gz PGWYCFUUUPEOLO-NXOAAHMSSA-N 1 1 341.496 0.645 50 0 ECAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000253537259 535393220 /nfs/dbraw/zinc/39/32/20/535393220.db2.gz HVCXEAVLQNEOQZ-GFCCVEGCSA-N 1 1 342.399 0.997 50 0 ECAAMO COCc1cc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n[nH]1 ZINC000244646882 545934177 /nfs/dbraw/zinc/93/41/77/545934177.db2.gz GQULWCDJHROZJN-GSJFWJNXSA-N 1 1 333.396 0.520 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000244852574 545935275 /nfs/dbraw/zinc/93/52/75/545935275.db2.gz UUVSIHWPLSDZSR-GJZGRUSLSA-N 1 1 345.403 0.399 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000670434682 548009358 /nfs/dbraw/zinc/00/93/58/548009358.db2.gz QZUDMYLFTBDOLP-ZDUSSCGKSA-N 1 1 330.454 0.365 50 0 ECAAMO C[C@@H]1CN(CCC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012463 /nfs/dbraw/zinc/01/24/63/548012463.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 1 1 327.469 0.306 50 0 ECAAMO C[C@@H]1CN(CCC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012468 /nfs/dbraw/zinc/01/24/68/548012468.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 1 1 327.469 0.306 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO ZINC000091707746 608720132 /nfs/dbraw/zinc/72/01/32/608720132.db2.gz VCFKSJFSVPQDII-QZTJIDSGSA-N 1 1 344.459 0.732 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1CO ZINC000091707746 608720134 /nfs/dbraw/zinc/72/01/34/608720134.db2.gz VCFKSJFSVPQDII-QZTJIDSGSA-N 1 1 344.459 0.732 50 0 ECAAMO C[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)CN1CC[NH+](C)CC1 ZINC000183663353 610592537 /nfs/dbraw/zinc/59/25/37/610592537.db2.gz WNSPRJDUYUVRMS-ZDUSSCGKSA-N 1 1 330.436 0.582 50 0 ECAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000952973151 612139029 /nfs/dbraw/zinc/13/90/29/612139029.db2.gz BPJKULKSEYUNHD-HNNXBMFYSA-N 1 1 336.411 0.906 50 0 ECAAMO O=C(c1cncc(NCC[N@@H+]2CCCC[C@H]2CO)n1)N1CCOCC1 ZINC000952973566 612139241 /nfs/dbraw/zinc/13/92/41/612139241.db2.gz JLPOWYXDNCRBPO-AWEZNQCLSA-N 1 1 349.435 0.208 50 0 ECAAMO COc1ccc2oc(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1 ZINC000952972850 612139347 /nfs/dbraw/zinc/13/93/47/612139347.db2.gz QITRCGDKOMMXQQ-LLVKDONJSA-N 1 1 346.387 0.650 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccncc3)CC[C@@]2(CO)C1 ZINC000675021544 741340858 /nfs/dbraw/zinc/34/08/58/741340858.db2.gz QLFDROKOPWBJIA-CABCVRRESA-N 1 1 325.434 0.157 50 0 ECAAMO C[NH+]1CCN(C2(CNC(=O)Cn3ccccc3=O)CCCC2)CC1 ZINC000097618882 219041975 /nfs/dbraw/zinc/04/19/75/219041975.db2.gz GUGLHPAKVBYSFM-UHFFFAOYSA-N 1 1 332.448 0.525 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000051186794 214081852 /nfs/dbraw/zinc/08/18/52/214081852.db2.gz UDIQZAAJIHKHKV-UHFFFAOYSA-N 1 1 342.403 0.081 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3nccnc3C)C[C@@H](O)C2)CC1 ZINC000097694830 219048542 /nfs/dbraw/zinc/04/85/42/219048542.db2.gz XDAFYEUOXXXLAA-QGZVFWFLSA-N 1 1 347.463 0.274 50 0 ECAAMO CCc1nn2c(nc(C[NH+]3CCC(C(=O)NC)CC3)cc2=O)s1 ZINC000053847054 214202535 /nfs/dbraw/zinc/20/25/35/214202535.db2.gz HHWABCCZQBYFDY-UHFFFAOYSA-N 1 1 335.433 0.671 50 0 ECAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCNC1=O ZINC000053943579 214206327 /nfs/dbraw/zinc/20/63/27/214206327.db2.gz BYYUPIZYBIFMDH-UHFFFAOYSA-N 1 1 330.388 0.433 50 0 ECAAMO Cc1ccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1C ZINC000055037180 214266702 /nfs/dbraw/zinc/26/67/02/214266702.db2.gz OLNJEPPKDFPAAW-CYBMUJFWSA-N 1 1 343.431 0.993 50 0 ECAAMO Cc1ccc2nc(CNC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)[nH]c2c1C ZINC000055037180 214266706 /nfs/dbraw/zinc/26/67/06/214266706.db2.gz OLNJEPPKDFPAAW-CYBMUJFWSA-N 1 1 343.431 0.993 50 0 ECAAMO Cc1ccc2nc(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)[nH]c2c1C ZINC000055037180 214266707 /nfs/dbraw/zinc/26/67/07/214266707.db2.gz OLNJEPPKDFPAAW-CYBMUJFWSA-N 1 1 343.431 0.993 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000055153782 214280574 /nfs/dbraw/zinc/28/05/74/214280574.db2.gz QDXRRICWRRBSRO-AWEZNQCLSA-N 1 1 333.436 0.510 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000055153782 214280577 /nfs/dbraw/zinc/28/05/77/214280577.db2.gz QDXRRICWRRBSRO-AWEZNQCLSA-N 1 1 333.436 0.510 50 0 ECAAMO O[C@@H]1CN(Cc2cnn3cccnc23)CC[N@H+](C2CCOCC2)C1 ZINC000097772881 219056110 /nfs/dbraw/zinc/05/61/10/219056110.db2.gz BCDHWDLOGKFHNT-MRXNPFEDSA-N 1 1 331.420 0.387 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000058307198 214541025 /nfs/dbraw/zinc/54/10/25/214541025.db2.gz CFRAKEOUMSZBLF-HNNXBMFYSA-N 1 1 339.461 0.693 50 0 ECAAMO COc1ccc(OC)c(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)c1 ZINC000100139410 219092523 /nfs/dbraw/zinc/09/25/23/219092523.db2.gz OCVXWQULSDVZFV-CQSZACIVSA-N 1 1 333.388 0.583 50 0 ECAAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000101003706 219113515 /nfs/dbraw/zinc/11/35/15/219113515.db2.gz WVOVXOKSWGSNJR-CQSZACIVSA-N 1 1 337.807 0.582 50 0 ECAAMO COc1c(C)c[nH+]c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1C ZINC000067227063 215124882 /nfs/dbraw/zinc/12/48/82/215124882.db2.gz KREYARFMEFKLJG-UHFFFAOYSA-N 1 1 346.431 0.630 50 0 ECAAMO COCc1ncc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC000067473027 215150897 /nfs/dbraw/zinc/15/08/97/215150897.db2.gz KJXVMGGFFADVKL-UHFFFAOYSA-N 1 1 334.420 0.694 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1-c1nnc[nH]1 ZINC000067674600 215179239 /nfs/dbraw/zinc/17/92/39/215179239.db2.gz HYVCKYHQZWITTM-MFKMUULPSA-N 1 1 328.376 0.150 50 0 ECAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3cccc(-c4nc[nH]n4)c3)C[C@H]2C1 ZINC000067935086 215252234 /nfs/dbraw/zinc/25/22/34/215252234.db2.gz SMSPHIMHUMKBLP-GJZGRUSLSA-N 1 1 326.404 0.590 50 0 ECAAMO C[N@@H+]1CCN2C[C@@H](NC(=O)c3cccc(-c4nc[nH]n4)c3)C[C@H]2C1 ZINC000067935086 215252237 /nfs/dbraw/zinc/25/22/37/215252237.db2.gz SMSPHIMHUMKBLP-GJZGRUSLSA-N 1 1 326.404 0.590 50 0 ECAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3cccc(-c4nc[nH]n4)c3)C[C@H]2C1 ZINC000067935086 215252240 /nfs/dbraw/zinc/25/22/40/215252240.db2.gz SMSPHIMHUMKBLP-GJZGRUSLSA-N 1 1 326.404 0.590 50 0 ECAAMO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068958144 215348924 /nfs/dbraw/zinc/34/89/24/215348924.db2.gz TXEWEFXHTGZSJD-QGZVFWFLSA-N 1 1 345.443 0.669 50 0 ECAAMO Nc1nc(Cl)cc(NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000040497798 213322656 /nfs/dbraw/zinc/32/26/56/213322656.db2.gz MFKOXUTYCVPZMB-QWRGUYRKSA-N 1 1 327.816 0.861 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000040489172 213318253 /nfs/dbraw/zinc/31/82/53/213318253.db2.gz JTBUIPLQZMKJHE-UHFFFAOYSA-N 1 1 342.399 0.271 50 0 ECAAMO CC[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072135462 216024583 /nfs/dbraw/zinc/02/45/83/216024583.db2.gz FZYNHEHIZQSZCA-RXGFPQBGSA-N 1 1 325.434 0.924 50 0 ECAAMO CC[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072135462 216024586 /nfs/dbraw/zinc/02/45/86/216024586.db2.gz FZYNHEHIZQSZCA-RXGFPQBGSA-N 1 1 325.434 0.924 50 0 ECAAMO CC[NH+]1CCC(N2CCN[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000072144957 216030793 /nfs/dbraw/zinc/03/07/93/216030793.db2.gz WWVMVTKOVYQAHT-QGZVFWFLSA-N 1 1 331.464 0.456 50 0 ECAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCOCC1 ZINC000072159055 216048590 /nfs/dbraw/zinc/04/85/90/216048590.db2.gz GBNLQKTVYXWWED-KRWDZBQOSA-N 1 1 345.443 0.669 50 0 ECAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCOCC1 ZINC000072159055 216048594 /nfs/dbraw/zinc/04/85/94/216048594.db2.gz GBNLQKTVYXWWED-KRWDZBQOSA-N 1 1 345.443 0.669 50 0 ECAAMO Cc1nnc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)[nH]1 ZINC000072167203 216057264 /nfs/dbraw/zinc/05/72/64/216057264.db2.gz HKRCSWWHQAKWNQ-CQSZACIVSA-N 1 1 348.451 0.500 50 0 ECAAMO Cn1c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc(=O)n(C)c1=O ZINC000072299966 216137680 /nfs/dbraw/zinc/13/76/80/216137680.db2.gz CCRWKPDANXTSME-GFCCVEGCSA-N 1 1 345.403 0.724 50 0 ECAAMO Cn1c(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc(=O)n(C)c1=O ZINC000072299966 216137685 /nfs/dbraw/zinc/13/76/85/216137685.db2.gz CCRWKPDANXTSME-GFCCVEGCSA-N 1 1 345.403 0.724 50 0 ECAAMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301479 216139865 /nfs/dbraw/zinc/13/98/65/216139865.db2.gz UQMRRSKQYIVJSA-FUHWJXTLSA-N 1 1 346.475 0.644 50 0 ECAAMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072421004 216209281 /nfs/dbraw/zinc/20/92/81/216209281.db2.gz QCQPCNPSMUFPLU-AWEZNQCLSA-N 1 1 348.378 0.458 50 0 ECAAMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072421004 216209282 /nfs/dbraw/zinc/20/92/82/216209282.db2.gz QCQPCNPSMUFPLU-AWEZNQCLSA-N 1 1 348.378 0.458 50 0 ECAAMO O=C(CN1CC(=O)NC1=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072430990 216223221 /nfs/dbraw/zinc/22/32/21/216223221.db2.gz NLBMJNNQVXBAQC-UHFFFAOYSA-N 1 1 348.378 0.412 50 0 ECAAMO O=C(CN1CC(=O)NC1=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072430990 216223227 /nfs/dbraw/zinc/22/32/27/216223227.db2.gz NLBMJNNQVXBAQC-UHFFFAOYSA-N 1 1 348.378 0.412 50 0 ECAAMO COCC[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072431933 216225906 /nfs/dbraw/zinc/22/59/06/216225906.db2.gz IHRNOVOLXUADEK-AWEZNQCLSA-N 1 1 337.468 0.598 50 0 ECAAMO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000022664391 212316072 /nfs/dbraw/zinc/31/60/72/212316072.db2.gz FGHHYWFGEXWFPN-CQSZACIVSA-N 1 1 332.404 0.111 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000216454314 241194055 /nfs/dbraw/zinc/19/40/55/241194055.db2.gz QZFMXIGVJBOSSK-AWEZNQCLSA-N 1 1 328.372 0.203 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000216454314 241194061 /nfs/dbraw/zinc/19/40/61/241194061.db2.gz QZFMXIGVJBOSSK-AWEZNQCLSA-N 1 1 328.372 0.203 50 0 ECAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000215459936 241126326 /nfs/dbraw/zinc/12/63/26/241126326.db2.gz YGTXYUHYGHIINP-HOTGVXAUSA-N 1 1 344.419 0.134 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000215459936 241126330 /nfs/dbraw/zinc/12/63/30/241126330.db2.gz YGTXYUHYGHIINP-HOTGVXAUSA-N 1 1 344.419 0.134 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000215459936 241126333 /nfs/dbraw/zinc/12/63/33/241126333.db2.gz YGTXYUHYGHIINP-HOTGVXAUSA-N 1 1 344.419 0.134 50 0 ECAAMO Cn1ccnc1[C@H](NC(=O)C[N@H+]1CC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229264979 242155105 /nfs/dbraw/zinc/15/51/05/242155105.db2.gz YFBWMESBNHIIKV-GDBMZVCRSA-N 1 1 341.415 0.433 50 0 ECAAMO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000229713714 242190912 /nfs/dbraw/zinc/19/09/12/242190912.db2.gz ABQRHONVSIYSFY-CABCVRRESA-N 1 1 337.445 0.951 50 0 ECAAMO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)on1 ZINC000244873260 243092308 /nfs/dbraw/zinc/09/23/08/243092308.db2.gz WMUYOXIDVIBNKB-HZPDHXFCSA-N 1 1 330.388 0.672 50 0 ECAAMO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)on1 ZINC000244873260 243092313 /nfs/dbraw/zinc/09/23/13/243092313.db2.gz WMUYOXIDVIBNKB-HZPDHXFCSA-N 1 1 330.388 0.672 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1 ZINC000253536544 244013274 /nfs/dbraw/zinc/01/32/74/244013274.db2.gz HYBHQSJIXYEMKJ-AWEZNQCLSA-N 1 1 348.447 0.980 50 0 ECAAMO O=C1C=C(N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458033 212132569 /nfs/dbraw/zinc/13/25/69/212132569.db2.gz OABQXFFJMZDBSW-UHFFFAOYSA-N 1 1 335.791 0.707 50 0 ECAAMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000020029394 212094828 /nfs/dbraw/zinc/09/48/28/212094828.db2.gz LKRQBMPAJNJRCX-CQSZACIVSA-N 1 1 339.461 0.924 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000019999981 212093908 /nfs/dbraw/zinc/09/39/08/212093908.db2.gz IKTUZZBNIPTJMO-UHFFFAOYSA-N 1 1 329.397 0.366 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000019589734 212049347 /nfs/dbraw/zinc/04/93/47/212049347.db2.gz SLELOVHWLXLOGW-UHFFFAOYSA-N 1 1 345.852 0.880 50 0 ECAAMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](CCO)CC1)c1cccs1 ZINC000078241540 217031916 /nfs/dbraw/zinc/03/19/16/217031916.db2.gz OWQXCDMJDHTIPH-ZDUSSCGKSA-N 1 1 325.434 0.452 50 0 ECAAMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012313888 211342838 /nfs/dbraw/zinc/34/28/38/211342838.db2.gz HTMFZKRSIQONFZ-AWEZNQCLSA-N 1 1 332.383 0.983 50 0 ECAAMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012313888 211342842 /nfs/dbraw/zinc/34/28/42/211342842.db2.gz HTMFZKRSIQONFZ-AWEZNQCLSA-N 1 1 332.383 0.983 50 0 ECAAMO CN1CC[C@]2(CN(C(=O)CCCc3cn[nH]c3)CC[N@H+]2C)CCC1=O ZINC000091663320 218041970 /nfs/dbraw/zinc/04/19/70/218041970.db2.gz YZLFAHRDYHAEMQ-SFHVURJKSA-N 1 1 347.463 0.888 50 0 ECAAMO COCCc1noc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091745629 218057243 /nfs/dbraw/zinc/05/72/43/218057243.db2.gz DWLDOCQYLZKOOK-INIZCTEOSA-N 1 1 338.408 0.065 50 0 ECAAMO CNc1nc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)[nH+]c2c1CCC2 ZINC000091746932 218057808 /nfs/dbraw/zinc/05/78/08/218057808.db2.gz JRNOEJRTAYXTGX-GOSISDBHSA-N 1 1 345.447 0.818 50 0 ECAAMO O=C(Cc1ccccc1F)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091859149 218078979 /nfs/dbraw/zinc/07/89/79/218078979.db2.gz DSHKJPLWHTYGFF-HZPDHXFCSA-N 1 1 336.407 0.767 50 0 ECAAMO COc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c2ccccc12 ZINC000091866991 218080900 /nfs/dbraw/zinc/08/09/00/218080900.db2.gz XWIDKBLBVNFJBR-CQSZACIVSA-N 1 1 339.395 0.991 50 0 ECAAMO COc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c2ccccc12 ZINC000091866991 218080902 /nfs/dbraw/zinc/08/09/02/218080902.db2.gz XWIDKBLBVNFJBR-CQSZACIVSA-N 1 1 339.395 0.991 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2n[nH]cc2Cl)C[C@@H]1CO ZINC000091907652 218087077 /nfs/dbraw/zinc/08/70/77/218087077.db2.gz AKSVRQBBCXCKKV-GHMZBOCLSA-N 1 1 330.816 0.322 50 0 ECAAMO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2[nH]ncc2Cl)C[C@@H]1CO ZINC000091907652 218087078 /nfs/dbraw/zinc/08/70/78/218087078.db2.gz AKSVRQBBCXCKKV-GHMZBOCLSA-N 1 1 330.816 0.322 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2[nH]ncc2Cl)C[C@@H]1CO ZINC000091907652 218087079 /nfs/dbraw/zinc/08/70/79/218087079.db2.gz AKSVRQBBCXCKKV-GHMZBOCLSA-N 1 1 330.816 0.322 50 0 ECAAMO CCc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)n(C)n1 ZINC000091974173 218096706 /nfs/dbraw/zinc/09/67/06/218096706.db2.gz PTURMYXFQIYPEU-SFHVURJKSA-N 1 1 347.463 0.751 50 0 ECAAMO CN(C)c1nc(N2CCN(Cc3cnc4cnccn34)CC2)cc[nH+]1 ZINC000093562705 218233041 /nfs/dbraw/zinc/23/30/41/218233041.db2.gz KMUGFAKPIXSNAC-UHFFFAOYSA-N 1 1 338.419 0.908 50 0 ECAAMO COCC(=O)N1CCC[C@H](C(=O)NCCNc2[nH+]cccc2C)C1 ZINC000095358389 218292312 /nfs/dbraw/zinc/29/23/12/218292312.db2.gz GGXFFEJSCJHQBR-AWEZNQCLSA-N 1 1 334.420 0.803 50 0 ECAAMO CN(CCNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C)S(C)(=O)=O ZINC000095368967 218301937 /nfs/dbraw/zinc/30/19/37/218301937.db2.gz RKJQOQHBCBKOGM-ZDUSSCGKSA-N 1 1 331.413 0.436 50 0 ECAAMO C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000095405285 218341391 /nfs/dbraw/zinc/34/13/91/218341391.db2.gz JUVOAZQBIHZTLB-YCPHGPKFSA-N 1 1 334.464 0.981 50 0 ECAAMO CC(C)Nc1cc[nH+]c(N2CCN(C(=O)C3(CO)CC3)C[C@@H](O)C2)n1 ZINC000097604084 219040274 /nfs/dbraw/zinc/04/02/74/219040274.db2.gz JKOCRVBXXCHQRU-CYBMUJFWSA-N 1 1 349.435 0.079 50 0 ECAAMO CC[N@H+]1CCCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000089977262 285223701 /nfs/dbraw/zinc/22/37/01/285223701.db2.gz JBHPPHULXYWCSI-UHFFFAOYSA-N 1 1 338.496 0.923 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCOCC2)cn1 ZINC000283035573 258013110 /nfs/dbraw/zinc/01/31/10/258013110.db2.gz CNAJMAGLACKPTI-UHFFFAOYSA-N 1 1 329.360 0.051 50 0 ECAAMO COc1ccc2[nH]c(CCNC(=O)CN3CCC[N@@H+](C)CC3)nc2c1 ZINC000299777956 258087525 /nfs/dbraw/zinc/08/75/25/258087525.db2.gz PSIIZCSUPPTBOM-UHFFFAOYSA-N 1 1 345.447 0.868 50 0 ECAAMO COc1ccc2nc(CCNC(=O)CN3CCC[N@H+](C)CC3)[nH]c2c1 ZINC000299777956 258087527 /nfs/dbraw/zinc/08/75/27/258087527.db2.gz PSIIZCSUPPTBOM-UHFFFAOYSA-N 1 1 345.447 0.868 50 0 ECAAMO COc1ccc2nc(CCNC(=O)CN3CCC[N@@H+](C)CC3)[nH]c2c1 ZINC000299777956 258087528 /nfs/dbraw/zinc/08/75/28/258087528.db2.gz PSIIZCSUPPTBOM-UHFFFAOYSA-N 1 1 345.447 0.868 50 0 ECAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1cnn3cccnc13)[C@H]1CCOC[C@H]12 ZINC000299759473 258076780 /nfs/dbraw/zinc/07/67/80/258076780.db2.gz SCJCZGUVXLFIIE-DFGXFYAUSA-N 1 1 344.415 0.718 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@@H]2C1 ZINC000285935471 264353473 /nfs/dbraw/zinc/35/34/73/264353473.db2.gz VIGQNLACHAXGID-HZPDHXFCSA-N 1 1 342.399 0.328 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000096181781 276191135 /nfs/dbraw/zinc/19/11/35/276191135.db2.gz MCHGSNCGXAACKX-DLBZAZTESA-N 1 1 349.406 0.888 50 0 ECAAMO CCCc1n[nH]cc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095376164 276296276 /nfs/dbraw/zinc/29/62/76/276296276.db2.gz HVGLEOZQZDLIAX-HUUCEWRRSA-N 1 1 349.479 0.290 50 0 ECAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148037 276324843 /nfs/dbraw/zinc/32/48/43/276324843.db2.gz WXAHJYVTTHDRRJ-SNVBAGLBSA-N 1 1 334.380 0.227 50 0 ECAAMO Cc1nc2c(c(N3CCC(c4nn[nH]n4)CC3)n1)CC[N@@H+](C)CC2 ZINC000065374948 282009246 /nfs/dbraw/zinc/00/92/46/282009246.db2.gz GVCGJJLHJMIZDR-UHFFFAOYSA-N 1 1 328.424 0.713 50 0 ECAAMO C[C@H](C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)n1cncn1 ZINC000252463364 289353089 /nfs/dbraw/zinc/35/30/89/289353089.db2.gz CNMRWJZLYDPXJW-WBVHZDCISA-N 1 1 342.447 0.944 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]2CO)CC1 ZINC000095380687 290046219 /nfs/dbraw/zinc/04/62/19/290046219.db2.gz AEYKITYKGSYMPQ-QZTJIDSGSA-N 1 1 347.459 0.673 50 0 ECAAMO CC(=O)c1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000069703375 435958905 /nfs/dbraw/zinc/95/89/05/435958905.db2.gz YNFIARPGKGJHLA-QGZVFWFLSA-N 1 1 348.447 0.961 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NC[C@@H]1CCCc2ccccc21 ZINC000069773541 435965756 /nfs/dbraw/zinc/96/57/56/435965756.db2.gz VBEAMCRCYYBHGV-KRWDZBQOSA-N 1 1 331.460 0.833 50 0 ECAAMO C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069844603 435969337 /nfs/dbraw/zinc/96/93/37/435969337.db2.gz DOKUPECKXMMGOH-HUUCEWRRSA-N 1 1 328.453 0.876 50 0 ECAAMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069870040 435972020 /nfs/dbraw/zinc/97/20/20/435972020.db2.gz HDPCYWDBLCRHMV-CVEARBPZSA-N 1 1 335.452 0.070 50 0 ECAAMO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N(C)C ZINC000069897402 435974393 /nfs/dbraw/zinc/97/43/93/435974393.db2.gz CXERCRCYOVSGRZ-AWEZNQCLSA-N 1 1 348.447 0.795 50 0 ECAAMO Cn1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)n1 ZINC000069951893 435980400 /nfs/dbraw/zinc/98/04/00/435980400.db2.gz JYDGCICSEFTUOX-UHFFFAOYSA-N 1 1 334.342 0.968 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000070077046 435986468 /nfs/dbraw/zinc/98/64/68/435986468.db2.gz LOBLBERTIQEASL-GHMZBOCLSA-N 1 1 332.447 0.461 50 0 ECAAMO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[NH+](C)CC2)c1 ZINC000005691252 435990291 /nfs/dbraw/zinc/99/02/91/435990291.db2.gz JQHRQZOPCCJXGZ-UHFFFAOYSA-N 1 1 342.490 0.881 50 0 ECAAMO COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)N3CCNC3=O)CC2)c1 ZINC000069617645 435951314 /nfs/dbraw/zinc/95/13/14/435951314.db2.gz SIMXAROKTHHGLE-CQSZACIVSA-N 1 1 346.431 0.926 50 0 ECAAMO O=C1NCCN1[C@@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000069631361 435952918 /nfs/dbraw/zinc/95/29/18/435952918.db2.gz DAXVGSDSMFJUEG-CYBMUJFWSA-N 1 1 341.415 0.955 50 0 ECAAMO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000069657967 435957591 /nfs/dbraw/zinc/95/75/91/435957591.db2.gz OQVKGIOWBJMRJO-OAHLLOKOSA-N 1 1 334.468 0.591 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C ZINC000071864182 436019913 /nfs/dbraw/zinc/01/99/13/436019913.db2.gz IBTAJOPBWPDSQF-UONOGXRCSA-N 1 1 346.431 0.359 50 0 ECAAMO O[C@@H](Cn1cccn1)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071877597 436025498 /nfs/dbraw/zinc/02/54/98/436025498.db2.gz LNUJOFVHOYUQNP-OAHLLOKOSA-N 1 1 346.435 0.712 50 0 ECAAMO COCCNC(=O)c1ccc(NCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000071882462 436025555 /nfs/dbraw/zinc/02/55/55/436025555.db2.gz ADMVGIVFUJWGTP-ZIAGYGMSSA-N 1 1 336.436 0.979 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCCN2CCC[N@@H+](C)CC2)cn1 ZINC000071920355 436029458 /nfs/dbraw/zinc/02/94/58/436029458.db2.gz CPJPYUWKQRISHW-UHFFFAOYSA-N 1 1 349.435 0.173 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCN(C)CC2)cn1 ZINC000071920355 436029462 /nfs/dbraw/zinc/02/94/62/436029462.db2.gz CPJPYUWKQRISHW-UHFFFAOYSA-N 1 1 349.435 0.173 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCN(C)CC2)cn1 ZINC000071920355 436029464 /nfs/dbraw/zinc/02/94/64/436029464.db2.gz CPJPYUWKQRISHW-UHFFFAOYSA-N 1 1 349.435 0.173 50 0 ECAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCNC(=O)C1 ZINC000008707887 436030107 /nfs/dbraw/zinc/03/01/07/436030107.db2.gz LBVYEKKFFXVKJB-OAHLLOKOSA-N 1 1 330.432 0.151 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNc2nc3nonc3nc2N2CCCC2)C1 ZINC000019112002 436105440 /nfs/dbraw/zinc/10/54/40/436105440.db2.gz QPNMIKOJURNMQA-LBPRGKRZSA-N 1 1 347.423 0.993 50 0 ECAAMO C[C@@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000015936089 436086390 /nfs/dbraw/zinc/08/63/90/436086390.db2.gz MPPXADZECOINGY-AWEZNQCLSA-N 1 1 347.415 0.639 50 0 ECAAMO CC[N@@H+]1CCO[C@@H](CN2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129528 436151183 /nfs/dbraw/zinc/15/11/83/436151183.db2.gz ZHUHRYDKWPWRHA-CQSZACIVSA-N 1 1 339.402 0.904 50 0 ECAAMO CC[N@H+]1CCO[C@@H](CN2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129528 436151188 /nfs/dbraw/zinc/15/11/88/436151188.db2.gz ZHUHRYDKWPWRHA-CQSZACIVSA-N 1 1 339.402 0.904 50 0 ECAAMO CCN1CCO[C@@H](C[NH+]2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129528 436151192 /nfs/dbraw/zinc/15/11/92/436151192.db2.gz ZHUHRYDKWPWRHA-CQSZACIVSA-N 1 1 339.402 0.904 50 0 ECAAMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132925 436151618 /nfs/dbraw/zinc/15/16/18/436151618.db2.gz LOCIVAAAAYQBRV-ZFWWWQNUSA-N 1 1 338.452 0.502 50 0 ECAAMO Cc1ccccc1[C@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)NC(N)=O ZINC000075131221 436152431 /nfs/dbraw/zinc/15/24/31/436152431.db2.gz LBRGYHUJEBRGPB-HOCLYGCPSA-N 1 1 348.447 0.620 50 0 ECAAMO Cc1noc2nc(C)nc(N3CC[NH+](CCn4cncn4)CC3)c12 ZINC000077339497 436234421 /nfs/dbraw/zinc/23/44/21/436234421.db2.gz UNRAJZYUTYBUMP-UHFFFAOYSA-N 1 1 328.380 0.648 50 0 ECAAMO CC(C)[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000028842932 436194256 /nfs/dbraw/zinc/19/42/56/436194256.db2.gz ZVXSURWXJMUHDH-UHFFFAOYSA-N 1 1 344.415 0.760 50 0 ECAAMO CC(C)N1C[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)CC1=O ZINC000077303454 436230376 /nfs/dbraw/zinc/23/03/76/436230376.db2.gz RFJMBBLAXLYCCX-MRXNPFEDSA-N 1 1 332.448 0.889 50 0 ECAAMO O=C(CN1C(=O)CSc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000078800800 436278464 /nfs/dbraw/zinc/27/84/64/436278464.db2.gz IDEYIPDKMIOZGM-UHFFFAOYSA-N 1 1 335.429 0.262 50 0 ECAAMO CC1(C)NC(=O)N(CCC[NH+]2CCN(c3nccs3)CC2)C1=O ZINC000041626143 436280489 /nfs/dbraw/zinc/28/04/89/436280489.db2.gz DPXVHYKATCCKPH-UHFFFAOYSA-N 1 1 337.449 0.986 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000044910177 436352896 /nfs/dbraw/zinc/35/28/96/436352896.db2.gz KXOVGJBYAHXUFC-AWEZNQCLSA-N 1 1 332.404 0.759 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000044066929 436338375 /nfs/dbraw/zinc/33/83/75/436338375.db2.gz KVBHJUVVAXBEEP-UHFFFAOYSA-N 1 1 325.796 0.785 50 0 ECAAMO COC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082162085 436362644 /nfs/dbraw/zinc/36/26/44/436362644.db2.gz IHSMUHWBFRALMS-CQSZACIVSA-N 1 1 339.436 0.788 50 0 ECAAMO CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000049278075 436467158 /nfs/dbraw/zinc/46/71/58/436467158.db2.gz ZQZRVIWALCPRGP-UHFFFAOYSA-N 1 1 348.447 0.778 50 0 ECAAMO CNC(=O)C[NH+]1CCC(Nc2nn3c(nc(C)cc3=O)s2)CC1 ZINC000048303460 436449091 /nfs/dbraw/zinc/44/90/91/436449091.db2.gz ATVGYODMTDFCGC-UHFFFAOYSA-N 1 1 336.421 0.082 50 0 ECAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](C[C@@H](O)CO)CC2 ZINC000092038403 436466554 /nfs/dbraw/zinc/46/65/54/436466554.db2.gz NQQWDMYFIABQQQ-CQSZACIVSA-N 1 1 348.447 0.239 50 0 ECAAMO CN1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000047458707 436420181 /nfs/dbraw/zinc/42/01/81/436420181.db2.gz AAVGTQPPAFUTRL-HNNXBMFYSA-N 1 1 330.432 0.403 50 0 ECAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CNC(=O)N2)C[C@@H](C)O1 ZINC000089936710 436420731 /nfs/dbraw/zinc/42/07/31/436420731.db2.gz DQQAJLLSDPFPBT-IOASZLSFSA-N 1 1 346.431 0.593 50 0 ECAAMO CC[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000089948598 436422500 /nfs/dbraw/zinc/42/25/00/436422500.db2.gz ALQDXPIESOUZLT-KBPBESRZSA-N 1 1 329.404 0.912 50 0 ECAAMO CC(=O)NCC1CCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)CC1 ZINC000096149713 436515135 /nfs/dbraw/zinc/51/51/35/436515135.db2.gz WAZZWWKXJKOHOS-UHFFFAOYSA-N 1 1 347.467 0.163 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H](c1ccccc1)n1cnnn1 ZINC000095476334 436495901 /nfs/dbraw/zinc/49/59/01/436495901.db2.gz RGGOSCCDDBLVTK-OAHLLOKOSA-N 1 1 330.392 0.101 50 0 ECAAMO CC(C)(CO)[N@@H+](CCO)CC(=O)NCCOc1cccc(F)c1 ZINC000096012854 436503459 /nfs/dbraw/zinc/50/34/59/436503459.db2.gz AGICBDZKECWEQP-UHFFFAOYSA-N 1 1 328.384 0.386 50 0 ECAAMO CCn1cnnc1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420794 436531301 /nfs/dbraw/zinc/53/13/01/436531301.db2.gz WJFCTDHBTCAYKJ-INIZCTEOSA-N 1 1 343.431 0.858 50 0 ECAAMO CCn1cnnc1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420794 436531306 /nfs/dbraw/zinc/53/13/06/436531306.db2.gz WJFCTDHBTCAYKJ-INIZCTEOSA-N 1 1 343.431 0.858 50 0 ECAAMO C[N@H+]1CCC[C@@H](N2CCN(c3nnc(Cl)cc3C(N)=O)CC2)C1 ZINC000096446539 436531372 /nfs/dbraw/zinc/53/13/72/436531372.db2.gz MCPMNBHKOQPRCT-LLVKDONJSA-N 1 1 338.843 0.445 50 0 ECAAMO CNS(=O)(=O)CCCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000096424297 436533272 /nfs/dbraw/zinc/53/32/72/436533272.db2.gz LLPQEYWWIRSMDQ-CQSZACIVSA-N 1 1 326.466 0.700 50 0 ECAAMO CNS(=O)(=O)CCC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000096424297 436533274 /nfs/dbraw/zinc/53/32/74/436533274.db2.gz LLPQEYWWIRSMDQ-CQSZACIVSA-N 1 1 326.466 0.700 50 0 ECAAMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000097200908 436541768 /nfs/dbraw/zinc/54/17/68/436541768.db2.gz SCRQUVPHRHGFLD-CQSZACIVSA-N 1 1 343.431 0.721 50 0 ECAAMO Cc1nc2cc(C)ccn2c1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097805533 436544635 /nfs/dbraw/zinc/54/46/35/436544635.db2.gz MWHJPKCWXAEBBH-AWEZNQCLSA-N 1 1 343.431 0.878 50 0 ECAAMO CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC[NH+]2CC=CC2)c1 ZINC000101282442 436548705 /nfs/dbraw/zinc/54/87/05/436548705.db2.gz IHGSMJOONHNQIY-UHFFFAOYSA-N 1 1 337.445 0.895 50 0 ECAAMO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000058246730 436622069 /nfs/dbraw/zinc/62/20/69/436622069.db2.gz QETKPWKYSJASHN-UHFFFAOYSA-N 1 1 329.408 0.172 50 0 ECAAMO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000058343354 436624529 /nfs/dbraw/zinc/62/45/29/436624529.db2.gz DDSBXIMMEXQQSU-CQSZACIVSA-N 1 1 336.436 0.302 50 0 ECAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000106784100 436601860 /nfs/dbraw/zinc/60/18/60/436601860.db2.gz ZQLRFWBHQKQAAZ-CVEARBPZSA-N 1 1 347.463 0.831 50 0 ECAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000106784100 436601862 /nfs/dbraw/zinc/60/18/62/436601862.db2.gz ZQLRFWBHQKQAAZ-CVEARBPZSA-N 1 1 347.463 0.831 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C ZINC000106867983 436603737 /nfs/dbraw/zinc/60/37/37/436603737.db2.gz IBTAJOPBWPDSQF-KBPBESRZSA-N 1 1 346.431 0.359 50 0 ECAAMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000106931504 436606675 /nfs/dbraw/zinc/60/66/75/436606675.db2.gz WSOBLWCHWBVTQM-BZUAXINKSA-N 1 1 334.464 0.141 50 0 ECAAMO CC(C)(C)OC(=O)N1CCN(C[C@@H](O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000106931457 436606878 /nfs/dbraw/zinc/60/68/78/436606878.db2.gz UZZUUDHALJLWOT-LSDHHAIUSA-N 1 1 343.468 0.357 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000107140672 436608361 /nfs/dbraw/zinc/60/83/61/436608361.db2.gz MBQDEDYICZTASK-OCCSQVGLSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+]([C@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000107140672 436608364 /nfs/dbraw/zinc/60/83/64/436608364.db2.gz MBQDEDYICZTASK-OCCSQVGLSA-N 1 1 337.424 0.131 50 0 ECAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000107142630 436608598 /nfs/dbraw/zinc/60/85/98/436608598.db2.gz MMJICISBXYTVGY-GXSJLCMTSA-N 1 1 325.390 0.360 50 0 ECAAMO COCCC[C@]1(CO)CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000107649187 436613252 /nfs/dbraw/zinc/61/32/52/436613252.db2.gz ZMUXSTOLQMIGQU-GOSISDBHSA-N 1 1 341.496 0.652 50 0 ECAAMO C[N@H+]1CCN(c2nnnn2-c2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000108036249 436616248 /nfs/dbraw/zinc/61/62/48/436616248.db2.gz DGAVWWKVSJYPAZ-QGZVFWFLSA-N 1 1 341.419 0.453 50 0 ECAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH+](C)C ZINC000058116470 436620997 /nfs/dbraw/zinc/62/09/97/436620997.db2.gz NQAKGHQZKZQWAP-AWEZNQCLSA-N 1 1 330.388 0.822 50 0 ECAAMO Cc1nnc(SCCNC(=O)CN2CCC[N@H+](C)CC2)s1 ZINC000065376438 436655737 /nfs/dbraw/zinc/65/57/37/436655737.db2.gz NGZUQUVPHWHCBN-UHFFFAOYSA-N 1 1 329.495 0.692 50 0 ECAAMO CC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000065404071 436657852 /nfs/dbraw/zinc/65/78/52/436657852.db2.gz HADITGXXNAFZOW-CYBMUJFWSA-N 1 1 347.415 0.879 50 0 ECAAMO C[NH+]1CCN(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)CC1 ZINC000219901428 436697388 /nfs/dbraw/zinc/69/73/88/436697388.db2.gz PWMCKIKIZWXZKD-IAGOWNOFSA-N 1 1 349.431 0.672 50 0 ECAAMO Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(c1nc(N)cc[nH+]1)C2 ZINC000222741276 436703573 /nfs/dbraw/zinc/70/35/73/436703573.db2.gz NLJUVUOEWZEPLL-HNNXBMFYSA-N 1 1 340.391 0.481 50 0 ECAAMO NC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000194419154 436666535 /nfs/dbraw/zinc/66/65/35/436666535.db2.gz SDXCQFMXYPZBJQ-CVEARBPZSA-N 1 1 346.431 0.404 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000067819229 436724971 /nfs/dbraw/zinc/72/49/71/436724971.db2.gz MXXWZXJSMYVHLF-AWEZNQCLSA-N 1 1 333.436 0.775 50 0 ECAAMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000229825806 436716132 /nfs/dbraw/zinc/71/61/32/436716132.db2.gz LNCOBKUFCRINPP-KGLIPLIRSA-N 1 1 348.451 0.379 50 0 ECAAMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000229825806 436716138 /nfs/dbraw/zinc/71/61/38/436716138.db2.gz LNCOBKUFCRINPP-KGLIPLIRSA-N 1 1 348.451 0.379 50 0 ECAAMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)[nH]n1 ZINC000229830722 436717170 /nfs/dbraw/zinc/71/71/70/436717170.db2.gz QIAUAVJFJLUJAR-ZIAGYGMSSA-N 1 1 333.436 0.621 50 0 ECAAMO CNC(=O)NC(=O)CCC[N@H+]1CCCN(Cc2cc(C)on2)CC1 ZINC000069460642 436774256 /nfs/dbraw/zinc/77/42/56/436774256.db2.gz FMJFEIMMIXFTKK-UHFFFAOYSA-N 1 1 337.424 0.727 50 0 ECAAMO C[C@@H]([NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1F ZINC000069568529 436780565 /nfs/dbraw/zinc/78/05/65/436780565.db2.gz YRENMGGSWIZCOR-GFCCVEGCSA-N 1 1 343.424 0.580 50 0 ECAAMO Cc1[nH+]cn(CC(=O)N[C@H]2C[C@@H](c3cc(NCCO)ncn3)C2)c1C ZINC000252537303 436838085 /nfs/dbraw/zinc/83/80/85/436838085.db2.gz KXUDGVHIWQJRSQ-OKILXGFUSA-N 1 1 344.419 0.757 50 0 ECAAMO CCn1ncc(C[N@H+]2C[C@@H](CO)[C@H](c3nc(COC)no3)C2)c1C ZINC000257177493 436857059 /nfs/dbraw/zinc/85/70/59/436857059.db2.gz BECJOMMYCCYBRG-UONOGXRCSA-N 1 1 335.408 0.949 50 0 ECAAMO Cc1noc([C@@]23CN(C(=O)CCO)C[C@@H]2CC[N@H+](CC(C)C)C3)n1 ZINC000257190846 436858771 /nfs/dbraw/zinc/85/87/71/436858771.db2.gz NYTSSKBMDPCEDJ-YOEHRIQHSA-N 1 1 336.436 0.818 50 0 ECAAMO COc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)cc1 ZINC000257196189 436860338 /nfs/dbraw/zinc/86/03/38/436860338.db2.gz XTPPTJXRCFHFNW-WMLDXEAASA-N 1 1 342.399 0.708 50 0 ECAAMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)cc1 ZINC000257196189 436860340 /nfs/dbraw/zinc/86/03/40/436860340.db2.gz XTPPTJXRCFHFNW-WMLDXEAASA-N 1 1 342.399 0.708 50 0 ECAAMO Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 ZINC000257193688 436860370 /nfs/dbraw/zinc/86/03/70/436860370.db2.gz ZGGNYMUTDMUMJM-WMLDXEAASA-N 1 1 336.436 0.818 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000249698676 436825933 /nfs/dbraw/zinc/82/59/33/436825933.db2.gz WCBFRXDRKCQJLI-KBPBESRZSA-N 1 1 331.482 0.791 50 0 ECAAMO O=C(C[C@@H]1C[NH2+]CCO1)N1CCc2nc(-c3ccc(=O)[nH]c3)[nH]c2C1 ZINC000252509593 436835948 /nfs/dbraw/zinc/83/59/48/436835948.db2.gz YQWSOFOHOIFFDL-GFCCVEGCSA-N 1 1 343.387 0.441 50 0 ECAAMO COc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000252551335 436837555 /nfs/dbraw/zinc/83/75/55/436837555.db2.gz UCJFTVDAOOVLQK-CQSZACIVSA-N 1 1 340.445 0.915 50 0 ECAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ncc(S(N)(=O)=O)s1 ZINC000170615803 436947808 /nfs/dbraw/zinc/94/78/08/436947808.db2.gz KFGRSAZMAKQSEO-JTQLQIEISA-N 1 1 327.435 0.964 50 0 ECAAMO O=C(Cc1[nH]nc2ccccc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186601950 437477075 /nfs/dbraw/zinc/47/70/75/437477075.db2.gz OIQHFBFFTUWNBB-CYBMUJFWSA-N 1 1 341.415 0.528 50 0 ECAAMO CO[C@]12CCN(C(=O)Cn3cc[nH+]c3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426497335 438062636 /nfs/dbraw/zinc/06/26/36/438062636.db2.gz YCIMHKWUAKLZLM-YQQAZPJKSA-N 1 1 337.420 0.739 50 0 ECAAMO Cn1cnnc1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426552125 438066656 /nfs/dbraw/zinc/06/66/56/438066656.db2.gz ZGRUISKYMDLJRD-OAHLLOKOSA-N 1 1 328.420 0.924 50 0 ECAAMO Cn1cnnc1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426552125 438066658 /nfs/dbraw/zinc/06/66/58/438066658.db2.gz ZGRUISKYMDLJRD-OAHLLOKOSA-N 1 1 328.420 0.924 50 0 ECAAMO O=C(CCc1cnccn1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000426571373 438067573 /nfs/dbraw/zinc/06/75/73/438067573.db2.gz DHTHYWUQDSFGAK-UHFFFAOYSA-N 1 1 331.420 0.268 50 0 ECAAMO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000408525473 438582419 /nfs/dbraw/zinc/58/24/19/438582419.db2.gz BLGWYXFFRPDWJE-OLZOCXBDSA-N 1 1 329.393 0.956 50 0 ECAAMO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000408525473 438582420 /nfs/dbraw/zinc/58/24/20/438582420.db2.gz BLGWYXFFRPDWJE-OLZOCXBDSA-N 1 1 329.393 0.956 50 0 ECAAMO Cc1cn2nc(N[C@H]3CC[N@H+](C[C@@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522862 438582512 /nfs/dbraw/zinc/58/25/12/438582512.db2.gz DIVHRDHIMDZBME-WDEREUQCSA-N 1 1 329.326 1.447 50 0 ECAAMO Cc1cn2nc(N[C@H]3CC[N@@H+](C[C@@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522862 438582514 /nfs/dbraw/zinc/58/25/14/438582514.db2.gz DIVHRDHIMDZBME-WDEREUQCSA-N 1 1 329.326 1.447 50 0 ECAAMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000408521681 438582985 /nfs/dbraw/zinc/58/29/85/438582985.db2.gz SPOXPEVJZIPVNF-GPANFISMSA-N 1 1 331.416 0.755 50 0 ECAAMO CCN(Cc1nc(C)no1)C(=O)NCC[C@@H](C)N1CC[NH+](C)CC1 ZINC000534584171 439528990 /nfs/dbraw/zinc/52/89/90/439528990.db2.gz DWCKBGDOXIVXLD-CYBMUJFWSA-N 1 1 338.456 0.936 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000244715855 535635627 /nfs/dbraw/zinc/63/56/27/535635627.db2.gz LDPVNMKUGASPCB-HOTGVXAUSA-N 1 1 344.415 0.622 50 0 ECAAMO CC(C)[N@@H+](CCNC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 ZINC000076918403 545691081 /nfs/dbraw/zinc/69/10/81/545691081.db2.gz BUZSSPYKEFUFLL-UHFFFAOYSA-N 1 1 335.452 0.760 50 0 ECAAMO CC[C@H]1CN(C(=O)C2=NN(CC)C(=O)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735690 545712800 /nfs/dbraw/zinc/71/28/00/545712800.db2.gz TTWIZJDLVSYKRA-DZGCQCFKSA-N 1 1 336.436 0.554 50 0 ECAAMO CC[N@H+]1CC[C@H](N(C)C(=O)CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000329498484 546026068 /nfs/dbraw/zinc/02/60/68/546026068.db2.gz GUVXONYFSUIMHQ-GJZGRUSLSA-N 1 1 325.453 0.957 50 0 ECAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccnnc1 ZINC000670459199 548015513 /nfs/dbraw/zinc/01/55/13/548015513.db2.gz DBYUHAWBEYZIDH-IPCDKGFNSA-N 1 1 349.438 0.774 50 0 ECAAMO CCn1nncc1CN1C[C@H]2C[N@@H+](C)CC[C@@]2(c2nc(C)no2)C1 ZINC000685940343 549726947 /nfs/dbraw/zinc/72/69/47/549726947.db2.gz FHYCBBIILOIOEU-CZUORRHYSA-N 1 1 331.424 0.695 50 0 ECAAMO CNC(=O)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981114 612139723 /nfs/dbraw/zinc/13/97/23/612139723.db2.gz KIIYIVYJTLECSW-CQSZACIVSA-N 1 1 346.431 0.501 50 0 ECAAMO COc1cc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc(-n2cnnn2)c1 ZINC000952978115 612139928 /nfs/dbraw/zinc/13/99/28/612139928.db2.gz DNDJKHYKXWTKQS-GFCCVEGCSA-N 1 1 345.407 0.245 50 0 ECAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000051055643 214077349 /nfs/dbraw/zinc/07/73/49/214077349.db2.gz XYATYIRLZBTZDU-OLZOCXBDSA-N 1 1 326.441 0.849 50 0 ECAAMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000052134719 214119674 /nfs/dbraw/zinc/11/96/74/214119674.db2.gz SJWPLSALKLDGEV-KBPBESRZSA-N 1 1 330.454 0.038 50 0 ECAAMO COc1ccc(OC)c(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000055035918 214265946 /nfs/dbraw/zinc/26/59/46/214265946.db2.gz UZZLRSLLCMRNQJ-LBPRGKRZSA-N 1 1 335.404 0.517 50 0 ECAAMO CC(=O)N1CC[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C[C@@H](O)C1 ZINC000097775921 219057108 /nfs/dbraw/zinc/05/71/08/219057108.db2.gz NEPXGUDMSCPKMX-OAHLLOKOSA-N 1 1 329.400 0.862 50 0 ECAAMO CC(=O)N1CC[N@@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C[C@@H](O)C1 ZINC000097775921 219057111 /nfs/dbraw/zinc/05/71/11/219057111.db2.gz NEPXGUDMSCPKMX-OAHLLOKOSA-N 1 1 329.400 0.862 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004497932 210204578 /nfs/dbraw/zinc/20/45/78/210204578.db2.gz QORNHZPMSUWVLN-ZDUSSCGKSA-N 1 1 333.388 0.632 50 0 ECAAMO C[NH+]1CCN(CCCNc2c(=O)c(=O)c2NCc2ccncc2)CC1 ZINC000101699344 219157844 /nfs/dbraw/zinc/15/78/44/219157844.db2.gz RUFRUUDDSIZEBQ-UHFFFAOYSA-N 1 1 343.431 0.339 50 0 ECAAMO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccccc1)CC2 ZINC000067688835 215184519 /nfs/dbraw/zinc/18/45/19/215184519.db2.gz RCFJIFBOJOPPEE-UHFFFAOYSA-N 1 1 329.400 0.682 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccccc1)CC2 ZINC000067688835 215184522 /nfs/dbraw/zinc/18/45/22/215184522.db2.gz RCFJIFBOJOPPEE-UHFFFAOYSA-N 1 1 329.400 0.682 50 0 ECAAMO C[N@@H+](CCO)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000067855631 215232779 /nfs/dbraw/zinc/23/27/79/215232779.db2.gz YMHSGZDTRDVQGU-INIZCTEOSA-N 1 1 328.359 0.742 50 0 ECAAMO CCCC(=O)N1CCC([N@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000067982605 215266915 /nfs/dbraw/zinc/26/69/15/215266915.db2.gz RPIVTMZADMDETJ-CYBMUJFWSA-N 1 1 331.482 0.649 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040534845 213339647 /nfs/dbraw/zinc/33/96/47/213339647.db2.gz KMCLTSUOBJRTCF-LSDHHAIUSA-N 1 1 327.388 0.535 50 0 ECAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072158868 216048154 /nfs/dbraw/zinc/04/81/54/216048154.db2.gz BMVPVPSMYIRQEL-OAHLLOKOSA-N 1 1 334.420 0.150 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)CC1 ZINC000022864920 212330454 /nfs/dbraw/zinc/33/04/54/212330454.db2.gz CNRHCEYGEACYHN-UHFFFAOYSA-N 1 1 348.447 0.327 50 0 ECAAMO O=C(c1nc[nH]n1)N1CC[NH+](C[C@@]2(c3ccccc3)CCOC2)CC1 ZINC000215161753 241109600 /nfs/dbraw/zinc/10/96/00/241109600.db2.gz HYIZYTYDLTUZRE-SFHVURJKSA-N 1 1 341.415 0.921 50 0 ECAAMO CC(C)Nc1ncc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC000215453779 241125685 /nfs/dbraw/zinc/12/56/85/241125685.db2.gz JHSBULBZKSCFOR-UHFFFAOYSA-N 1 1 334.468 0.893 50 0 ECAAMO CC(C)Nc1ncc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cn1 ZINC000215453779 241125690 /nfs/dbraw/zinc/12/56/90/241125690.db2.gz JHSBULBZKSCFOR-UHFFFAOYSA-N 1 1 334.468 0.893 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000229551017 242174376 /nfs/dbraw/zinc/17/43/76/242174376.db2.gz WVKOWKMVSALZLI-GDBMZVCRSA-N 1 1 348.451 0.069 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCn1c2ccccc2[nH]c1=O ZINC000244715963 243067174 /nfs/dbraw/zinc/06/71/74/243067174.db2.gz LFVGMTFGNHBMLN-HOCLYGCPSA-N 1 1 346.431 0.944 50 0 ECAAMO O=C(CC[NH+]1CCN(c2ncc[nH]c2=O)CC1)Nc1nccs1 ZINC000253537043 244017128 /nfs/dbraw/zinc/01/71/28/244017128.db2.gz VDXXSNDIEXTXHB-UHFFFAOYSA-N 1 1 334.405 0.790 50 0 ECAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000020412111 212127390 /nfs/dbraw/zinc/12/73/90/212127390.db2.gz CXYWWVCEGJQTQT-AWEZNQCLSA-N 1 1 330.388 0.415 50 0 ECAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000019796964 212068786 /nfs/dbraw/zinc/06/87/86/212068786.db2.gz JMICWGRQLBFKCD-KBPBESRZSA-N 1 1 331.459 0.934 50 0 ECAAMO C[C@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000078557443 217077783 /nfs/dbraw/zinc/07/77/83/217077783.db2.gz GYRPBTWOLCMGPT-HOCLYGCPSA-N 1 1 336.480 0.339 50 0 ECAAMO O=C(CCCn1cc(Br)cn1)N1CC[NH+](CCO)CC1 ZINC000078702706 217103815 /nfs/dbraw/zinc/10/38/15/217103815.db2.gz ZCNFVSWQWFRELH-UHFFFAOYSA-N 1 1 345.241 0.562 50 0 ECAAMO O=C(CNC(=O)c1cnccn1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191067 217200551 /nfs/dbraw/zinc/20/05/51/217200551.db2.gz RCWIYMUZSJKOHD-DZGCQCFKSA-N 1 1 331.420 0.587 50 0 ECAAMO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000083927541 217563561 /nfs/dbraw/zinc/56/35/61/217563561.db2.gz VHWYJADKGSVDTJ-GFCCVEGCSA-N 1 1 331.376 0.480 50 0 ECAAMO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1cccs1 ZINC000012391982 211368097 /nfs/dbraw/zinc/36/80/97/211368097.db2.gz WAHRQWIOTVAUNZ-RYUDHWBXSA-N 1 1 337.401 0.787 50 0 ECAAMO CCN(CC)C(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)nn1 ZINC000011998697 211278493 /nfs/dbraw/zinc/27/84/93/211278493.db2.gz NOHQEFVDTKUCAG-ZDUSSCGKSA-N 1 1 336.440 0.361 50 0 ECAAMO COc1ccc(C)cc1C(=O)N[C@H]1C[N@H+](C(CO)CO)C[C@@H]1C1CC1 ZINC000091620446 218032005 /nfs/dbraw/zinc/03/20/05/218032005.db2.gz MLCPPGSXCUGPKK-SJORKVTESA-N 1 1 348.443 0.797 50 0 ECAAMO O=C(c1ccc(F)c(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091563033 218022492 /nfs/dbraw/zinc/02/24/92/218022492.db2.gz UQHIIQRSFQMJCW-ZIAGYGMSSA-N 1 1 340.370 0.978 50 0 ECAAMO O=C(CCc1cc2n(n1)CCC[N@H+](C1CCOCC1)C2)NCCO ZINC000091574670 218023892 /nfs/dbraw/zinc/02/38/92/218023892.db2.gz CTXOMRDYGGGSDX-UHFFFAOYSA-N 1 1 336.436 0.309 50 0 ECAAMO COc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000091586957 218025701 /nfs/dbraw/zinc/02/57/01/218025701.db2.gz WEOAOIQNYWJXOG-CABCVRRESA-N 1 1 349.431 0.493 50 0 ECAAMO O=C(CCC[NH+]1CCCCC1)N1CCNC(=O)[C@@H]1Cc1cnc[nH]1 ZINC000091820058 218071401 /nfs/dbraw/zinc/07/14/01/218071401.db2.gz URBUJGAELNNOGP-HNNXBMFYSA-N 1 1 333.436 0.545 50 0 ECAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(C)n1 ZINC000091782305 218065178 /nfs/dbraw/zinc/06/51/78/218065178.db2.gz LYNLCHCZBVUWCZ-QGZVFWFLSA-N 1 1 331.420 0.520 50 0 ECAAMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[N@H+](C2CCCCC2)C[C@@H]1C1CC1 ZINC000091847705 218075892 /nfs/dbraw/zinc/07/58/92/218075892.db2.gz ZHSCVMVUXSTNTR-CABCVRRESA-N 1 1 348.447 0.698 50 0 ECAAMO Cn1nc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1=O ZINC000095954280 218461949 /nfs/dbraw/zinc/46/19/49/218461949.db2.gz GFOVKNFGYOYVQE-UHFFFAOYSA-N 1 1 342.399 0.543 50 0 ECAAMO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc2c(c1)ncn2CCO ZINC000097413212 219022864 /nfs/dbraw/zinc/02/28/64/219022864.db2.gz AZANCKSMLLJNMW-HNNXBMFYSA-N 1 1 346.431 0.605 50 0 ECAAMO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc2c(c1)ncn2CCO ZINC000097413211 219022875 /nfs/dbraw/zinc/02/28/75/219022875.db2.gz AZANCKSMLLJNMW-OAHLLOKOSA-N 1 1 346.431 0.605 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)CSc3ccccc3)C[C@@H]2O)CC1 ZINC000299796646 258101040 /nfs/dbraw/zinc/10/10/40/258101040.db2.gz RPRUPQZEQRFZAU-HOTGVXAUSA-N 1 1 335.473 0.598 50 0 ECAAMO C[C@@H]1C[N@H+](CCC(=O)N2CCc3c(c(CO)nn3C)C2)C[C@H](C)O1 ZINC000299756517 258075140 /nfs/dbraw/zinc/07/51/40/258075140.db2.gz DHSXZARYCRUJON-BETUJISGSA-N 1 1 336.436 0.296 50 0 ECAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)N3CCCC3)cc2C1 ZINC000299760569 258078043 /nfs/dbraw/zinc/07/80/43/258078043.db2.gz HYCVYFCYZVZCMI-UHFFFAOYSA-N 1 1 341.481 0.929 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](Nc2cnc3ccccc3n2)[C@H](O)C1 ZINC000299764771 258080447 /nfs/dbraw/zinc/08/04/47/258080447.db2.gz LDDJMJCZMWSXHV-HUUCEWRRSA-N 1 1 329.404 0.565 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](Nc2cnc3ccccc3n2)[C@H](O)C1 ZINC000299764771 258080449 /nfs/dbraw/zinc/08/04/49/258080449.db2.gz LDDJMJCZMWSXHV-HUUCEWRRSA-N 1 1 329.404 0.565 50 0 ECAAMO OCCOc1ccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299765552 258081023 /nfs/dbraw/zinc/08/10/23/258081023.db2.gz OEOJLEWKMIBSOU-IRXDYDNUSA-N 1 1 330.388 0.995 50 0 ECAAMO CCN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072157188 276132473 /nfs/dbraw/zinc/13/24/73/276132473.db2.gz NIUAJANBTXAPNL-MRXNPFEDSA-N 1 1 333.432 0.260 50 0 ECAAMO CCN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072157188 276132475 /nfs/dbraw/zinc/13/24/75/276132475.db2.gz NIUAJANBTXAPNL-MRXNPFEDSA-N 1 1 333.432 0.260 50 0 ECAAMO O=C(CCCn1cncn1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069738502 435961059 /nfs/dbraw/zinc/96/10/59/435961059.db2.gz HLGDCOCAIGAVSI-QGZVFWFLSA-N 1 1 343.431 0.936 50 0 ECAAMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000069741398 435961206 /nfs/dbraw/zinc/96/12/06/435961206.db2.gz NRLXLIVFLBSAFS-GOEBONIOSA-N 1 1 333.432 0.625 50 0 ECAAMO C[C@H](Cn1cccn1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000069738501 435962540 /nfs/dbraw/zinc/96/25/40/435962540.db2.gz KJHVAZUEVLFDQV-OAHLLOKOSA-N 1 1 330.436 0.987 50 0 ECAAMO C[C@H](Cn1cccn1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000069738501 435962545 /nfs/dbraw/zinc/96/25/45/435962545.db2.gz KJHVAZUEVLFDQV-OAHLLOKOSA-N 1 1 330.436 0.987 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000069778258 435965389 /nfs/dbraw/zinc/96/53/89/435965389.db2.gz IACTVDIIGXXYAA-GFCCVEGCSA-N 1 1 330.388 0.452 50 0 ECAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000069846523 435971286 /nfs/dbraw/zinc/97/12/86/435971286.db2.gz QZMNRTQMQSVXNT-GJZGRUSLSA-N 1 1 343.493 0.192 50 0 ECAAMO O=C(CC[N@@H+]1CCO[C@@H](Cn2cncn2)C1)N1CCc2ccccc21 ZINC000069976399 435978933 /nfs/dbraw/zinc/97/89/33/435978933.db2.gz XIFXKDFGNUPIQQ-MRXNPFEDSA-N 1 1 341.415 0.958 50 0 ECAAMO O=C(CC[N@H+]1CCO[C@@H](Cn2cncn2)C1)N1CCc2ccccc21 ZINC000069976399 435978936 /nfs/dbraw/zinc/97/89/36/435978936.db2.gz XIFXKDFGNUPIQQ-MRXNPFEDSA-N 1 1 341.415 0.958 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000069951575 435979454 /nfs/dbraw/zinc/97/94/54/435979454.db2.gz MFUDUEMZZJJKNB-AWEZNQCLSA-N 1 1 347.415 0.900 50 0 ECAAMO C[NH+]1CCN(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000005194213 435986580 /nfs/dbraw/zinc/98/65/80/435986580.db2.gz PJLOAZVXIZKGAO-CYBMUJFWSA-N 1 1 335.383 0.393 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000069652281 435954652 /nfs/dbraw/zinc/95/46/52/435954652.db2.gz URJNAQPBQCLAQX-HNNXBMFYSA-N 1 1 335.448 0.352 50 0 ECAAMO COCC[NH+]1CCN(Cc2nnnn2-c2cc(C)ccc2F)CC1 ZINC000069628020 435955328 /nfs/dbraw/zinc/95/53/28/435955328.db2.gz FUSLQIKOPONAMX-UHFFFAOYSA-N 1 1 334.399 0.874 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000069667914 435956258 /nfs/dbraw/zinc/95/62/58/435956258.db2.gz HXQAFJWBAJPOBU-CVEARBPZSA-N 1 1 341.415 0.877 50 0 ECAAMO Cc1ccnc(SCc2cc(=O)[nH]c(N3CC[NH+](C)CC3)n2)n1 ZINC000012389883 436052458 /nfs/dbraw/zinc/05/24/58/436052458.db2.gz QESKKJMUQVHERR-UHFFFAOYSA-N 1 1 332.433 0.912 50 0 ECAAMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCCN1c1cccnn1 ZINC000071860034 436018607 /nfs/dbraw/zinc/01/86/07/436018607.db2.gz GFURMOPRCSPIAW-ZDUSSCGKSA-N 1 1 346.435 0.708 50 0 ECAAMO C[C@@H]1Oc2c(cccc2C(=O)N2CC[NH+](CC(C)(C)O)CC2)NC1=O ZINC000071881851 436024045 /nfs/dbraw/zinc/02/40/45/436024045.db2.gz OFIGVYHLZQSNBE-LBPRGKRZSA-N 1 1 347.415 0.935 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2C[N@H+](CCC(=O)N3CCCCC3)CCO2)n1 ZINC000072253493 436037008 /nfs/dbraw/zinc/03/70/08/436037008.db2.gz QJPCFJWYKQELIV-INIZCTEOSA-N 1 1 335.452 0.998 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCC(=O)N3CCCCC3)CCO2)n1 ZINC000072253493 436037012 /nfs/dbraw/zinc/03/70/12/436037012.db2.gz QJPCFJWYKQELIV-INIZCTEOSA-N 1 1 335.452 0.998 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300759 436042257 /nfs/dbraw/zinc/04/22/57/436042257.db2.gz ATFXHVDDRKJJNX-SJKOYZFVSA-N 1 1 348.403 0.548 50 0 ECAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000072300153 436043519 /nfs/dbraw/zinc/04/35/19/436043519.db2.gz POYFYPVOWNMBJQ-UKRRQHHQSA-N 1 1 331.482 0.901 50 0 ECAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000018148703 436102142 /nfs/dbraw/zinc/10/21/42/436102142.db2.gz IRFIEDFDGHQUJP-CQSZACIVSA-N 1 1 331.372 0.524 50 0 ECAAMO COc1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1 ZINC000013690056 436066039 /nfs/dbraw/zinc/06/60/39/436066039.db2.gz SHEHCLDVHGKMDR-AWEZNQCLSA-N 1 1 345.403 0.126 50 0 ECAAMO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCCCCC2)c(=O)n(C)c1=O ZINC000014141995 436070593 /nfs/dbraw/zinc/07/05/93/436070593.db2.gz CYIXTRYHSITYKI-UHFFFAOYSA-N 1 1 336.436 0.844 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000075121882 436152002 /nfs/dbraw/zinc/15/20/02/436152002.db2.gz OUWFUBLWYMGTBK-ZDUSSCGKSA-N 1 1 341.415 0.893 50 0 ECAAMO COCC[N@@H+](C)CCC(=O)N1CCN(c2nc(C)cnc2C)CC1 ZINC000020586499 436110702 /nfs/dbraw/zinc/11/07/02/436110702.db2.gz FSJZHVZHUMVNJV-UHFFFAOYSA-N 1 1 335.452 0.710 50 0 ECAAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ncnc3c2cnn3C)CC1 ZINC000026706242 436166763 /nfs/dbraw/zinc/16/67/63/436166763.db2.gz IYDWEGIJFJLRFX-UHFFFAOYSA-N 1 1 331.424 0.400 50 0 ECAAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ncnc3c2cnn3C)CC1 ZINC000026706242 436166769 /nfs/dbraw/zinc/16/67/69/436166769.db2.gz IYDWEGIJFJLRFX-UHFFFAOYSA-N 1 1 331.424 0.400 50 0 ECAAMO CCCCn1nnnc1CN1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055203 436189951 /nfs/dbraw/zinc/18/99/51/436189951.db2.gz RQVYEBXBPIIYFM-GOEBONIOSA-N 1 1 349.483 0.458 50 0 ECAAMO Cc1nnc2ccc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)nn12 ZINC000031808906 436233203 /nfs/dbraw/zinc/23/32/03/436233203.db2.gz MVFPRZQOYPWHEL-UHFFFAOYSA-N 1 1 343.435 0.423 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2cccnc2N2CCOCC2)CC1 ZINC000041999350 436291264 /nfs/dbraw/zinc/29/12/64/436291264.db2.gz UWNBLICXPWDPQU-UHFFFAOYSA-N 1 1 347.463 0.286 50 0 ECAAMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000042287293 436301326 /nfs/dbraw/zinc/30/13/26/436301326.db2.gz IHEVMKZOUJRVQA-GJZGRUSLSA-N 1 1 335.448 0.871 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000042394120 436302354 /nfs/dbraw/zinc/30/23/54/436302354.db2.gz ZEUFBZGXENEXEF-XJKSGUPXSA-N 1 1 334.420 0.754 50 0 ECAAMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000042722587 436313597 /nfs/dbraw/zinc/31/35/97/436313597.db2.gz MCBMZSPUMXHLER-LBPRGKRZSA-N 1 1 336.417 0.381 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)o1 ZINC000044918015 436353412 /nfs/dbraw/zinc/35/34/12/436353412.db2.gz FEGGUWNLUDOFLY-UHFFFAOYSA-N 1 1 329.422 0.602 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000045056785 436360757 /nfs/dbraw/zinc/36/07/57/436360757.db2.gz OGVWYLWMGHESRB-UHFFFAOYSA-N 1 1 329.360 0.416 50 0 ECAAMO COc1ccc2nnc(C(=O)NCCC[NH+]3CCOCC3)nc2c1 ZINC000046088303 436385350 /nfs/dbraw/zinc/38/53/50/436385350.db2.gz PGWMTOLSPQYUBX-UHFFFAOYSA-N 1 1 331.376 0.486 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000085469705 436388882 /nfs/dbraw/zinc/38/88/82/436388882.db2.gz BLLHUYARVRNXGY-OAHLLOKOSA-N 1 1 345.403 0.032 50 0 ECAAMO COc1ccc(C(=O)N2CCOC[C@H]2C[N@@H+](C)CCO)cc1OC ZINC000085469831 436390207 /nfs/dbraw/zinc/39/02/07/436390207.db2.gz VTXZMFLDUBVJJY-CQSZACIVSA-N 1 1 338.404 0.469 50 0 ECAAMO C[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044967890 436356674 /nfs/dbraw/zinc/35/66/74/436356674.db2.gz MWXRRCCIXQTJMS-OAHLLOKOSA-N 1 1 348.451 0.419 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000048261900 436446292 /nfs/dbraw/zinc/44/62/92/436446292.db2.gz SKQXFNYSVRRSMV-UHFFFAOYSA-N 1 1 343.391 0.339 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCSCC1 ZINC000048275485 436447004 /nfs/dbraw/zinc/44/70/04/436447004.db2.gz AYPCVPGMZYRBPI-UONOGXRCSA-N 1 1 329.466 0.482 50 0 ECAAMO CCCCNC(=O)N1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091289098 436448586 /nfs/dbraw/zinc/44/85/86/436448586.db2.gz SUVSNZLNXPPWCK-HZPDHXFCSA-N 1 1 326.485 0.674 50 0 ECAAMO CCCCNC(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091289098 436448588 /nfs/dbraw/zinc/44/85/88/436448588.db2.gz SUVSNZLNXPPWCK-HZPDHXFCSA-N 1 1 326.485 0.674 50 0 ECAAMO CCCCNC(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091289098 436448592 /nfs/dbraw/zinc/44/85/92/436448592.db2.gz SUVSNZLNXPPWCK-HZPDHXFCSA-N 1 1 326.485 0.674 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000048304055 436449896 /nfs/dbraw/zinc/44/98/96/436449896.db2.gz SIVKYCHPZHUNTJ-AWEZNQCLSA-N 1 1 332.404 0.239 50 0 ECAAMO COCCn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000091643549 436456369 /nfs/dbraw/zinc/45/63/69/436456369.db2.gz IPJAKGDDXQSEMH-OAHLLOKOSA-N 1 1 336.436 0.568 50 0 ECAAMO CC(=O)N1CC[NH+]([C@@H]2CN(CC(=O)Nc3cc(C)on3)C[C@@H]2C)CC1 ZINC000089605205 436413609 /nfs/dbraw/zinc/41/36/09/436413609.db2.gz VIWWIEDNTZKQNT-SWLSCSKDSA-N 1 1 349.435 0.406 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C2)no1 ZINC000089718284 436415933 /nfs/dbraw/zinc/41/59/33/436415933.db2.gz MZLQVHPWDDMXBG-UONOGXRCSA-N 1 1 337.424 0.037 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C2)no1 ZINC000089718284 436415936 /nfs/dbraw/zinc/41/59/36/436415936.db2.gz MZLQVHPWDDMXBG-UONOGXRCSA-N 1 1 337.424 0.037 50 0 ECAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000089885234 436420176 /nfs/dbraw/zinc/42/01/76/436420176.db2.gz ANGFPIGGQJAVLF-UHFFFAOYSA-N 1 1 347.463 0.941 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000089937908 436421274 /nfs/dbraw/zinc/42/12/74/436421274.db2.gz MYJUBHFCMMTHGT-CYBMUJFWSA-N 1 1 336.436 0.794 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000089937908 436421276 /nfs/dbraw/zinc/42/12/76/436421276.db2.gz MYJUBHFCMMTHGT-CYBMUJFWSA-N 1 1 336.436 0.794 50 0 ECAAMO CCOC(=O)C(C(=O)OCC)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000089978055 436425838 /nfs/dbraw/zinc/42/58/38/436425838.db2.gz GHYDYIFLGUOHCF-CYBMUJFWSA-N 1 1 342.436 0.666 50 0 ECAAMO CCn1nc(-c2ccc(C(N)=O)cc2)nc1CC[NH+]1CCN(C)CC1 ZINC000096131746 436516251 /nfs/dbraw/zinc/51/62/51/436516251.db2.gz ZVGRZDBCRLNWLS-UHFFFAOYSA-N 1 1 342.447 0.854 50 0 ECAAMO CNC(=O)NC(=O)CN[C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000095462590 436496903 /nfs/dbraw/zinc/49/69/03/436496903.db2.gz YFKRKVPWHGEMOV-OAHLLOKOSA-N 1 1 336.436 0.741 50 0 ECAAMO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000095522241 436498518 /nfs/dbraw/zinc/49/85/18/436498518.db2.gz WQNQGOCETBPJJY-SNVBAGLBSA-N 1 1 326.364 0.419 50 0 ECAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC000095522992 436498990 /nfs/dbraw/zinc/49/89/90/436498990.db2.gz NTWRSQCWHNOTDP-CQSZACIVSA-N 1 1 333.436 0.816 50 0 ECAAMO C[C@H](c1ccccn1)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000095992683 436503001 /nfs/dbraw/zinc/50/30/01/436503001.db2.gz XCPUCJGKDFYWRO-GFCCVEGCSA-N 1 1 342.403 0.522 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2ccccc2OCc2nnnn2C)CC1 ZINC000096101382 436512625 /nfs/dbraw/zinc/51/26/25/436512625.db2.gz JRSUQPTXBJXAHW-UHFFFAOYSA-N 1 1 330.392 0.567 50 0 ECAAMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1cccn1 ZINC000096410226 436532453 /nfs/dbraw/zinc/53/24/53/436532453.db2.gz HMKYNEPAMWWRSE-HNNXBMFYSA-N 1 1 328.420 0.605 50 0 ECAAMO Cc1cccc(N2CCC(NC(=O)c3ccc(=O)n(C)n3)CC2)[nH+]1 ZINC000096408197 436532654 /nfs/dbraw/zinc/53/26/54/436532654.db2.gz SFYTYGLCYAUOHY-UHFFFAOYSA-N 1 1 327.388 0.883 50 0 ECAAMO CNc1ccnc(N2CC[N@H+](Cc3cccnc3N)C[C@H](O)C2)n1 ZINC000097117585 436538162 /nfs/dbraw/zinc/53/81/62/436538162.db2.gz FAFAZWZMOGCTAI-ZDUSSCGKSA-N 1 1 329.408 0.179 50 0 ECAAMO CNc1ccnc(N2CC[N@@H+](Cc3cccnc3N)C[C@H](O)C2)n1 ZINC000097117585 436538167 /nfs/dbraw/zinc/53/81/67/436538167.db2.gz FAFAZWZMOGCTAI-ZDUSSCGKSA-N 1 1 329.408 0.179 50 0 ECAAMO CN(C)c1ncnc2c1C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000097200417 436542310 /nfs/dbraw/zinc/54/23/10/436542310.db2.gz WFWOAGFWRHIQRC-KGLIPLIRSA-N 1 1 336.436 0.457 50 0 ECAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000097200417 436542312 /nfs/dbraw/zinc/54/23/12/436542312.db2.gz WFWOAGFWRHIQRC-KGLIPLIRSA-N 1 1 336.436 0.457 50 0 ECAAMO COc1ccc(CC[NH+]2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000058283051 436623100 /nfs/dbraw/zinc/62/31/00/436623100.db2.gz RXKWATOVZUBDCO-ZDUSSCGKSA-N 1 1 334.420 0.439 50 0 ECAAMO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106057195 436589695 /nfs/dbraw/zinc/58/96/95/436589695.db2.gz YKRPKJQLFKQLRL-MGPQQGTHSA-N 1 1 347.419 0.110 50 0 ECAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000106784757 436601287 /nfs/dbraw/zinc/60/12/87/436601287.db2.gz VZYFXAUEDHRFSA-CVEARBPZSA-N 1 1 347.463 0.749 50 0 ECAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000106784757 436601290 /nfs/dbraw/zinc/60/12/90/436601290.db2.gz VZYFXAUEDHRFSA-CVEARBPZSA-N 1 1 347.463 0.749 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C2)o1 ZINC000107354097 436612347 /nfs/dbraw/zinc/61/23/47/436612347.db2.gz SZFXODIMRAHNGZ-CABCVRRESA-N 1 1 336.436 0.642 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C2)o1 ZINC000107354097 436612349 /nfs/dbraw/zinc/61/23/49/436612349.db2.gz SZFXODIMRAHNGZ-CABCVRRESA-N 1 1 336.436 0.642 50 0 ECAAMO Cn1nnnc1SCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063882716 436647398 /nfs/dbraw/zinc/64/73/98/436647398.db2.gz ZHEPDSUWSOMTNB-TZMCWYRMSA-N 1 1 326.470 0.271 50 0 ECAAMO Cn1nnnc1SCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063882716 436647399 /nfs/dbraw/zinc/64/73/99/436647399.db2.gz ZHEPDSUWSOMTNB-TZMCWYRMSA-N 1 1 326.470 0.271 50 0 ECAAMO Cc1[nH+]ccn1CCNC(=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000223345072 436704451 /nfs/dbraw/zinc/70/44/51/436704451.db2.gz SKTHQUANKRUYPF-CYBMUJFWSA-N 1 1 334.401 0.211 50 0 ECAAMO CSC1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000195132596 436678771 /nfs/dbraw/zinc/67/87/71/436678771.db2.gz CZXIQQRCQBTFKS-ZDUSSCGKSA-N 1 1 340.493 0.830 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1C ZINC000240423769 436757428 /nfs/dbraw/zinc/75/74/28/436757428.db2.gz FQSBITNOBKOSRG-CABCVRRESA-N 1 1 337.439 0.871 50 0 ECAAMO CCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cn1 ZINC000240936859 436759946 /nfs/dbraw/zinc/75/99/46/436759946.db2.gz SFBFQDIZEWEWAB-HZPDHXFCSA-N 1 1 341.415 0.799 50 0 ECAAMO CCc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cn1 ZINC000240936859 436759948 /nfs/dbraw/zinc/75/99/48/436759948.db2.gz SFBFQDIZEWEWAB-HZPDHXFCSA-N 1 1 341.415 0.799 50 0 ECAAMO CCOC(=O)[C@@H](C)NC(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067605419 436717453 /nfs/dbraw/zinc/71/74/53/436717453.db2.gz FAXJYTFAVMBZDU-CYBMUJFWSA-N 1 1 326.441 0.359 50 0 ECAAMO CCOC(=O)[C@@H](C)NC(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067605419 436717455 /nfs/dbraw/zinc/71/74/55/436717455.db2.gz FAXJYTFAVMBZDU-CYBMUJFWSA-N 1 1 326.441 0.359 50 0 ECAAMO CCOC(=O)[C@@H](C)NC(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067605419 436717458 /nfs/dbraw/zinc/71/74/58/436717458.db2.gz FAXJYTFAVMBZDU-CYBMUJFWSA-N 1 1 326.441 0.359 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000248831276 436810540 /nfs/dbraw/zinc/81/05/40/436810540.db2.gz HKSSDGQWZYHQRF-CHWSQXEVSA-N 1 1 342.465 0.889 50 0 ECAAMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279784307 436840139 /nfs/dbraw/zinc/84/01/39/436840139.db2.gz HSAHDKIYRZGSSP-WBVHZDCISA-N 1 1 345.443 0.872 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417134 436843500 /nfs/dbraw/zinc/84/35/00/436843500.db2.gz UYVQUWXHIAJUBN-CZUORRHYSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417134 436843503 /nfs/dbraw/zinc/84/35/03/436843503.db2.gz UYVQUWXHIAJUBN-CZUORRHYSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@@H]2CC[N@@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417134 436843506 /nfs/dbraw/zinc/84/35/06/436843506.db2.gz UYVQUWXHIAJUBN-CZUORRHYSA-N 1 1 339.461 0.739 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000253431392 436846482 /nfs/dbraw/zinc/84/64/82/436846482.db2.gz PYVOJTZPHURCSO-GDBMZVCRSA-N 1 1 346.431 0.267 50 0 ECAAMO COc1ccc(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257185513 436856428 /nfs/dbraw/zinc/85/64/28/436856428.db2.gz JNSMNTIKKXUSRH-ZBFHGGJFSA-N 1 1 347.415 0.220 50 0 ECAAMO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000257181669 436857686 /nfs/dbraw/zinc/85/76/86/436857686.db2.gz FVKRWHHCDQEUNY-GOEBONIOSA-N 1 1 329.404 0.644 50 0 ECAAMO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000257181669 436857687 /nfs/dbraw/zinc/85/76/87/436857687.db2.gz FVKRWHHCDQEUNY-GOEBONIOSA-N 1 1 329.404 0.644 50 0 ECAAMO CCN1CCC([N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)CC1 ZINC000257189649 436857831 /nfs/dbraw/zinc/85/78/31/436857831.db2.gz JMLXPGHIESLBLK-DOTOQJQBSA-N 1 1 332.448 0.588 50 0 ECAAMO CCN1CCC([N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)CC1 ZINC000257189649 436857834 /nfs/dbraw/zinc/85/78/34/436857834.db2.gz JMLXPGHIESLBLK-DOTOQJQBSA-N 1 1 332.448 0.588 50 0 ECAAMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257193372 436858484 /nfs/dbraw/zinc/85/84/84/436858484.db2.gz YFPYYZSVHSFYQS-DOTOQJQBSA-N 1 1 328.416 0.951 50 0 ECAAMO Cc1cccc(OCC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)c1 ZINC000257195283 436859288 /nfs/dbraw/zinc/85/92/88/436859288.db2.gz VTOGWHKCUUALBH-MAUKXSAKSA-N 1 1 348.443 0.962 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000252463382 436832087 /nfs/dbraw/zinc/83/20/87/436832087.db2.gz GGEHXMHTYHJTDE-ZIAGYGMSSA-N 1 1 347.481 0.077 50 0 ECAAMO CCc1c(C)nn(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c1C ZINC000252485126 436834078 /nfs/dbraw/zinc/83/40/78/436834078.db2.gz GNWMEHAAVAQPJL-INIZCTEOSA-N 1 1 349.479 0.777 50 0 ECAAMO CCc1c(C)nn(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000252485126 436834082 /nfs/dbraw/zinc/83/40/82/436834082.db2.gz GNWMEHAAVAQPJL-INIZCTEOSA-N 1 1 349.479 0.777 50 0 ECAAMO CCCc1nc(C)cc(N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000426474402 438060769 /nfs/dbraw/zinc/06/07/69/438060769.db2.gz UJYCEHOCCYWSOS-ZIAGYGMSSA-N 1 1 335.452 0.673 50 0 ECAAMO CCCc1nc(C)cc(N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000426474402 438060773 /nfs/dbraw/zinc/06/07/73/438060773.db2.gz UJYCEHOCCYWSOS-ZIAGYGMSSA-N 1 1 335.452 0.673 50 0 ECAAMO CN1C[C@H](NC(=O)c2ccc(Cl)cc2OCCC[NH3+])C[C@H]1CO ZINC000426533853 438065359 /nfs/dbraw/zinc/06/53/59/438065359.db2.gz AUBZCRWJZDFPNE-OLZOCXBDSA-N 1 1 341.839 0.862 50 0 ECAAMO CO[C@]12CC[N@@H+](Cc3cnc(N4CCOCC4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000426535595 438066462 /nfs/dbraw/zinc/06/64/62/438066462.db2.gz BWPLUJFVJCGYDA-XYJFISCASA-N 1 1 348.447 0.818 50 0 ECAAMO Cc1[nH]nc2c1CN(c1cc([C@H]3CCOC3)[nH+]c(NCCO)n1)CC2 ZINC000426578521 438067531 /nfs/dbraw/zinc/06/75/31/438067531.db2.gz BLARLDVWMRCFDX-LBPRGKRZSA-N 1 1 344.419 0.979 50 0 ECAAMO Cc1cc(C)nc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)n1 ZINC000426727558 438074591 /nfs/dbraw/zinc/07/45/91/438074591.db2.gz WJAFHWWDIJEWAJ-ZDUSSCGKSA-N 1 1 344.419 0.247 50 0 ECAAMO COCC(=O)NC[C@@]1(NC(=O)COC)CC[N@@H+](Cc2ccccc2)C1 ZINC000408516102 438581238 /nfs/dbraw/zinc/58/12/38/438581238.db2.gz OEKQWFBTJZTXMT-SFHVURJKSA-N 1 1 349.431 0.156 50 0 ECAAMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000408520356 438581855 /nfs/dbraw/zinc/58/18/55/438581855.db2.gz AQGUSNCQCYDEHG-CHWSQXEVSA-N 1 1 327.425 0.521 50 0 ECAAMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000408520356 438581857 /nfs/dbraw/zinc/58/18/57/438581857.db2.gz AQGUSNCQCYDEHG-CHWSQXEVSA-N 1 1 327.425 0.521 50 0 ECAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)c2nc3ccccc3[nH]2)CC1 ZINC000534675283 439533185 /nfs/dbraw/zinc/53/31/85/439533185.db2.gz ABGGJLIZRRWUIO-GJZGRUSLSA-N 1 1 329.404 0.308 50 0 ECAAMO Cc1ccccc1N(CC(=O)N1CCC[N@H+](C)CC1)S(C)(=O)=O ZINC000585145831 439635983 /nfs/dbraw/zinc/63/59/83/439635983.db2.gz MXUWTQRIUILWKQ-UHFFFAOYSA-N 1 1 339.461 0.925 50 0 ECAAMO O=C(NCc1nn[nH]n1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000584890710 439624327 /nfs/dbraw/zinc/62/43/27/439624327.db2.gz HNWUZNOZYLQARU-UHFFFAOYSA-N 1 1 329.408 0.706 50 0 ECAAMO Cc1ccc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1F ZINC000184158319 534097368 /nfs/dbraw/zinc/09/73/68/534097368.db2.gz CWVQODXACVAIGE-UHFFFAOYSA-N 1 1 330.425 0.964 50 0 ECAAMO Cc1ccc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1F ZINC000184158319 534097374 /nfs/dbraw/zinc/09/73/74/534097374.db2.gz CWVQODXACVAIGE-UHFFFAOYSA-N 1 1 330.425 0.964 50 0 ECAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000253537260 535409245 /nfs/dbraw/zinc/40/92/45/535409245.db2.gz HVCXEAVLQNEOQZ-LBPRGKRZSA-N 1 1 342.399 0.997 50 0 ECAAMO C[NH+](C)CCCN1CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1 ZINC000222779022 545924033 /nfs/dbraw/zinc/92/40/33/545924033.db2.gz IRNRKNWVBIDKEV-UHFFFAOYSA-N 1 1 334.468 0.371 50 0 ECAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2nnc3nc(C)cc(C)n32)C1 ZINC000670463506 548016695 /nfs/dbraw/zinc/01/66/95/548016695.db2.gz YIOFZRWCLTZVEX-CQSZACIVSA-N 1 1 346.435 0.829 50 0 ECAAMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN(C)C)c1 ZINC000169791091 609747308 /nfs/dbraw/zinc/74/73/08/609747308.db2.gz MUTOUTYKTWNWJJ-NVXWUHKLSA-N 1 1 349.479 0.349 50 0 ECAAMO COc1ccc2[nH]c(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1 ZINC000952982061 612139851 /nfs/dbraw/zinc/13/98/51/612139851.db2.gz ZFABDQQSOMWDSK-NSHDSACASA-N 1 1 345.403 0.385 50 0 ECAAMO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952985836 612140434 /nfs/dbraw/zinc/14/04/34/612140434.db2.gz FCQGIJLDMXLYMO-CQSZACIVSA-N 1 1 333.436 0.323 50 0 ECAAMO CN(C)[C@]1(C(=O)NCC[N@H+]2CCCOCC2)COc2ccccc2C1 ZINC000952994037 612140557 /nfs/dbraw/zinc/14/05/57/612140557.db2.gz OMQNJJTUNVJGTO-IBGZPJMESA-N 1 1 347.459 0.760 50 0 ECAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3ccnn3C)CC2)C12CCOCC2 ZINC000581802557 738445855 /nfs/dbraw/zinc/44/58/55/738445855.db2.gz MQVPEKNERMDCKD-INIZCTEOSA-N 1 1 348.447 0.905 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2ccc(Cn3cccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000023375426 738252802 /nfs/dbraw/zinc/25/28/02/738252802.db2.gz RMZHJKYDZJGLFM-OALUTQOASA-N 1 1 342.443 0.809 50 0 ECAAMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000052636065 214138241 /nfs/dbraw/zinc/13/82/41/214138241.db2.gz FUZSPFYZIKEAGH-ZDUSSCGKSA-N 1 1 325.840 0.955 50 0 ECAAMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000052961396 214157253 /nfs/dbraw/zinc/15/72/53/214157253.db2.gz BICLYRNMTIWSHB-OCCSQVGLSA-N 1 1 349.431 0.858 50 0 ECAAMO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@@H]1CO ZINC000091616909 282126996 /nfs/dbraw/zinc/12/69/96/282126996.db2.gz SJUIOZIRSPUWGJ-CHWSQXEVSA-N 1 1 329.404 0.714 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000178139278 530055854 /nfs/dbraw/zinc/05/58/54/530055854.db2.gz DKFMDDHZWQFQNK-CQSZACIVSA-N 1 1 332.404 0.931 50 0 ECAAMO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000066498660 215048499 /nfs/dbraw/zinc/04/84/99/215048499.db2.gz IVNBISPLCUOOGQ-MRXNPFEDSA-N 1 1 346.431 0.859 50 0 ECAAMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000066498660 215048502 /nfs/dbraw/zinc/04/85/02/215048502.db2.gz IVNBISPLCUOOGQ-MRXNPFEDSA-N 1 1 346.431 0.859 50 0 ECAAMO C[NH+](C)[C@H]1CN(C(=O)c2cc(COc3ccccc3F)n[nH]2)C[C@@H]1O ZINC000067588945 215166277 /nfs/dbraw/zinc/16/62/77/215166277.db2.gz AHGNRIPHJWZIBC-GJZGRUSLSA-N 1 1 348.378 0.875 50 0 ECAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000067650714 215173938 /nfs/dbraw/zinc/17/39/38/215173938.db2.gz ZXFXDCLFJYZMEW-SNVBAGLBSA-N 1 1 330.310 0.524 50 0 ECAAMO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000067675329 215180348 /nfs/dbraw/zinc/18/03/48/215180348.db2.gz QDXUMSXXSSKQGJ-CQSZACIVSA-N 1 1 347.467 0.729 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067787358 215212671 /nfs/dbraw/zinc/21/26/71/215212671.db2.gz YLYGTVMNHABSCT-CYBMUJFWSA-N 1 1 336.436 0.845 50 0 ECAAMO Nc1nc(Cl)cc(NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000040497797 213321970 /nfs/dbraw/zinc/32/19/70/213321970.db2.gz MFKOXUTYCVPZMB-GHMZBOCLSA-N 1 1 327.816 0.861 50 0 ECAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3c(O)cccn3c1=O)C2 ZINC000097480502 283247736 /nfs/dbraw/zinc/24/77/36/283247736.db2.gz DQNWABONJVHVHS-NWDGAFQWSA-N 1 1 328.372 0.566 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058407687 283349087 /nfs/dbraw/zinc/34/90/87/283349087.db2.gz CYIOLAZFRAGHIQ-OAHLLOKOSA-N 1 1 337.445 0.789 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058407687 283349094 /nfs/dbraw/zinc/34/90/94/283349094.db2.gz CYIOLAZFRAGHIQ-OAHLLOKOSA-N 1 1 337.445 0.789 50 0 ECAAMO O=C(c1cc(NCC[N@@H+]2CCCC[C@H]2CO)ccn1)N1CCOCC1 ZINC000072133524 216022731 /nfs/dbraw/zinc/02/27/31/216022731.db2.gz ISVPJLZTRQTGMS-INIZCTEOSA-N 1 1 348.447 0.813 50 0 ECAAMO CCc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072156384 216045683 /nfs/dbraw/zinc/04/56/83/216045683.db2.gz UBHMOPFCQHIFGQ-MRXNPFEDSA-N 1 1 331.416 0.522 50 0 ECAAMO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072162877 216051718 /nfs/dbraw/zinc/05/17/18/216051718.db2.gz QZBSYVAHXZLFOL-CQSZACIVSA-N 1 1 345.399 0.427 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000072268873 216088213 /nfs/dbraw/zinc/08/82/13/216088213.db2.gz NIVARRJGYCKXIJ-CQSZACIVSA-N 1 1 335.404 0.079 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000072255072 216084351 /nfs/dbraw/zinc/08/43/51/216084351.db2.gz MYRRENYJITZVKH-HZPDHXFCSA-N 1 1 333.436 0.684 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000072255072 216084353 /nfs/dbraw/zinc/08/43/53/216084353.db2.gz MYRRENYJITZVKH-HZPDHXFCSA-N 1 1 333.436 0.684 50 0 ECAAMO CNC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436331 216230759 /nfs/dbraw/zinc/23/07/59/216230759.db2.gz MDBJDOFWMWQAQH-CQSZACIVSA-N 1 1 333.436 0.547 50 0 ECAAMO CNC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436331 216230762 /nfs/dbraw/zinc/23/07/62/216230762.db2.gz MDBJDOFWMWQAQH-CQSZACIVSA-N 1 1 333.436 0.547 50 0 ECAAMO O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000072479549 216259151 /nfs/dbraw/zinc/25/91/51/216259151.db2.gz XMWCSDLCNMFVLQ-WMLDXEAASA-N 1 1 349.456 0.977 50 0 ECAAMO C[C@@H]1C[NH+](CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 ZINC000022612001 212311610 /nfs/dbraw/zinc/31/16/10/212311610.db2.gz VNGLUPVOQRJPGH-CHWSQXEVSA-N 1 1 344.415 0.691 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1S(N)(=O)=O ZINC000021999850 212268311 /nfs/dbraw/zinc/26/83/11/212268311.db2.gz KRSITCLIUSFUOQ-NSHDSACASA-N 1 1 341.433 0.557 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000021642440 212235900 /nfs/dbraw/zinc/23/59/00/212235900.db2.gz WIMMBOLXUCKMFU-INIZCTEOSA-N 1 1 331.416 0.878 50 0 ECAAMO C[C@@H]1C[C@H](N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C(=O)O1 ZINC000229553439 242176191 /nfs/dbraw/zinc/17/61/91/242176191.db2.gz DMEVZCNXLFYBCC-INMHGKMJSA-N 1 1 334.416 0.748 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000229888356 242211149 /nfs/dbraw/zinc/21/11/49/242211149.db2.gz RQMJZYAEYDRVTJ-RHSMWYFYSA-N 1 1 346.431 0.614 50 0 ECAAMO O=C(CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1)N1CCc2ccccc21 ZINC000244594125 243042022 /nfs/dbraw/zinc/04/20/22/243042022.db2.gz DGUJUPQMOLKNAH-ROUUACIJSA-N 1 1 345.443 0.343 50 0 ECAAMO O=C(CCCn1cncn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244601939 243043207 /nfs/dbraw/zinc/04/32/07/243043207.db2.gz DURQNHBNPWYXRG-HZPDHXFCSA-N 1 1 344.419 0.205 50 0 ECAAMO O=C(CCCn1cncn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244601939 243043212 /nfs/dbraw/zinc/04/32/12/243043212.db2.gz DURQNHBNPWYXRG-HZPDHXFCSA-N 1 1 344.419 0.205 50 0 ECAAMO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244882714 243098243 /nfs/dbraw/zinc/09/82/43/243098243.db2.gz XXCQSQPYJXCZCZ-HZPDHXFCSA-N 1 1 329.404 0.732 50 0 ECAAMO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244882714 243098246 /nfs/dbraw/zinc/09/82/46/243098246.db2.gz XXCQSQPYJXCZCZ-HZPDHXFCSA-N 1 1 329.404 0.732 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000020647910 212160501 /nfs/dbraw/zinc/16/05/01/212160501.db2.gz DSGGAKVJOLWCPA-UHFFFAOYSA-N 1 1 331.376 0.340 50 0 ECAAMO O=C(CCc1nc(Cc2ccccc2)no1)N1CC[NH+](CCO)CC1 ZINC000078432515 217050912 /nfs/dbraw/zinc/05/09/12/217050912.db2.gz YPUVOSNIJYVAQC-UHFFFAOYSA-N 1 1 344.415 0.730 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CCCNS(C)(=O)=O)C2)o1 ZINC000078891869 217140614 /nfs/dbraw/zinc/14/06/14/217140614.db2.gz XQJFAOWHZPROOY-CYBMUJFWSA-N 1 1 344.481 0.682 50 0 ECAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000079050344 217181899 /nfs/dbraw/zinc/18/18/99/217181899.db2.gz YPFIBHFFBDGNDA-ZDUSSCGKSA-N 1 1 345.447 0.860 50 0 ECAAMO COCCN1C[C@@H](c2nc(CN3CC[NH+](C)CC3)no2)CCC1=O ZINC000091808503 218069329 /nfs/dbraw/zinc/06/93/29/218069329.db2.gz CRRKFPVXERUDOL-ZDUSSCGKSA-N 1 1 337.424 0.169 50 0 ECAAMO Cn1c(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc2ccccc21 ZINC000091724332 218053923 /nfs/dbraw/zinc/05/39/23/218053923.db2.gz DAHBCYAVBNAPBB-HZPDHXFCSA-N 1 1 345.443 0.783 50 0 ECAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@@H]2COCCN2)CC1 ZINC000091914772 218088153 /nfs/dbraw/zinc/08/81/53/218088153.db2.gz ZNVLIOAMURZAIW-MRXNPFEDSA-N 1 1 349.479 0.529 50 0 ECAAMO COCc1noc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000092002110 218101854 /nfs/dbraw/zinc/10/18/54/218101854.db2.gz ASIKNNOOHNJEKK-MRXNPFEDSA-N 1 1 337.424 0.345 50 0 ECAAMO C[C@H](O)[C@@H](N)C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095382381 218314400 /nfs/dbraw/zinc/31/44/00/218314400.db2.gz SULGAPKZEBBOPC-DZGCQCFKSA-N 1 1 337.468 0.249 50 0 ECAAMO Cc1cccc(NC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000095422774 218364808 /nfs/dbraw/zinc/36/48/08/218364808.db2.gz IHEDVSKBYVGQPU-UHFFFAOYSA-N 1 1 340.449 0.684 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000069894838 285040162 /nfs/dbraw/zinc/04/01/62/285040162.db2.gz FCCDONNNIRHFGO-OAHLLOKOSA-N 1 1 349.460 0.969 50 0 ECAAMO Cc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)CC2)cc1 ZINC000299780208 258089746 /nfs/dbraw/zinc/08/97/46/258089746.db2.gz UCMTYHQNITXRID-ROUUACIJSA-N 1 1 343.471 0.846 50 0 ECAAMO Cn1nc(CO)c2c1CCN(c1cc([C@@H]3CCOC3)[nH+]c(N)n1)C2 ZINC000299790167 258096132 /nfs/dbraw/zinc/09/61/32/258096132.db2.gz AUQNQKSEUZVHGV-SNVBAGLBSA-N 1 1 330.392 0.351 50 0 ECAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CCn2cnnn2)C1 ZINC000299803156 258105949 /nfs/dbraw/zinc/10/59/49/258105949.db2.gz YMCJWGWYHSEADC-HNNXBMFYSA-N 1 1 328.420 0.977 50 0 ECAAMO O=C(CC[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccco1 ZINC000299761781 258078325 /nfs/dbraw/zinc/07/83/25/258078325.db2.gz NOWGKAFAGVUSAX-LSDHHAIUSA-N 1 1 331.376 0.723 50 0 ECAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[NH2+]C[C@H]3C)cc21 ZINC000193357296 276986400 /nfs/dbraw/zinc/98/64/00/276986400.db2.gz CHQPXXMERANGSV-GFCCVEGCSA-N 1 1 337.445 0.968 50 0 ECAAMO C[N@@H+]1CCN(S(C)(=O)=O)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107645701 290054010 /nfs/dbraw/zinc/05/40/10/290054010.db2.gz URFOXRSVBBGRIL-OAHLLOKOSA-N 1 1 329.466 0.355 50 0 ECAAMO C[N@H+]1CCN(S(C)(=O)=O)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107645701 290054011 /nfs/dbraw/zinc/05/40/11/290054011.db2.gz URFOXRSVBBGRIL-OAHLLOKOSA-N 1 1 329.466 0.355 50 0 ECAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000069770267 435964187 /nfs/dbraw/zinc/96/41/87/435964187.db2.gz FAYYZSXWRLRIFA-AAEUAGOBSA-N 1 1 333.388 0.998 50 0 ECAAMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c(=O)n1C ZINC000069774074 435964733 /nfs/dbraw/zinc/96/47/33/435964733.db2.gz YLNHRDIGXZAKCZ-UHFFFAOYSA-N 1 1 343.431 0.775 50 0 ECAAMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c(=O)n1C ZINC000069774074 435964739 /nfs/dbraw/zinc/96/47/39/435964739.db2.gz YLNHRDIGXZAKCZ-UHFFFAOYSA-N 1 1 343.431 0.775 50 0 ECAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000069770270 435965662 /nfs/dbraw/zinc/96/56/62/435965662.db2.gz FAYYZSXWRLRIFA-DGCLKSJQSA-N 1 1 333.388 0.998 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000069870007 435970809 /nfs/dbraw/zinc/97/08/09/435970809.db2.gz YGWKZSBGEHKBLA-LLVKDONJSA-N 1 1 345.241 0.561 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000003285050 435974065 /nfs/dbraw/zinc/97/40/65/435974065.db2.gz XOYQIIFHPPPIIV-UHFFFAOYSA-N 1 1 346.431 0.659 50 0 ECAAMO O[C@@H](COc1ccccc1)C[NH+]1CCN(CCn2cncn2)CC1 ZINC000069925266 435976232 /nfs/dbraw/zinc/97/62/32/435976232.db2.gz HIZPUVONJWIHAK-MRXNPFEDSA-N 1 1 331.420 0.336 50 0 ECAAMO C[NH+]1CCN(Nc2ccncc2S(=O)(=O)N2CCCCC2)CC1 ZINC000005798126 435994903 /nfs/dbraw/zinc/99/49/03/435994903.db2.gz QMTPWIGXJJDHFN-UHFFFAOYSA-N 1 1 339.465 0.831 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000070005737 435983059 /nfs/dbraw/zinc/98/30/59/435983059.db2.gz HRLKRMVLUYTSAK-QGZVFWFLSA-N 1 1 347.463 0.655 50 0 ECAAMO O=c1oc2ccccc2n1CCC[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000070040890 435986704 /nfs/dbraw/zinc/98/67/04/435986704.db2.gz CDJZSPVVRLCILZ-CQSZACIVSA-N 1 1 343.387 0.977 50 0 ECAAMO O=c1oc2ccccc2n1CCC[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000070040890 435986705 /nfs/dbraw/zinc/98/67/05/435986705.db2.gz CDJZSPVVRLCILZ-CQSZACIVSA-N 1 1 343.387 0.977 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)n1 ZINC000069624628 435950397 /nfs/dbraw/zinc/95/03/97/435950397.db2.gz AWZIIFIOPHDNSM-CYBMUJFWSA-N 1 1 334.424 0.690 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)NCCOc1ccccc1 ZINC000069596184 435950841 /nfs/dbraw/zinc/95/08/41/435950841.db2.gz DYCHEUYXXPKJBN-HNNXBMFYSA-N 1 1 329.404 0.938 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)NCCOc1ccccc1 ZINC000069596184 435950847 /nfs/dbraw/zinc/95/08/47/435950847.db2.gz DYCHEUYXXPKJBN-HNNXBMFYSA-N 1 1 329.404 0.938 50 0 ECAAMO Cc1nc(-n2cccn2)cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)n1 ZINC000071681230 436005732 /nfs/dbraw/zinc/00/57/32/436005732.db2.gz LJZPQJFMGBDBIK-HUUCEWRRSA-N 1 1 344.419 0.243 50 0 ECAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000071422383 436008108 /nfs/dbraw/zinc/00/81/08/436008108.db2.gz IFAXBAIFOUHVKE-LLVKDONJSA-N 1 1 329.422 0.381 50 0 ECAAMO COCCN1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071825043 436012589 /nfs/dbraw/zinc/01/25/89/436012589.db2.gz VYIXTCMYTXEBEQ-IBGZPJMESA-N 1 1 333.476 0.670 50 0 ECAAMO COCCN1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071825043 436012593 /nfs/dbraw/zinc/01/25/93/436012593.db2.gz VYIXTCMYTXEBEQ-IBGZPJMESA-N 1 1 333.476 0.670 50 0 ECAAMO Cn1c(=O)cc(C[N@@H+]2CCCN(c3nccs3)CC2)n(C)c1=O ZINC000071830497 436014941 /nfs/dbraw/zinc/01/49/41/436014941.db2.gz XTDADZOEVXFOAK-UHFFFAOYSA-N 1 1 335.433 0.253 50 0 ECAAMO Cn1c(=O)cc(C[N@H+]2CCCN(c3nccs3)CC2)n(C)c1=O ZINC000071830497 436014950 /nfs/dbraw/zinc/01/49/50/436014950.db2.gz XTDADZOEVXFOAK-UHFFFAOYSA-N 1 1 335.433 0.253 50 0 ECAAMO CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000071856696 436018190 /nfs/dbraw/zinc/01/81/90/436018190.db2.gz DGNMPNTZJMXLGQ-CHWSQXEVSA-N 1 1 342.440 0.674 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000071871051 436021514 /nfs/dbraw/zinc/02/15/14/436021514.db2.gz IKXJSFBHSRGGAS-CYBMUJFWSA-N 1 1 333.388 0.510 50 0 ECAAMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)cc2c1OCCO2 ZINC000071927880 436031590 /nfs/dbraw/zinc/03/15/90/436031590.db2.gz PTGQURYIXRITKL-UHFFFAOYSA-N 1 1 336.388 0.919 50 0 ECAAMO CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000014199248 436071087 /nfs/dbraw/zinc/07/10/87/436071087.db2.gz HQIAUNRLYQMPFT-UHFFFAOYSA-N 1 1 337.445 0.149 50 0 ECAAMO CS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000014199248 436071092 /nfs/dbraw/zinc/07/10/92/436071092.db2.gz HQIAUNRLYQMPFT-UHFFFAOYSA-N 1 1 337.445 0.149 50 0 ECAAMO OC[C@H]1CCCC[N@H+]1CCNc1nc2nonc2nc1N1CCCC1 ZINC000015062266 436076856 /nfs/dbraw/zinc/07/68/56/436076856.db2.gz XRDVODJNKUQSDO-GFCCVEGCSA-N 1 1 347.423 0.872 50 0 ECAAMO CC[C@H](C)NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678744 436084208 /nfs/dbraw/zinc/08/42/08/436084208.db2.gz JEPQICVRDMQOHQ-ZDUSSCGKSA-N 1 1 345.451 0.723 50 0 ECAAMO O=C(C[NH+]1CCCCCCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000016338696 436088840 /nfs/dbraw/zinc/08/88/40/436088840.db2.gz IJNVADRDIPQRLD-GFCCVEGCSA-N 1 1 331.438 0.265 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000025231464 436148932 /nfs/dbraw/zinc/14/89/32/436148932.db2.gz BSPRPLDFYHPGEG-UHFFFAOYSA-N 1 1 341.415 0.813 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027778789 436182486 /nfs/dbraw/zinc/18/24/86/436182486.db2.gz VYAGPHDMWNRBLD-UHFFFAOYSA-N 1 1 338.330 0.223 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032400382 436238317 /nfs/dbraw/zinc/23/83/17/436238317.db2.gz GRGVMDIRBNEENL-UHFFFAOYSA-N 1 1 342.399 0.101 50 0 ECAAMO Cc1ccc(OC2(C(=O)N[C@@H](C)c3nn[nH]n3)CC[NH2+]CC2)cc1 ZINC000077318852 436232232 /nfs/dbraw/zinc/23/22/32/436232232.db2.gz HSFWCVMVNAEXIO-LBPRGKRZSA-N 1 1 330.392 0.887 50 0 ECAAMO CC1(C)NC(=O)N(CCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000040515850 436266482 /nfs/dbraw/zinc/26/64/82/436266482.db2.gz TUDKJCIISGKFOF-UHFFFAOYSA-N 1 1 332.408 0.319 50 0 ECAAMO COCc1nc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1 ZINC000078788467 436278714 /nfs/dbraw/zinc/27/87/14/436278714.db2.gz DSPPUQMYYTUFDA-STQMWFEESA-N 1 1 325.434 0.961 50 0 ECAAMO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCOCC1 ZINC000044896162 436352601 /nfs/dbraw/zinc/35/26/01/436352601.db2.gz SDDNWIOWWOXQEK-CQSZACIVSA-N 1 1 343.449 0.973 50 0 ECAAMO CSCCC[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082106990 436361226 /nfs/dbraw/zinc/36/12/26/436361226.db2.gz DREVCXLRKOEUAM-UHFFFAOYSA-N 1 1 332.495 0.891 50 0 ECAAMO CCS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230446 436364255 /nfs/dbraw/zinc/36/42/55/436364255.db2.gz XLPPKSBOOOPJSK-UHFFFAOYSA-N 1 1 325.438 0.549 50 0 ECAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000084779895 436385659 /nfs/dbraw/zinc/38/56/59/436385659.db2.gz WLJAXIZGDUXVRL-IINYFYTJSA-N 1 1 337.449 0.895 50 0 ECAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)COc1ccccc1F ZINC000085469982 436389935 /nfs/dbraw/zinc/38/99/35/436389935.db2.gz JTDWCQNFKAQHJU-ZDUSSCGKSA-N 1 1 326.368 0.356 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)n(C)c1 ZINC000046860795 436401822 /nfs/dbraw/zinc/40/18/22/436401822.db2.gz DCHCXJWCCFKMIM-LBPRGKRZSA-N 1 1 342.465 0.537 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](C[C@H](O)Cn1cccn1)C[C@H]2O ZINC000044975402 436358619 /nfs/dbraw/zinc/35/86/19/436358619.db2.gz TXHGYRRZIVRTAE-GXTWGEPZSA-N 1 1 333.388 0.810 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](C[C@H](O)Cn1cccn1)C[C@H]2O ZINC000044975402 436358623 /nfs/dbraw/zinc/35/86/23/436358623.db2.gz TXHGYRRZIVRTAE-GXTWGEPZSA-N 1 1 333.388 0.810 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)c3cc[nH]c3)CC[N@H+]2C)CCC1=O ZINC000091319809 436449060 /nfs/dbraw/zinc/44/90/60/436449060.db2.gz WWWMFFDVSCMTSD-GOSISDBHSA-N 1 1 348.447 0.800 50 0 ECAAMO Cc1ccc(N2CCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)CC2)nn1 ZINC000089652353 436415130 /nfs/dbraw/zinc/41/51/30/436415130.db2.gz GHGBWFCTSIZTPX-UHFFFAOYSA-N 1 1 346.435 0.628 50 0 ECAAMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccncc1 ZINC000089884973 436418571 /nfs/dbraw/zinc/41/85/71/436418571.db2.gz SPFXMICWMOQNLY-HNNXBMFYSA-N 1 1 333.436 0.857 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000089938483 436422047 /nfs/dbraw/zinc/42/20/47/436422047.db2.gz NUGCCGHUODOGDJ-NSHDSACASA-N 1 1 341.433 0.379 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000089938483 436422050 /nfs/dbraw/zinc/42/20/50/436422050.db2.gz NUGCCGHUODOGDJ-NSHDSACASA-N 1 1 341.433 0.379 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)C[N@@H+]1C ZINC000096150403 436516937 /nfs/dbraw/zinc/51/69/37/436516937.db2.gz OXQHTJMLKJGURP-KGLIPLIRSA-N 1 1 334.420 0.056 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)C[N@H+]1C ZINC000096150403 436516940 /nfs/dbraw/zinc/51/69/40/436516940.db2.gz OXQHTJMLKJGURP-KGLIPLIRSA-N 1 1 334.420 0.056 50 0 ECAAMO O=C1[C@H]2CC[C@H](C[N@H+](CCOCCO)C2)N1Cc1cscn1 ZINC000095502058 436496156 /nfs/dbraw/zinc/49/61/56/436496156.db2.gz KRRSFJSZEPYYCG-GXTWGEPZSA-N 1 1 325.434 0.575 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)cc2)C[N@@H+]1C ZINC000095509040 436498795 /nfs/dbraw/zinc/49/87/95/436498795.db2.gz IYHNGRCLTXCJIN-ZBFHGGJFSA-N 1 1 333.432 0.992 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)cc2)C[N@H+]1C ZINC000095509040 436498796 /nfs/dbraw/zinc/49/87/96/436498796.db2.gz IYHNGRCLTXCJIN-ZBFHGGJFSA-N 1 1 333.432 0.992 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n[nH]1 ZINC000095961706 436501934 /nfs/dbraw/zinc/50/19/34/436501934.db2.gz BPSWEAYXCTUVJW-GFCCVEGCSA-N 1 1 342.403 0.399 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n[nH]1 ZINC000095961706 436501939 /nfs/dbraw/zinc/50/19/39/436501939.db2.gz BPSWEAYXCTUVJW-GFCCVEGCSA-N 1 1 342.403 0.399 50 0 ECAAMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1 ZINC000097163902 436540447 /nfs/dbraw/zinc/54/04/47/436540447.db2.gz ODXWKZKUDBQWSU-UHFFFAOYSA-N 1 1 326.466 0.728 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000107354718 436611208 /nfs/dbraw/zinc/61/12/08/436611208.db2.gz ANRKRRBGMMWSHX-IXDOHACOSA-N 1 1 349.475 0.814 50 0 ECAAMO O=C(C[N@@H+]1CCC=C(CNC(=O)c2cccs2)C1)N1CCOCC1 ZINC000065396515 436657141 /nfs/dbraw/zinc/65/71/41/436657141.db2.gz NUPGHJIPKWOYCL-UHFFFAOYSA-N 1 1 349.456 0.969 50 0 ECAAMO O=C(C[N@H+]1CCC=C(CNC(=O)c2cccs2)C1)N1CCOCC1 ZINC000065396515 436657144 /nfs/dbraw/zinc/65/71/44/436657144.db2.gz NUPGHJIPKWOYCL-UHFFFAOYSA-N 1 1 349.456 0.969 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000065417359 436659359 /nfs/dbraw/zinc/65/93/59/436659359.db2.gz MSSCVDUCJKTTDE-CQSZACIVSA-N 1 1 338.383 0.108 50 0 ECAAMO Nc1cc(=O)[nH]c(CCNC(=O)C2([NH+]3CCOCC3)CCCCC2)n1 ZINC000219831697 436697455 /nfs/dbraw/zinc/69/74/55/436697455.db2.gz LURHUPKIZUTNSU-UHFFFAOYSA-N 1 1 349.435 0.458 50 0 ECAAMO CN1CCN(c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000222769361 436703487 /nfs/dbraw/zinc/70/34/87/436703487.db2.gz GUXHPKYSACQIDJ-UHFFFAOYSA-N 1 1 346.475 0.625 50 0 ECAAMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000240871492 436758756 /nfs/dbraw/zinc/75/87/56/436758756.db2.gz IKXLZWXRJWKKTD-YHUYYLMFSA-N 1 1 326.437 0.628 50 0 ECAAMO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCOCC2)c1)Nc1ccccn1 ZINC000069442791 436773166 /nfs/dbraw/zinc/77/31/66/436773166.db2.gz FTILEHYWLFXYSU-CQSZACIVSA-N 1 1 346.391 0.615 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)n1cncn1 ZINC000069443490 436774230 /nfs/dbraw/zinc/77/42/30/436774230.db2.gz QYVBXLAGSRUAED-MRXNPFEDSA-N 1 1 345.451 0.943 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)n1cncn1 ZINC000069443490 436774233 /nfs/dbraw/zinc/77/42/33/436774233.db2.gz QYVBXLAGSRUAED-MRXNPFEDSA-N 1 1 345.451 0.943 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)CCN3CCCC3=O)CC2)cn1 ZINC000069484698 436775438 /nfs/dbraw/zinc/77/54/38/436775438.db2.gz DPCHCHISJPFMGG-UHFFFAOYSA-N 1 1 347.463 0.950 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)CCN3CCCC3=O)CC2)cn1 ZINC000069484698 436775443 /nfs/dbraw/zinc/77/54/43/436775443.db2.gz DPCHCHISJPFMGG-UHFFFAOYSA-N 1 1 347.463 0.950 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)o1 ZINC000069484941 436775816 /nfs/dbraw/zinc/77/58/16/436775816.db2.gz HPJKYWIAXQMVLG-NWDGAFQWSA-N 1 1 341.433 0.887 50 0 ECAAMO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3nccn3C)CC2)no1 ZINC000069489554 436776600 /nfs/dbraw/zinc/77/66/00/436776600.db2.gz ZHGHPCRSOZSFJG-UHFFFAOYSA-N 1 1 332.408 0.863 50 0 ECAAMO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000069558139 436781698 /nfs/dbraw/zinc/78/16/98/436781698.db2.gz IPLNYAHZBSKSHY-CHWSQXEVSA-N 1 1 334.420 0.957 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@H+](C[C@@H](O)COC[C@H]3CCCO3)CCO2)c1 ZINC000247161731 436789774 /nfs/dbraw/zinc/78/97/74/436789774.db2.gz MJHZULBFVYSWDQ-ZACQAIPSSA-N 1 1 339.436 0.449 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)CCO2)c1 ZINC000247161731 436789776 /nfs/dbraw/zinc/78/97/76/436789776.db2.gz MJHZULBFVYSWDQ-ZACQAIPSSA-N 1 1 339.436 0.449 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000253431400 436846150 /nfs/dbraw/zinc/84/61/50/436846150.db2.gz PYVOJTZPHURCSO-HOCLYGCPSA-N 1 1 346.431 0.267 50 0 ECAAMO Nc1nc(N2CCN(CCC(=O)Nc3nccs3)CC2)cc(=O)[nH]1 ZINC000253537329 436848275 /nfs/dbraw/zinc/84/82/75/436848275.db2.gz NYUDIHZBQFFRJI-UHFFFAOYSA-N 1 1 349.420 0.372 50 0 ECAAMO COc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cnccn2)C1 ZINC000257187136 436857358 /nfs/dbraw/zinc/85/73/58/436857358.db2.gz LKELKAKPXNSJED-GOEBONIOSA-N 1 1 342.399 0.708 50 0 ECAAMO COc1ccccc1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cnccn2)C1 ZINC000257187136 436857360 /nfs/dbraw/zinc/85/73/60/436857360.db2.gz LKELKAKPXNSJED-GOEBONIOSA-N 1 1 342.399 0.708 50 0 ECAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249737663 436825991 /nfs/dbraw/zinc/82/59/91/436825991.db2.gz GIACINZSQKNTEK-RQJABVFESA-N 1 1 331.482 0.839 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252474312 436831003 /nfs/dbraw/zinc/83/10/03/436831003.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 1 1 343.512 0.234 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252474312 436831006 /nfs/dbraw/zinc/83/10/06/436831006.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 1 1 343.512 0.234 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@H]1C ZINC000252475024 436831876 /nfs/dbraw/zinc/83/18/76/436831876.db2.gz QUNMFISAKYIYQJ-CABCVRRESA-N 1 1 349.479 0.867 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@H]1C ZINC000252475024 436831882 /nfs/dbraw/zinc/83/18/82/436831882.db2.gz QUNMFISAKYIYQJ-CABCVRRESA-N 1 1 349.479 0.867 50 0 ECAAMO CCN(Cc1nc(COC)no1)C(=O)C[C@@H](C)[NH+]1CCOCC1 ZINC000252483923 436834036 /nfs/dbraw/zinc/83/40/36/436834036.db2.gz FLBLVHIHUJIIHS-GFCCVEGCSA-N 1 1 326.397 0.675 50 0 ECAAMO Cc1cccc(OCC(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)c1C ZINC000534665405 439531474 /nfs/dbraw/zinc/53/14/74/439531474.db2.gz DCXYNEVZGYMUDQ-IRXDYDNUSA-N 1 1 347.459 0.813 50 0 ECAAMO COC(=O)[C@@H]([NH2+]CCCNC(=O)Nc1cc(OC)ncn1)C(C)C ZINC000585141389 439634222 /nfs/dbraw/zinc/63/42/22/439634222.db2.gz TYYQYQXCHIESHQ-ZDUSSCGKSA-N 1 1 339.396 0.784 50 0 ECAAMO COCCn1cnnc1C[NH2+][C@@H](C)Cn1cnc2ccccc2c1=O ZINC000584888635 439624336 /nfs/dbraw/zinc/62/43/36/439624336.db2.gz IAYDIZSIDYQFAB-ZDUSSCGKSA-N 1 1 342.403 0.813 50 0 ECAAMO COCCn1cnnc1C[NH2+][C@H](C)Cn1cnc2ccccc2c1=O ZINC000584888634 439624532 /nfs/dbraw/zinc/62/45/32/439624532.db2.gz IAYDIZSIDYQFAB-CYBMUJFWSA-N 1 1 342.403 0.813 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000084281212 545710481 /nfs/dbraw/zinc/71/04/81/545710481.db2.gz NRZNKEUWQWBLLQ-HNNXBMFYSA-N 1 1 337.424 0.133 50 0 ECAAMO Cc1nnc(SCC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)[nH]1 ZINC000244734514 545935753 /nfs/dbraw/zinc/93/57/53/545935753.db2.gz NGUFWVQFLRYSTO-UHFFFAOYSA-N 1 1 339.465 0.655 50 0 ECAAMO Cc1n[nH]c(SCC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000244734514 545935754 /nfs/dbraw/zinc/93/57/54/545935754.db2.gz NGUFWVQFLRYSTO-UHFFFAOYSA-N 1 1 339.465 0.655 50 0 ECAAMO O=C(c1cnccn1)N1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000670438587 548011561 /nfs/dbraw/zinc/01/15/61/548011561.db2.gz MNCORPFBXAPJNZ-CQSZACIVSA-N 1 1 326.404 0.951 50 0 ECAAMO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000670446504 548013252 /nfs/dbraw/zinc/01/32/52/548013252.db2.gz DGOZIEVSWDZYCB-HNNXBMFYSA-N 1 1 335.456 0.090 50 0 ECAAMO CC(C)=CCNC(=O)[C@]12C[N@H+](Cc3nnnn3C)C[C@@H]1COCC2 ZINC000685940386 549726908 /nfs/dbraw/zinc/72/69/08/549726908.db2.gz ICCOFXRFISFJME-CZUORRHYSA-N 1 1 334.424 0.131 50 0 ECAAMO CC(C)=CCNC(=O)[C@]12C[N@@H+](Cc3nnnn3C)C[C@@H]1COCC2 ZINC000685940386 549726909 /nfs/dbraw/zinc/72/69/09/549726909.db2.gz ICCOFXRFISFJME-CZUORRHYSA-N 1 1 334.424 0.131 50 0 ECAAMO CN(Cc1ccccc1F)C(=O)[C@@]12C[N@@H+](CC(N)=O)C[C@H]1COCC2 ZINC000685940519 549727325 /nfs/dbraw/zinc/72/73/25/549727325.db2.gz NGOZVRLCDXBEHW-KSSFIOAISA-N 1 1 349.406 0.608 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@](CO)(CC3CC3)C2)C1 ZINC000952966966 612138605 /nfs/dbraw/zinc/13/86/05/612138605.db2.gz GDXNONGMSMIBLO-YJBOKZPZSA-N 1 1 337.464 0.585 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H](c2cccnc2)C(F)(F)F)C1 ZINC000952967606 612139366 /nfs/dbraw/zinc/13/93/66/612139366.db2.gz IEVFYDNQUNODQS-DGCLKSJQSA-N 1 1 344.337 0.999 50 0 ECAAMO CCOCC(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802375 738445929 /nfs/dbraw/zinc/44/59/29/738445929.db2.gz GYOLLDJJZWCQIS-INIZCTEOSA-N 1 1 339.480 0.668 50 0 ECAAMO Cc1ncsc1C[N@H+]1CC[C@@]2(CO)CN(S(C)(=O)=O)C[C@H]2C1 ZINC000675022066 741341368 /nfs/dbraw/zinc/34/13/68/741341368.db2.gz VXTFOTPBBHPOJH-OCCSQVGLSA-N 1 1 345.490 0.527 50 0 ECAAMO CO[C@]12CC[N@@H+](CCCn3cnnn3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299762552 750805952 /nfs/dbraw/zinc/80/59/52/750805952.db2.gz XEBBOWRWDLWIBJ-SOUVJXGZSA-N 1 1 325.413 0.084 50 0 ECAAMO O=C(NCc1cc2n(n1)CCNC2)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097634937 219042972 /nfs/dbraw/zinc/04/29/72/219042972.db2.gz DHEUHPFWNNUFFL-AWEZNQCLSA-N 1 1 347.463 0.494 50 0 ECAAMO O=C(NCc1cc2n(n1)CCNC2)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000097634937 219042973 /nfs/dbraw/zinc/04/29/73/219042973.db2.gz DHEUHPFWNNUFFL-AWEZNQCLSA-N 1 1 347.463 0.494 50 0 ECAAMO CCC[N@@H+](CCO)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000053094509 214163884 /nfs/dbraw/zinc/16/38/84/214163884.db2.gz GBEUCRLJFYSSSJ-UHFFFAOYSA-N 1 1 341.496 0.842 50 0 ECAAMO CNc1cc(C)nc(N2CC[N@H+](Cc3ccc(CO)o3)C[C@H](O)C2)n1 ZINC000097785490 219057480 /nfs/dbraw/zinc/05/74/80/219057480.db2.gz YYTXVVTZMOLVMY-ZDUSSCGKSA-N 1 1 347.419 0.595 50 0 ECAAMO CNc1cc(C)nc(N2CC[N@@H+](Cc3ccc(CO)o3)C[C@H](O)C2)n1 ZINC000097785490 219057482 /nfs/dbraw/zinc/05/74/82/219057482.db2.gz YYTXVVTZMOLVMY-ZDUSSCGKSA-N 1 1 347.419 0.595 50 0 ECAAMO OCCOc1cccc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000097823242 219058881 /nfs/dbraw/zinc/05/88/81/219058881.db2.gz BWTRCSQHZQTHHO-ROUUACIJSA-N 1 1 336.432 0.325 50 0 ECAAMO OCCOc1cccc(C[N@@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000097823242 219058883 /nfs/dbraw/zinc/05/88/83/219058883.db2.gz BWTRCSQHZQTHHO-ROUUACIJSA-N 1 1 336.432 0.325 50 0 ECAAMO OCCOc1cccc(C[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)c1 ZINC000097823242 219058885 /nfs/dbraw/zinc/05/88/85/219058885.db2.gz BWTRCSQHZQTHHO-ROUUACIJSA-N 1 1 336.432 0.325 50 0 ECAAMO Cn1ncc(Cl)c1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000187421066 530061915 /nfs/dbraw/zinc/06/19/15/530061915.db2.gz MPMDLFHQASISMH-ZDUSSCGKSA-N 1 1 325.844 0.812 50 0 ECAAMO COCCN1CCC[C@@](O)(C[NH2+]Cc2cn3ccsc3n2)C1=O ZINC000067561201 215161869 /nfs/dbraw/zinc/16/18/69/215161869.db2.gz UOEULRVDZZQUAC-OAHLLOKOSA-N 1 1 338.433 0.485 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)[C@@H](O)c1ccc(F)cc1)CC2 ZINC000067867682 215234212 /nfs/dbraw/zinc/23/42/12/215234212.db2.gz HPUJQCLDEYHJPS-HNNXBMFYSA-N 1 1 349.406 0.672 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000040501134 213323808 /nfs/dbraw/zinc/32/38/08/213323808.db2.gz DGONRFBPQLJONF-CYBMUJFWSA-N 1 1 348.403 0.075 50 0 ECAAMO Cn1c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O ZINC000040477857 213314259 /nfs/dbraw/zinc/31/42/59/213314259.db2.gz UTLWOOUCCXAQSP-UHFFFAOYSA-N 1 1 331.372 0.487 50 0 ECAAMO NC(=O)Cn1cc[nH+]c1C1CCN(c2ncccc2C(N)=O)CC1 ZINC000095527793 283297021 /nfs/dbraw/zinc/29/70/21/283297021.db2.gz IFQHYMUKEFLBLQ-UHFFFAOYSA-N 1 1 328.376 0.246 50 0 ECAAMO O=C(Cc1cn2ccsc2n1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072134382 216023856 /nfs/dbraw/zinc/02/38/56/216023856.db2.gz UJKBXOFLZPLDOS-LBPRGKRZSA-N 1 1 333.417 0.017 50 0 ECAAMO COc1ccccc1[C@@H]1C[N@@H+](C(CO)CO)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072163887 216053028 /nfs/dbraw/zinc/05/30/28/216053028.db2.gz GVCZCBDAWKBDLL-QXAKKESOSA-N 1 1 332.444 0.910 50 0 ECAAMO COc1ccccc1[C@@H]1CN(C(CO)CO)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072163887 216053032 /nfs/dbraw/zinc/05/30/32/216053032.db2.gz GVCZCBDAWKBDLL-QXAKKESOSA-N 1 1 332.444 0.910 50 0 ECAAMO CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000072273214 216096524 /nfs/dbraw/zinc/09/65/24/216096524.db2.gz MLIQBINTKJKEOW-CYBMUJFWSA-N 1 1 325.434 0.553 50 0 ECAAMO O=C(c1ccco1)N1CCN(C(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072454652 216241976 /nfs/dbraw/zinc/24/19/76/216241976.db2.gz NJNXYUHFMJLQKJ-CQSZACIVSA-N 1 1 329.360 0.174 50 0 ECAAMO CNC(=O)C[NH+]1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072463896 216246437 /nfs/dbraw/zinc/24/64/37/216246437.db2.gz QIVHPTKIPCETEX-UHFFFAOYSA-N 1 1 333.436 0.547 50 0 ECAAMO Cc1cc(Cl)ccc1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000022130553 212277556 /nfs/dbraw/zinc/27/75/56/212277556.db2.gz MWUUVFQEKHMUFL-HNNXBMFYSA-N 1 1 328.840 0.998 50 0 ECAAMO O=C(NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1)c1cn[nH]c1 ZINC000215726139 241140567 /nfs/dbraw/zinc/14/05/67/241140567.db2.gz AWLIOCXITCLKFX-UHFFFAOYSA-N 1 1 326.422 0.181 50 0 ECAAMO CN(C)C1=NC2(CC[NH+](CC(=O)NCc3ccccc3)CC2)C(=O)N1 ZINC000243957170 243036562 /nfs/dbraw/zinc/03/65/62/243036562.db2.gz CHBHZCCKIZOXIJ-UHFFFAOYSA-N 1 1 343.431 0.185 50 0 ECAAMO C[C@H](C(=O)Nc1ccccn1)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000244811747 243086574 /nfs/dbraw/zinc/08/65/74/243086574.db2.gz SKLHZTCATRGQHI-GFCCVEGCSA-N 1 1 345.403 0.767 50 0 ECAAMO Cc1cc(N)n(CC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000244723734 243069626 /nfs/dbraw/zinc/06/96/26/243069626.db2.gz MGJFAMQHYFRFNM-HNNXBMFYSA-N 1 1 328.420 0.950 50 0 ECAAMO Cc1cc(N)n(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000244723734 243069631 /nfs/dbraw/zinc/06/96/31/243069631.db2.gz MGJFAMQHYFRFNM-HNNXBMFYSA-N 1 1 328.420 0.950 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 ZINC000244741889 243072908 /nfs/dbraw/zinc/07/29/08/243072908.db2.gz NYJYUUNMNFXADX-MPGHIAIKSA-N 1 1 332.448 0.647 50 0 ECAAMO O=C(NCCN1C(=O)CNC1=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000078693632 217103361 /nfs/dbraw/zinc/10/33/61/217103361.db2.gz VIRCICPHTUFPQJ-HNNXBMFYSA-N 1 1 344.415 0.567 50 0 ECAAMO Cc1cc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n2ncnc2n1 ZINC000264296593 246312290 /nfs/dbraw/zinc/31/22/90/246312290.db2.gz CNHSIUAJMAUTQQ-UHFFFAOYSA-N 1 1 326.408 0.879 50 0 ECAAMO COCC[C@]1(O)CCN(C(=O)CN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC000091586263 218025710 /nfs/dbraw/zinc/02/57/10/218025710.db2.gz ZCDWWBUQADWBIV-NVXWUHKLSA-N 1 1 327.469 0.260 50 0 ECAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000091713213 218052473 /nfs/dbraw/zinc/05/24/73/218052473.db2.gz RHKJIAICANKGPB-NWDGAFQWSA-N 1 1 342.403 0.473 50 0 ECAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nnc(C3CC3)o1)C2 ZINC000091872036 218080853 /nfs/dbraw/zinc/08/08/53/218080853.db2.gz HEBBDVGAJPSLAM-GXTWGEPZSA-N 1 1 333.436 0.931 50 0 ECAAMO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@@H](O)C2)cc1 ZINC000097324074 219011594 /nfs/dbraw/zinc/01/15/94/219011594.db2.gz QGSNJHGQQOYERG-MRXNPFEDSA-N 1 1 329.404 0.187 50 0 ECAAMO COCc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000097499641 219030915 /nfs/dbraw/zinc/03/09/15/219030915.db2.gz SGUNBNCNDSUNHL-LLVKDONJSA-N 1 1 325.434 0.822 50 0 ECAAMO Cc1noc(CN(C)C(=O)NCCC[N@H+]2CCCC[C@H]2CO)n1 ZINC000426510560 254787743 /nfs/dbraw/zinc/78/77/43/254787743.db2.gz BKAUYYDBXHOXFB-ZDUSSCGKSA-N 1 1 325.413 0.756 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1nnc2ccc(OC)nn21 ZINC000096230983 285284818 /nfs/dbraw/zinc/28/48/18/285284818.db2.gz LESFLBCADXCBSM-LBPRGKRZSA-N 1 1 332.408 0.666 50 0 ECAAMO C[C@@H](C(=O)NCc1cc(-c2cccnc2)no1)N1CC[NH+](C)CC1 ZINC000299770893 258083825 /nfs/dbraw/zinc/08/38/25/258083825.db2.gz NUDOXPHZLQDGEG-ZDUSSCGKSA-N 1 1 329.404 0.989 50 0 ECAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299773337 258085201 /nfs/dbraw/zinc/08/52/01/258085201.db2.gz FBFHZGVAYWTOED-GFCCVEGCSA-N 1 1 342.399 0.663 50 0 ECAAMO [NH3+]CCCOc1ccc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000299798108 258101766 /nfs/dbraw/zinc/10/17/66/258101766.db2.gz PNTSXGLWVYVCDS-UHFFFAOYSA-N 1 1 344.419 0.490 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299799169 258102843 /nfs/dbraw/zinc/10/28/43/258102843.db2.gz RCFBLOFCFLWHGV-UONOGXRCSA-N 1 1 330.392 0.800 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000107694709 258070123 /nfs/dbraw/zinc/07/01/23/258070123.db2.gz HOAXNWJSHJXTCC-HNNXBMFYSA-N 1 1 325.453 0.156 50 0 ECAAMO CO[C@]12CC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299761249 258077716 /nfs/dbraw/zinc/07/77/16/258077716.db2.gz YIEBDOZOOVROLC-HEHGZKQESA-N 1 1 339.392 0.409 50 0 ECAAMO O=C(CNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1)N1CCCC1 ZINC000299764905 258080117 /nfs/dbraw/zinc/08/01/17/258080117.db2.gz WCEUBXNMDKGZDG-LBPRGKRZSA-N 1 1 335.408 0.419 50 0 ECAAMO COCCN(C(=O)C[N@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044890643 292389675 /nfs/dbraw/zinc/38/96/75/292389675.db2.gz HZUHUNKNVPDRFM-CQSZACIVSA-N 1 1 332.466 0.523 50 0 ECAAMO COCCN(C(=O)C[N@@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044890643 292389677 /nfs/dbraw/zinc/38/96/77/292389677.db2.gz HZUHUNKNVPDRFM-CQSZACIVSA-N 1 1 332.466 0.523 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000071864571 287095075 /nfs/dbraw/zinc/09/50/75/287095075.db2.gz YDIGVLOFIRDXEK-HUUCEWRRSA-N 1 1 341.477 0.352 50 0 ECAAMO COCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C ZINC000010387042 274033502 /nfs/dbraw/zinc/03/35/02/274033502.db2.gz PJCLLAXFCORSMF-UHFFFAOYSA-N 1 1 348.407 0.395 50 0 ECAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246169274 277127544 /nfs/dbraw/zinc/12/75/44/277127544.db2.gz KVMLRTKFCITRPB-FZMZJTMJSA-N 1 1 325.359 0.990 50 0 ECAAMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246169274 277127545 /nfs/dbraw/zinc/12/75/45/277127545.db2.gz KVMLRTKFCITRPB-FZMZJTMJSA-N 1 1 325.359 0.990 50 0 ECAAMO CC(C)C[NH+]1CCC(N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)CC1 ZINC000222369066 277386411 /nfs/dbraw/zinc/38/64/11/277386411.db2.gz WJYAMDVIQCMMEA-IAGOWNOFSA-N 1 1 341.496 0.959 50 0 ECAAMO C[C@@H](C(=O)NCCCNS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000071897855 278207107 /nfs/dbraw/zinc/20/71/07/278207107.db2.gz TYGUFVWTZQQCGK-ZDUSSCGKSA-N 1 1 339.461 0.489 50 0 ECAAMO C[C@@H](C(=O)NCCCNS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000071897855 278207108 /nfs/dbraw/zinc/20/71/08/278207108.db2.gz TYGUFVWTZQQCGK-ZDUSSCGKSA-N 1 1 339.461 0.489 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000072238004 279348366 /nfs/dbraw/zinc/34/83/66/279348366.db2.gz MFDDTHCIGLSXGT-SJORKVTESA-N 1 1 331.416 0.749 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000019849780 290011416 /nfs/dbraw/zinc/01/14/16/290011416.db2.gz LNCUXAQLYCWHBZ-UHFFFAOYSA-N 1 1 325.434 0.222 50 0 ECAAMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)C(=O)N1CCCC1 ZINC000069702880 435959016 /nfs/dbraw/zinc/95/90/16/435959016.db2.gz NXKBZEJLOCFUAX-ZNMIVQPWSA-N 1 1 343.493 0.238 50 0 ECAAMO CC[C@H]1CN(CCn2cccn2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000069895625 435975129 /nfs/dbraw/zinc/97/51/29/435975129.db2.gz KLVNGCDZQWLTJI-IRXDYDNUSA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@H]1C[N@H+](CCn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000069895625 435975133 /nfs/dbraw/zinc/97/51/33/435975133.db2.gz KLVNGCDZQWLTJI-IRXDYDNUSA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000069895625 435975138 /nfs/dbraw/zinc/97/51/38/435975138.db2.gz KLVNGCDZQWLTJI-IRXDYDNUSA-N 1 1 332.452 0.537 50 0 ECAAMO COCC[NH+]1CCN([C@H](C)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000069951299 435979385 /nfs/dbraw/zinc/97/93/85/435979385.db2.gz BSNPJUXZRGIERY-OAHLLOKOSA-N 1 1 335.448 0.964 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000069976692 435979519 /nfs/dbraw/zinc/97/95/19/435979519.db2.gz AEJNCLOLRXWUGS-CHWSQXEVSA-N 1 1 337.386 0.834 50 0 ECAAMO Cn1cnc2c1c(=O)n(CCC[N@@H+](CCCCO)C1CC1)c(=O)n2C ZINC000070018859 435982249 /nfs/dbraw/zinc/98/22/49/435982249.db2.gz GFLBENWWFQQUFL-UHFFFAOYSA-N 1 1 349.435 0.061 50 0 ECAAMO O[C@H](COCc1cccs1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020857 435984266 /nfs/dbraw/zinc/98/42/66/435984266.db2.gz JTLSVVKRFUAXNB-KBPBESRZSA-N 1 1 338.433 0.618 50 0 ECAAMO O[C@H](COCc1cccs1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020857 435984270 /nfs/dbraw/zinc/98/42/70/435984270.db2.gz JTLSVVKRFUAXNB-KBPBESRZSA-N 1 1 338.433 0.618 50 0 ECAAMO O=C(CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000069628593 435953490 /nfs/dbraw/zinc/95/34/90/435953490.db2.gz WIJRGZFGPFEKCQ-SFHVURJKSA-N 1 1 347.459 0.587 50 0 ECAAMO CCc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069652150 435953543 /nfs/dbraw/zinc/95/35/43/435953543.db2.gz HDBUSEFPQQSVOG-ZIAGYGMSSA-N 1 1 334.424 0.568 50 0 ECAAMO C[C@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000069655632 435956497 /nfs/dbraw/zinc/95/64/97/435956497.db2.gz GEEKBSVJZDATNK-LBPRGKRZSA-N 1 1 327.375 0.752 50 0 ECAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCNC(=O)CC2)[nH]1 ZINC000071752636 436009313 /nfs/dbraw/zinc/00/93/13/436009313.db2.gz NUKZSKQLDKDYKT-STQMWFEESA-N 1 1 333.436 0.274 50 0 ECAAMO COCCN1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071825044 436013383 /nfs/dbraw/zinc/01/33/83/436013383.db2.gz VYIXTCMYTXEBEQ-LJQANCHMSA-N 1 1 333.476 0.670 50 0 ECAAMO COCCN1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071825044 436013389 /nfs/dbraw/zinc/01/33/89/436013389.db2.gz VYIXTCMYTXEBEQ-LJQANCHMSA-N 1 1 333.476 0.670 50 0 ECAAMO CN(CC(=O)N1CC[NH+](CC2CC2)CC1)c1ncnc2[nH]cnc21 ZINC000071830302 436016925 /nfs/dbraw/zinc/01/69/25/436016925.db2.gz BHLZDXMUWNOORN-UHFFFAOYSA-N 1 1 329.408 0.343 50 0 ECAAMO COCCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071859747 436017350 /nfs/dbraw/zinc/01/73/50/436017350.db2.gz QLJSGGSQWRKXTR-HUUCEWRRSA-N 1 1 335.452 0.918 50 0 ECAAMO C[N@H+](CC(=O)Nc1nncs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071859752 436017658 /nfs/dbraw/zinc/01/76/58/436017658.db2.gz KYFBIEWYXZUWBI-LLVKDONJSA-N 1 1 333.421 0.867 50 0 ECAAMO C[N@@H+](CC(=O)Nc1nncs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071859752 436017664 /nfs/dbraw/zinc/01/76/64/436017664.db2.gz KYFBIEWYXZUWBI-LLVKDONJSA-N 1 1 333.421 0.867 50 0 ECAAMO CCCCN(C)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000071850117 436018792 /nfs/dbraw/zinc/01/87/92/436018792.db2.gz HBMZJKMOTYFXDM-OAHLLOKOSA-N 1 1 334.530 0.825 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000071892875 436028822 /nfs/dbraw/zinc/02/88/22/436028822.db2.gz GKYLMJXLZOQCAC-ZDUSSCGKSA-N 1 1 336.402 0.767 50 0 ECAAMO Cc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587639 436095192 /nfs/dbraw/zinc/09/51/92/436095192.db2.gz BSHRDERYLLHXDK-UHFFFAOYSA-N 1 1 330.388 0.289 50 0 ECAAMO Cc1ccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587639 436095196 /nfs/dbraw/zinc/09/51/96/436095196.db2.gz BSHRDERYLLHXDK-UHFFFAOYSA-N 1 1 330.388 0.289 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccc(F)c1 ZINC000016585314 436095629 /nfs/dbraw/zinc/09/56/29/436095629.db2.gz CHFQXBCDJBNSIW-JTQLQIEISA-N 1 1 348.378 0.509 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccc(F)c1 ZINC000016585314 436095636 /nfs/dbraw/zinc/09/56/36/436095636.db2.gz CHFQXBCDJBNSIW-JTQLQIEISA-N 1 1 348.378 0.509 50 0 ECAAMO Cn1cc(N2CCC[C@H](NC(=O)N3CC[NH+](C4CC4)CC3)C2)cn1 ZINC000074613082 436132142 /nfs/dbraw/zinc/13/21/42/436132142.db2.gz GQDWKOOVVHSIPZ-AWEZNQCLSA-N 1 1 332.452 0.879 50 0 ECAAMO CCC(=O)Nc1cccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000076092451 436191623 /nfs/dbraw/zinc/19/16/23/436191623.db2.gz YARJYKCOMFRZBM-GOSISDBHSA-N 1 1 349.431 0.848 50 0 ECAAMO CN(C)c1nc(N2CCN(CCNC(=O)C3CCC3)CC2)cc[nH+]1 ZINC000077218950 436228043 /nfs/dbraw/zinc/22/80/43/436228043.db2.gz JQHXDTRAEDGLCX-UHFFFAOYSA-N 1 1 332.452 0.581 50 0 ECAAMO CC[C@@](C)(CNC(=O)Cc1c(C)nc(C)[nH]c1=O)[NH+]1CCOCC1 ZINC000031419260 436228680 /nfs/dbraw/zinc/22/86/80/436228680.db2.gz DIKQOCNDILVXHJ-KRWDZBQOSA-N 1 1 336.436 0.546 50 0 ECAAMO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2nccs2)CC1 ZINC000044896489 436352654 /nfs/dbraw/zinc/35/26/54/436352654.db2.gz FDQZHCSSTLOEDZ-UONOGXRCSA-N 1 1 327.450 0.822 50 0 ECAAMO CNS(=O)(=O)CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000083615367 436373301 /nfs/dbraw/zinc/37/33/01/436373301.db2.gz FBOJXDKAAFFNDL-AWEZNQCLSA-N 1 1 339.461 0.659 50 0 ECAAMO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000083927540 436376985 /nfs/dbraw/zinc/37/69/85/436376985.db2.gz VHWYJADKGSVDTJ-LBPRGKRZSA-N 1 1 331.376 0.480 50 0 ECAAMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)N1CCCOCC1 ZINC000084290804 436379138 /nfs/dbraw/zinc/37/91/38/436379138.db2.gz JMFURRCBMMRWNW-CQSZACIVSA-N 1 1 328.438 0.623 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1(O)CCCCC1 ZINC000086533407 436393501 /nfs/dbraw/zinc/39/35/01/436393501.db2.gz KHYCWRKLBPTEBO-UHFFFAOYSA-N 1 1 347.463 0.800 50 0 ECAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000087500186 436398789 /nfs/dbraw/zinc/39/87/89/436398789.db2.gz KVMLRTKFCITRPB-RISCZKNCSA-N 1 1 325.359 0.990 50 0 ECAAMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000087500186 436398792 /nfs/dbraw/zinc/39/87/92/436398792.db2.gz KVMLRTKFCITRPB-RISCZKNCSA-N 1 1 325.359 0.990 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)c3cc[nH]c3)CC[N@H+]2C)CCC1=O ZINC000091319806 436449664 /nfs/dbraw/zinc/44/96/64/436449664.db2.gz WWWMFFDVSCMTSD-SFHVURJKSA-N 1 1 348.447 0.800 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000048374524 436450828 /nfs/dbraw/zinc/45/08/28/436450828.db2.gz AAHWIGSIPYANPG-CQSZACIVSA-N 1 1 348.403 0.944 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)o1 ZINC000089702297 436415185 /nfs/dbraw/zinc/41/51/85/436415185.db2.gz MXIZRDCUAYYADB-CYBMUJFWSA-N 1 1 347.419 0.087 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)o1 ZINC000089702297 436415187 /nfs/dbraw/zinc/41/51/87/436415187.db2.gz MXIZRDCUAYYADB-CYBMUJFWSA-N 1 1 347.419 0.087 50 0 ECAAMO Cc1nn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)c(C)c1Cl ZINC000047304370 436416628 /nfs/dbraw/zinc/41/66/28/436416628.db2.gz SROWYUWEMGDGHE-UHFFFAOYSA-N 1 1 327.816 0.219 50 0 ECAAMO COCCOc1cccc(CNC(=O)CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000089939089 436420592 /nfs/dbraw/zinc/42/05/92/436420592.db2.gz LWYOBUCDLDTZHD-OAHLLOKOSA-N 1 1 335.448 0.964 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089939248 436420869 /nfs/dbraw/zinc/42/08/69/436420869.db2.gz RZFBVIXJZJKAIL-AWEZNQCLSA-N 1 1 341.477 0.952 50 0 ECAAMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047494595 436421296 /nfs/dbraw/zinc/42/12/96/436421296.db2.gz RGGDCFPXNUBCGX-YNEHKIRRSA-N 1 1 325.409 0.139 50 0 ECAAMO Cn1ncc(C(=O)NCCC[NH+]2CCN(C)CC2)c1-n1cccc1 ZINC000047629760 436427541 /nfs/dbraw/zinc/42/75/41/436427541.db2.gz HACNAIVPHBVOEZ-UHFFFAOYSA-N 1 1 330.436 0.578 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)c(=O)c2)C[N@@H+]1C ZINC000096141641 436516399 /nfs/dbraw/zinc/51/63/99/436516399.db2.gz KPPIHDWKAZNNTA-GJZGRUSLSA-N 1 1 348.447 0.539 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)c(=O)c2)C[N@H+]1C ZINC000096141641 436516403 /nfs/dbraw/zinc/51/64/03/436516403.db2.gz KPPIHDWKAZNNTA-GJZGRUSLSA-N 1 1 348.447 0.539 50 0 ECAAMO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)s1 ZINC000051098886 436482104 /nfs/dbraw/zinc/48/21/04/436482104.db2.gz RPKJVJNREGNEGD-JTQLQIEISA-N 1 1 338.433 0.834 50 0 ECAAMO Cc1ccccc1[C@H](C(=O)NC1CCN(CC(N)=O)CC1)[NH+](C)C ZINC000095526781 436499357 /nfs/dbraw/zinc/49/93/57/436499357.db2.gz IRIXPUMRRGUVJB-QGZVFWFLSA-N 1 1 332.448 0.664 50 0 ECAAMO O=C([O-])C[N@H+]1CCC2(CC[NH+](C3CCOCC3)CC2)[C@@H](CO)C1 ZINC000097098814 436538663 /nfs/dbraw/zinc/53/86/63/436538663.db2.gz CRNBRLMIHUUWSL-CQSZACIVSA-N 1 1 326.437 0.646 50 0 ECAAMO C[N@@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO ZINC000104344597 436559360 /nfs/dbraw/zinc/55/93/60/436559360.db2.gz ROEJFSUPCOBXGN-CYBMUJFWSA-N 1 1 326.466 0.478 50 0 ECAAMO C[N@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO ZINC000104344597 436559363 /nfs/dbraw/zinc/55/93/63/436559363.db2.gz ROEJFSUPCOBXGN-CYBMUJFWSA-N 1 1 326.466 0.478 50 0 ECAAMO COc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(O)c1 ZINC000058405679 436625405 /nfs/dbraw/zinc/62/54/05/436625405.db2.gz PFVHGFJWWHDTSN-OAHLLOKOSA-N 1 1 347.415 0.955 50 0 ECAAMO Cc1csc2nc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cc(=O)n12 ZINC000106867975 436602689 /nfs/dbraw/zinc/60/26/89/436602689.db2.gz ZQHGODBJOZKUHV-WCQYABFASA-N 1 1 336.461 0.951 50 0 ECAAMO Cc1cccc(N2CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC2)[nH+]1 ZINC000116666879 436650412 /nfs/dbraw/zinc/65/04/12/436650412.db2.gz UCDFTMCTAKPSSG-GFCCVEGCSA-N 1 1 325.434 0.908 50 0 ECAAMO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCN(C2CCCC2)CC1 ZINC000065395119 436656805 /nfs/dbraw/zinc/65/68/05/436656805.db2.gz VRBBGLAEZQJAGE-OAHLLOKOSA-N 1 1 346.479 0.978 50 0 ECAAMO O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000225471339 436709820 /nfs/dbraw/zinc/70/98/20/436709820.db2.gz YZAFTGQDRITMMM-GFCCVEGCSA-N 1 1 338.374 0.645 50 0 ECAAMO COc1cc2c(cc1CNC(=O)[C@@]13C[NH2+]C[C@@H]1CN(C)C3)OCCO2 ZINC000065465284 436662427 /nfs/dbraw/zinc/66/24/27/436662427.db2.gz XKCTZQPMAAZYCU-FZKQIMNGSA-N 1 1 347.415 0.234 50 0 ECAAMO COc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000065527492 436666290 /nfs/dbraw/zinc/66/62/90/436666290.db2.gz DBWHCJIQXVGSNQ-FZKQIMNGSA-N 1 1 346.431 0.291 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCNC(=O)C2)nc1 ZINC000067675821 436720244 /nfs/dbraw/zinc/72/02/44/436720244.db2.gz ZPNBFHQBSKFGAZ-OAHLLOKOSA-N 1 1 345.447 0.622 50 0 ECAAMO CN1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237199220 436726974 /nfs/dbraw/zinc/72/69/74/436726974.db2.gz BXCQOUOYIOQDMR-CVEARBPZSA-N 1 1 330.432 0.451 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C)CC1 ZINC000229305946 436715515 /nfs/dbraw/zinc/71/55/15/436715515.db2.gz QXHMXSVUSJNYPY-DOTOQJQBSA-N 1 1 336.480 0.483 50 0 ECAAMO C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000246995071 436788830 /nfs/dbraw/zinc/78/88/30/436788830.db2.gz NOPGRRXMRATDOX-BZUAXINKSA-N 1 1 326.437 0.751 50 0 ECAAMO C[C@](O)(C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397032 436841974 /nfs/dbraw/zinc/84/19/74/436841974.db2.gz TUTWBPRLMNMWNB-MNOVXSKESA-N 1 1 330.372 0.800 50 0 ECAAMO C[C@](O)(C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397032 436841977 /nfs/dbraw/zinc/84/19/77/436841977.db2.gz TUTWBPRLMNMWNB-MNOVXSKESA-N 1 1 330.372 0.800 50 0 ECAAMO O=C(CCn1ccnc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257179232 436857119 /nfs/dbraw/zinc/85/71/19/436857119.db2.gz CLURDJSGQRNZIS-DLBZAZTESA-N 1 1 328.416 0.882 50 0 ECAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1)c1ccco1 ZINC000257366187 436877276 /nfs/dbraw/zinc/87/72/76/436877276.db2.gz MLIJFGBHRYPIKM-PRXAMGSTSA-N 1 1 348.403 0.767 50 0 ECAAMO O=C1C[C@@H](C[NH+]2CCN(Cc3nc[nH]n3)CC2)CN1c1ccccc1 ZINC000299755001 437109769 /nfs/dbraw/zinc/10/97/69/437109769.db2.gz BHKBUPUXUKBKRH-HNNXBMFYSA-N 1 1 340.431 0.975 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(c3nc4c(cnn4C)c(N)n3)CC2)cn1 ZINC000278294620 437301055 /nfs/dbraw/zinc/30/10/55/437301055.db2.gz GKEQGBNBTACJBR-UHFFFAOYSA-N 1 1 341.423 0.391 50 0 ECAAMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 ZINC000329526966 437380525 /nfs/dbraw/zinc/38/05/25/437380525.db2.gz HQYZUCMFIIRBRP-LSDHHAIUSA-N 1 1 342.403 0.598 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CC2CCCC2)C1 ZINC000360229111 437561489 /nfs/dbraw/zinc/56/14/89/437561489.db2.gz YZYNERVNJKLKCR-AWEZNQCLSA-N 1 1 331.482 0.683 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)c(C)n2n1 ZINC000416292278 437904794 /nfs/dbraw/zinc/90/47/94/437904794.db2.gz IPOJSJCOSKBCTE-OLZOCXBDSA-N 1 1 331.420 0.873 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)c(C)n2n1 ZINC000416292278 437904797 /nfs/dbraw/zinc/90/47/97/437904797.db2.gz IPOJSJCOSKBCTE-OLZOCXBDSA-N 1 1 331.420 0.873 50 0 ECAAMO CCn1ncc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)c1C ZINC000426395136 438058011 /nfs/dbraw/zinc/05/80/11/438058011.db2.gz GKKZRPLDFCHWNC-ZDUSSCGKSA-N 1 1 346.435 0.365 50 0 ECAAMO Cc1[nH]nc2c1CN(C(=O)Cn1ccc([C@@H]3CCC[NH2+]C3)n1)CC2 ZINC000426545232 438064985 /nfs/dbraw/zinc/06/49/85/438064985.db2.gz WWQXRKJTKVTGLH-CYBMUJFWSA-N 1 1 328.420 0.967 50 0 ECAAMO CCn1cncc1CNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426536201 438065916 /nfs/dbraw/zinc/06/59/16/438065916.db2.gz AAYUDYJHQPVYAQ-GFCCVEGCSA-N 1 1 332.408 0.057 50 0 ECAAMO CCS(=O)(=O)N(C)C1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408522575 438582489 /nfs/dbraw/zinc/58/24/89/438582489.db2.gz BJSZISMKRLOKAC-GJZGRUSLSA-N 1 1 347.525 0.842 50 0 ECAAMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000408521684 438582861 /nfs/dbraw/zinc/58/28/61/438582861.db2.gz SPOXPEVJZIPVNF-UYSNPLJNSA-N 1 1 331.416 0.755 50 0 ECAAMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000583652305 439494503 /nfs/dbraw/zinc/49/45/03/439494503.db2.gz FNKWUSUDUDCGIE-ZDUSSCGKSA-N 1 1 330.454 0.426 50 0 ECAAMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000583652305 439494509 /nfs/dbraw/zinc/49/45/09/439494509.db2.gz FNKWUSUDUDCGIE-ZDUSSCGKSA-N 1 1 330.454 0.426 50 0 ECAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](C)C2)CC1 ZINC000334007493 320929049 /nfs/dbraw/zinc/92/90/49/320929049.db2.gz BCZJZYRRPZAXSF-ZFWWWQNUSA-N 1 1 340.468 0.844 50 0 ECAAMO CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000084671352 545713866 /nfs/dbraw/zinc/71/38/66/545713866.db2.gz LNCSOOSXGWXDQG-CQSZACIVSA-N 1 1 345.407 0.662 50 0 ECAAMO COCCn1cncc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000244852705 545935945 /nfs/dbraw/zinc/93/59/45/545935945.db2.gz UXDWKZIKUAVUKB-OAHLLOKOSA-N 1 1 336.436 0.600 50 0 ECAAMO COc1cccc(C)c1C(=O)N1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000670468549 548017092 /nfs/dbraw/zinc/01/70/92/548017092.db2.gz UNQDFDWDQJCYGA-GJZGRUSLSA-N 1 1 333.432 0.436 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000178151748 608949508 /nfs/dbraw/zinc/94/95/08/608949508.db2.gz VLPBOBJUCXANDD-KRWDZBQOSA-N 1 1 345.443 0.968 50 0 ECAAMO COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000169756838 609745126 /nfs/dbraw/zinc/74/51/26/609745126.db2.gz QWGIKYPOHDFKBH-TXEJJXNPSA-N 1 1 334.372 0.759 50 0 ECAAMO O=C(c1cncc(NCC[N@@H+]2CCCC[C@@H]2CO)n1)N1CCOCC1 ZINC000952973575 612139005 /nfs/dbraw/zinc/13/90/05/612139005.db2.gz JLPOWYXDNCRBPO-CQSZACIVSA-N 1 1 349.435 0.208 50 0 ECAAMO CN(C)c1cc[nH+]c(N2CCC[C@H](CNC(=O)c3cncn3C)C2)n1 ZINC000952983401 612139752 /nfs/dbraw/zinc/13/97/52/612139752.db2.gz DKDXHNBUNSPTKV-CYBMUJFWSA-N 1 1 343.435 0.923 50 0 ECAAMO Cc1nncn1CC[N@@H+](C)CCNc1cc([C@@H]2CCOC2)ncn1 ZINC000299793872 742119485 /nfs/dbraw/zinc/11/94/85/742119485.db2.gz HYYJMURPYQTNMF-CQSZACIVSA-N 1 1 331.424 0.924 50 0 ECAAMO Cn1ccnc1[C@@H](NC(=O)C[N@H+]1CC[C@H](C(N)=O)C1)c1ccccc1 ZINC000052960965 214157592 /nfs/dbraw/zinc/15/75/92/214157592.db2.gz YFBWMESBNHIIKV-HOCLYGCPSA-N 1 1 341.415 0.433 50 0 ECAAMO CC(C)Cc1noc(CN(C)C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000055053562 214267704 /nfs/dbraw/zinc/26/77/04/214267704.db2.gz PUJMAEZOEXEKJS-GFCCVEGCSA-N 1 1 337.424 0.424 50 0 ECAAMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(O)CC1 ZINC000049967983 214038611 /nfs/dbraw/zinc/03/86/11/214038611.db2.gz MSVDSVPCRTVILT-MRXNPFEDSA-N 1 1 332.400 0.570 50 0 ECAAMO C[NH+]1CCN(NC(=O)CN2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000049380717 214003553 /nfs/dbraw/zinc/00/35/53/214003553.db2.gz RTKWWBQTIXNHGC-UHFFFAOYSA-N 1 1 335.383 0.346 50 0 ECAAMO CCn1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225206 210146238 /nfs/dbraw/zinc/14/62/38/210146238.db2.gz JVPTYZAZKTYKAM-TXEJJXNPSA-N 1 1 333.436 0.932 50 0 ECAAMO CCn1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225206 210146242 /nfs/dbraw/zinc/14/62/42/210146242.db2.gz JVPTYZAZKTYKAM-TXEJJXNPSA-N 1 1 333.436 0.932 50 0 ECAAMO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000101871689 219169119 /nfs/dbraw/zinc/16/91/19/219169119.db2.gz XGTYMRVVPYRYIV-MRXNPFEDSA-N 1 1 347.463 0.794 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067755247 215202682 /nfs/dbraw/zinc/20/26/82/215202682.db2.gz FFGLKXMJDIASKA-CYBMUJFWSA-N 1 1 336.436 0.845 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc(=O)n(CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000069153655 215364708 /nfs/dbraw/zinc/36/47/08/215364708.db2.gz FUEUUKZCBZBZKA-ZDUSSCGKSA-N 1 1 327.450 0.973 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000040458865 213306553 /nfs/dbraw/zinc/30/65/53/213306553.db2.gz WIPOKWCYRQPRPD-QGZVFWFLSA-N 1 1 345.443 0.874 50 0 ECAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000040107860 213266963 /nfs/dbraw/zinc/26/69/63/213266963.db2.gz RYYMRIHADKVROB-INIZCTEOSA-N 1 1 331.416 0.869 50 0 ECAAMO Cc1ccn2c(=O)cc(C[N@@H+]3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)nc2c1 ZINC000072152037 216040999 /nfs/dbraw/zinc/04/09/99/216040999.db2.gz LSSHQZOVHVAFOQ-XRGAULLZSA-N 1 1 329.400 0.567 50 0 ECAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(CC(N)=O)C2)CC1 ZINC000072154692 216044072 /nfs/dbraw/zinc/04/40/72/216044072.db2.gz PWRNYYCUNKASMU-HNNXBMFYSA-N 1 1 332.448 0.767 50 0 ECAAMO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000072241104 216079626 /nfs/dbraw/zinc/07/96/26/216079626.db2.gz MTOJZGGXLKFGRV-INIZCTEOSA-N 1 1 349.431 0.918 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)cn1 ZINC000072279810 216108422 /nfs/dbraw/zinc/10/84/22/216108422.db2.gz IJSDQIDNVUFCIW-UHFFFAOYSA-N 1 1 341.415 0.867 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)cn1 ZINC000072279810 216108425 /nfs/dbraw/zinc/10/84/25/216108425.db2.gz IJSDQIDNVUFCIW-UHFFFAOYSA-N 1 1 341.415 0.867 50 0 ECAAMO CC[N@H+]1CCC[C@H](C(=O)N2CCc3ncnc(NCCO)c3CC2)C1 ZINC000072433870 216227663 /nfs/dbraw/zinc/22/76/63/216227663.db2.gz SFOQJIVTOPVBNS-AWEZNQCLSA-N 1 1 347.463 0.540 50 0 ECAAMO O=C(NCCCn1nnc2ccccc21)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072458204 216243577 /nfs/dbraw/zinc/24/35/77/216243577.db2.gz UHYYDWNYLNWRHX-OAHLLOKOSA-N 1 1 325.376 0.548 50 0 ECAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000023252182 212365327 /nfs/dbraw/zinc/36/53/27/212365327.db2.gz OKTXSBOEHZIYKE-QGZVFWFLSA-N 1 1 333.432 0.196 50 0 ECAAMO C[C@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000022943306 212338067 /nfs/dbraw/zinc/33/80/67/212338067.db2.gz JYIPOAJTMKZUQJ-AWEZNQCLSA-N 1 1 349.431 0.245 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133585 216572396 /nfs/dbraw/zinc/57/23/96/216572396.db2.gz DWFCZAWXCKMNJV-SJORKVTESA-N 1 1 347.463 0.854 50 0 ECAAMO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000022593014 212307752 /nfs/dbraw/zinc/30/77/52/212307752.db2.gz VWFXURSKTSDKTC-NVXWUHKLSA-N 1 1 347.459 0.711 50 0 ECAAMO C[C@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544868 242174497 /nfs/dbraw/zinc/17/44/97/242174497.db2.gz SFNAQUCZIJPDCQ-GOEBONIOSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCN1C[C@@H](O)c1ccccc1 ZINC000229544868 242174506 /nfs/dbraw/zinc/17/45/06/242174506.db2.gz SFNAQUCZIJPDCQ-GOEBONIOSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1C[C@@H](O)c1ccccc1 ZINC000229544868 242174510 /nfs/dbraw/zinc/17/45/10/242174510.db2.gz SFNAQUCZIJPDCQ-GOEBONIOSA-N 1 1 341.477 0.405 50 0 ECAAMO CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)nn1 ZINC000230163532 242241700 /nfs/dbraw/zinc/24/17/00/242241700.db2.gz MLGJBMJMLQWTNP-ZIAGYGMSSA-N 1 1 333.436 0.864 50 0 ECAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795467 242200039 /nfs/dbraw/zinc/20/00/39/242200039.db2.gz ZNXUSPBSDMRNQO-MCIONIFRSA-N 1 1 346.497 0.281 50 0 ECAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795467 242200044 /nfs/dbraw/zinc/20/00/44/242200044.db2.gz ZNXUSPBSDMRNQO-MCIONIFRSA-N 1 1 346.497 0.281 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000244788046 243081415 /nfs/dbraw/zinc/08/14/15/243081415.db2.gz QIGGMMUSXKWRFP-AWEZNQCLSA-N 1 1 348.451 0.120 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000244788046 243081420 /nfs/dbraw/zinc/08/14/20/243081420.db2.gz QIGGMMUSXKWRFP-AWEZNQCLSA-N 1 1 348.451 0.120 50 0 ECAAMO Cc1cccn2c(=O)cc(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)nc12 ZINC000247061997 243363006 /nfs/dbraw/zinc/36/30/06/243363006.db2.gz FZMJLPQCOCJHIP-CABCVRRESA-N 1 1 330.432 0.890 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCNC3=O)C2=O)cc1 ZINC000019848531 212075645 /nfs/dbraw/zinc/07/56/45/212075645.db2.gz WTOWAUXVBGYRCO-KBPBESRZSA-N 1 1 331.372 0.585 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 ZINC000019813147 212070915 /nfs/dbraw/zinc/07/09/15/212070915.db2.gz QAPGWXFZILMPMS-UHFFFAOYSA-N 1 1 329.397 0.366 50 0 ECAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccs1 ZINC000019537865 212040518 /nfs/dbraw/zinc/04/05/18/212040518.db2.gz MGNZFECNWZXYJM-UHFFFAOYSA-N 1 1 336.417 0.433 50 0 ECAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccs1 ZINC000019537865 212040520 /nfs/dbraw/zinc/04/05/20/212040520.db2.gz MGNZFECNWZXYJM-UHFFFAOYSA-N 1 1 336.417 0.433 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCCCNC3=O)C2=O)cc1 ZINC000019533479 212039619 /nfs/dbraw/zinc/03/96/19/212039619.db2.gz XOOGBNBOJXIBTL-HUUCEWRRSA-N 1 1 345.399 0.976 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000078231778 217031535 /nfs/dbraw/zinc/03/15/35/217031535.db2.gz FZDDPFCMTWNQGL-HNNXBMFYSA-N 1 1 344.415 0.362 50 0 ECAAMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)C(=O)N1CCCC1 ZINC000069702883 299428242 /nfs/dbraw/zinc/42/82/42/299428242.db2.gz NXKBZEJLOCFUAX-KKUMJFAQSA-N 1 1 343.493 0.238 50 0 ECAAMO C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)CN1CC[NH+](C)CC1 ZINC000078394492 217046815 /nfs/dbraw/zinc/04/68/15/217046815.db2.gz GOGIRHFCQIJCPQ-AWEZNQCLSA-N 1 1 343.431 0.308 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000089938421 217889448 /nfs/dbraw/zinc/88/94/48/217889448.db2.gz YUPSEPOJMSRVNV-SNVBAGLBSA-N 1 1 343.387 0.196 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000089938421 217889449 /nfs/dbraw/zinc/88/94/49/217889449.db2.gz YUPSEPOJMSRVNV-SNVBAGLBSA-N 1 1 343.387 0.196 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H]1CO ZINC000091451906 218008027 /nfs/dbraw/zinc/00/80/27/218008027.db2.gz LJOCFGCPTFZGGK-CHWSQXEVSA-N 1 1 342.386 0.960 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)C[C@@H]1CO ZINC000091585684 218024797 /nfs/dbraw/zinc/02/47/97/218024797.db2.gz XZAARZMJZVILIO-VXGBXAGGSA-N 1 1 342.823 0.650 50 0 ECAAMO Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)sc1Cl ZINC000091587052 218027370 /nfs/dbraw/zinc/02/73/70/218027370.db2.gz LDMSEUZAAYEQLU-JTQLQIEISA-N 1 1 344.868 0.961 50 0 ECAAMO CCS(=O)(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091595440 218029662 /nfs/dbraw/zinc/02/96/62/218029662.db2.gz NGZUHWLDBDDYOJ-INIZCTEOSA-N 1 1 343.493 0.745 50 0 ECAAMO CCS(=O)(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091595440 218029663 /nfs/dbraw/zinc/02/96/63/218029663.db2.gz NGZUHWLDBDDYOJ-INIZCTEOSA-N 1 1 343.493 0.745 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1CO ZINC000091768751 218062575 /nfs/dbraw/zinc/06/25/75/218062575.db2.gz SZUNYPBTMJEDQM-ZIAGYGMSSA-N 1 1 349.456 0.901 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(Nc3ccccn3)CC2)C1 ZINC000091770369 218063451 /nfs/dbraw/zinc/06/34/51/218063451.db2.gz ZRUMSFHAOAJKPK-AWEZNQCLSA-N 1 1 345.447 0.682 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC(C)(C)[C@@](C)(O)C1 ZINC000091779174 218064305 /nfs/dbraw/zinc/06/43/05/218064305.db2.gz GRPJYFCVWXDXNF-SFHVURJKSA-N 1 1 347.463 0.770 50 0 ECAAMO Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)nn2C ZINC000091820231 218071954 /nfs/dbraw/zinc/07/19/54/218071954.db2.gz WFARAAJEQLQUGZ-CYBMUJFWSA-N 1 1 343.431 0.695 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCCc2cn[nH]c2)C[C@]12CCNC(=O)CC2 ZINC000095377818 218310465 /nfs/dbraw/zinc/31/04/65/218310465.db2.gz ALEBWSWLKRZDET-KRWDZBQOSA-N 1 1 333.436 0.545 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000069894836 285040433 /nfs/dbraw/zinc/04/04/33/285040433.db2.gz FCCDONNNIRHFGO-HNNXBMFYSA-N 1 1 349.460 0.969 50 0 ECAAMO Cc1[nH+]ccn1CCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000299792140 258097639 /nfs/dbraw/zinc/09/76/39/258097639.db2.gz FAQHLFWGPDRATF-UHFFFAOYSA-N 1 1 342.403 0.424 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cccc3nsnc32)C1 ZINC000055060693 258061198 /nfs/dbraw/zinc/06/11/98/258061198.db2.gz HBOBPCDCRVSUBP-NSHDSACASA-N 1 1 333.417 0.505 50 0 ECAAMO CCCC[N@H+]1CCn2nc(CNC(=O)CNC(=O)N(C)C)cc2C1 ZINC000299756559 258075051 /nfs/dbraw/zinc/07/50/51/258075051.db2.gz HELWHSLBRGPPLB-UHFFFAOYSA-N 1 1 336.440 0.386 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000299759484 258076943 /nfs/dbraw/zinc/07/69/43/258076943.db2.gz SKOSEVYODLHPLZ-HNNXBMFYSA-N 1 1 332.452 0.199 50 0 ECAAMO CNC(=O)c1cc(NC(=O)NC[C@@H]2COCC[N@@H+](C)C2)ccc1F ZINC000096137888 277255812 /nfs/dbraw/zinc/25/58/12/277255812.db2.gz UZHQZZCDPVRIBJ-NSHDSACASA-N 1 1 338.383 0.885 50 0 ECAAMO Cc1ccc2nsnc2c1S(=O)(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000065504924 281174877 /nfs/dbraw/zinc/17/48/77/281174877.db2.gz DQTANRCSDSERLH-ZJUUUORDSA-N 1 1 342.446 0.343 50 0 ECAAMO Cc1ccc2nsnc2c1S(=O)(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000065504924 281174879 /nfs/dbraw/zinc/17/48/79/281174879.db2.gz DQTANRCSDSERLH-ZJUUUORDSA-N 1 1 342.446 0.343 50 0 ECAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)Cn2nnnc2N)C1 ZINC000243901150 281366378 /nfs/dbraw/zinc/36/63/78/281366378.db2.gz AYTYNSLHVCGVAF-CYBMUJFWSA-N 1 1 329.408 0.169 50 0 ECAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)Cn2nnnc2N)C1 ZINC000243901152 281391990 /nfs/dbraw/zinc/39/19/90/281391990.db2.gz AYTYNSLHVCGVAF-ZDUSSCGKSA-N 1 1 329.408 0.169 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)CCNCC(F)(F)F)CC2)cn1 ZINC000069737713 435962883 /nfs/dbraw/zinc/96/28/83/435962883.db2.gz ZJYNSWMIAZOCHJ-UHFFFAOYSA-N 1 1 347.385 0.996 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)CCNCC(F)(F)F)CC2)cn1 ZINC000069737713 435962888 /nfs/dbraw/zinc/96/28/88/435962888.db2.gz ZJYNSWMIAZOCHJ-UHFFFAOYSA-N 1 1 347.385 0.996 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2nnnn2-c2ccccc2)CC1 ZINC000069779013 435966502 /nfs/dbraw/zinc/96/65/02/435966502.db2.gz HCAXXVSXRGKUAT-CQSZACIVSA-N 1 1 344.419 0.120 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000069817766 435967579 /nfs/dbraw/zinc/96/75/79/435967579.db2.gz HPVYXCHPWCYIIP-INIZCTEOSA-N 1 1 335.452 0.856 50 0 ECAAMO CS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000069814469 435969843 /nfs/dbraw/zinc/96/98/43/435969843.db2.gz LWUHSPBKSHCOQN-CQSZACIVSA-N 1 1 325.434 0.433 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000069878253 435973559 /nfs/dbraw/zinc/97/35/59/435973559.db2.gz DLWYWOHDIUNPOQ-CYBMUJFWSA-N 1 1 345.403 0.589 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000069898248 435974269 /nfs/dbraw/zinc/97/42/69/435974269.db2.gz KGRGWQAZBCWVHQ-LSDHHAIUSA-N 1 1 334.420 0.059 50 0 ECAAMO CCN(CC)c1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000069876023 435975401 /nfs/dbraw/zinc/97/54/01/435975401.db2.gz KBYRPVHDHIQMLE-HNNXBMFYSA-N 1 1 347.463 0.997 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000069921048 435976503 /nfs/dbraw/zinc/97/65/03/435976503.db2.gz PLGMRKWGDCSDER-HOTGVXAUSA-N 1 1 336.432 0.996 50 0 ECAAMO C[C@@H](O)CN1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000070037023 435983406 /nfs/dbraw/zinc/98/34/06/435983406.db2.gz AHISNTMKSFZAHV-ZBFHGGJFSA-N 1 1 326.412 0.702 50 0 ECAAMO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000069632876 435954662 /nfs/dbraw/zinc/95/46/62/435954662.db2.gz ICBZIVFIVZKJDT-CQSZACIVSA-N 1 1 334.420 0.345 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000071793575 436014135 /nfs/dbraw/zinc/01/41/35/436014135.db2.gz XIBVDNWGLQEAJE-UHFFFAOYSA-N 1 1 333.436 0.430 50 0 ECAAMO COc1cccc(COCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000071851667 436017506 /nfs/dbraw/zinc/01/75/06/436017506.db2.gz AATNYMBROJLHLB-UHFFFAOYSA-N 1 1 335.404 0.278 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000071871183 436022341 /nfs/dbraw/zinc/02/23/41/436022341.db2.gz FCVUGNUELROTEV-LLVKDONJSA-N 1 1 347.337 0.392 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000071881755 436025247 /nfs/dbraw/zinc/02/52/47/436025247.db2.gz DXESDQUOHQRLSW-HNNXBMFYSA-N 1 1 334.416 0.915 50 0 ECAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1NCCc2nc[nH]c21 ZINC000072426764 436045650 /nfs/dbraw/zinc/04/56/50/436045650.db2.gz TUSVGJWAVMPRIE-INIZCTEOSA-N 1 1 347.463 0.748 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000014199271 436071557 /nfs/dbraw/zinc/07/15/57/436071557.db2.gz GZMSAKXFRPFPOV-UHFFFAOYSA-N 1 1 344.415 0.493 50 0 ECAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587576 436094426 /nfs/dbraw/zinc/09/44/26/436094426.db2.gz BFOJSHYBSQQOFS-LBPRGKRZSA-N 1 1 344.415 0.678 50 0 ECAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587576 436094428 /nfs/dbraw/zinc/09/44/28/436094428.db2.gz BFOJSHYBSQQOFS-LBPRGKRZSA-N 1 1 344.415 0.678 50 0 ECAAMO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000076058761 436187711 /nfs/dbraw/zinc/18/77/11/436187711.db2.gz WRBZXPVECXJDNP-PXAZEXFGSA-N 1 1 348.403 0.548 50 0 ECAAMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000077342613 436234088 /nfs/dbraw/zinc/23/40/88/436234088.db2.gz MGIUVGXVDLSKHM-GXTWGEPZSA-N 1 1 330.367 0.642 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000029976214 436213657 /nfs/dbraw/zinc/21/36/57/436213657.db2.gz YLAPDKVICFSGIZ-SNVBAGLBSA-N 1 1 342.421 0.173 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2n1 ZINC000078789114 436278570 /nfs/dbraw/zinc/27/85/70/436278570.db2.gz MKEASNCTBPQCHZ-GJZGRUSLSA-N 1 1 329.404 0.709 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000078896236 436282053 /nfs/dbraw/zinc/28/20/53/436282053.db2.gz GKGOOTODVIHGNC-GDBMZVCRSA-N 1 1 345.509 0.296 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000078896236 436282057 /nfs/dbraw/zinc/28/20/57/436282057.db2.gz GKGOOTODVIHGNC-GDBMZVCRSA-N 1 1 345.509 0.296 50 0 ECAAMO Cc1ccc(=O)n(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000044394663 436342193 /nfs/dbraw/zinc/34/21/93/436342193.db2.gz BGNUWWRVVFEHOL-UHFFFAOYSA-N 1 1 340.427 0.939 50 0 ECAAMO CN1CC[NH+](C(C)(C)CNC(=O)Cn2nnc3ccccc32)CC1 ZINC000042543289 436306243 /nfs/dbraw/zinc/30/62/43/436306243.db2.gz ADBWAWYTLPHZLD-UHFFFAOYSA-N 1 1 330.436 0.574 50 0 ECAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000043305248 436330213 /nfs/dbraw/zinc/33/02/13/436330213.db2.gz DIVBUGJSUFKWEY-CABCVRRESA-N 1 1 325.453 0.814 50 0 ECAAMO COCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114875 436361314 /nfs/dbraw/zinc/36/13/14/436361314.db2.gz OQYIMNTXOKSZPO-OAHLLOKOSA-N 1 1 337.464 0.958 50 0 ECAAMO CCCS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230478 436362958 /nfs/dbraw/zinc/36/29/58/436362958.db2.gz ZBFLVUBIJCSANM-UHFFFAOYSA-N 1 1 339.465 0.939 50 0 ECAAMO NC(=O)CC[N@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000082161422 436363080 /nfs/dbraw/zinc/36/30/80/436363080.db2.gz OEOTVTOMGSQDHY-UHFFFAOYSA-N 1 1 333.436 0.519 50 0 ECAAMO O=C(CCn1cc(Br)cn1)N1CC[NH+](CCO)CC1 ZINC000084335650 436379044 /nfs/dbraw/zinc/37/90/44/436379044.db2.gz ANSROHGEAFXWEA-UHFFFAOYSA-N 1 1 331.214 0.172 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000048288808 436447726 /nfs/dbraw/zinc/44/77/26/436447726.db2.gz YLPKPYDGKLBOFF-UHFFFAOYSA-N 1 1 341.415 0.813 50 0 ECAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)c3ccccn3)C2)CC1 ZINC000091320661 436449233 /nfs/dbraw/zinc/44/92/33/436449233.db2.gz LFHLULHDNZAPNF-SJORKVTESA-N 1 1 346.475 0.790 50 0 ECAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccccn3)C2)CC1 ZINC000091320661 436449237 /nfs/dbraw/zinc/44/92/37/436449237.db2.gz LFHLULHDNZAPNF-SJORKVTESA-N 1 1 346.475 0.790 50 0 ECAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccccn3)C2)CC1 ZINC000091320661 436449239 /nfs/dbraw/zinc/44/92/39/436449239.db2.gz LFHLULHDNZAPNF-SJORKVTESA-N 1 1 346.475 0.790 50 0 ECAAMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)cn1 ZINC000091645067 436456427 /nfs/dbraw/zinc/45/64/27/436456427.db2.gz AUXZZXQJWGJLSQ-GOSISDBHSA-N 1 1 332.448 0.954 50 0 ECAAMO O=C(CCc1ccccn1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091793121 436460793 /nfs/dbraw/zinc/46/07/93/436460793.db2.gz CJZYIXOUGFSIRA-IAGOWNOFSA-N 1 1 347.459 0.803 50 0 ECAAMO CC(=O)N(Cc1ncc(C)o1)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089702319 436415773 /nfs/dbraw/zinc/41/57/73/436415773.db2.gz VBKDWXIOLMYTAC-CVEARBPZSA-N 1 1 347.419 0.663 50 0 ECAAMO CC(C)[C@H](CNC(=O)NCc1nnc2ccccn21)[NH+]1CCOCC1 ZINC000089791377 436418305 /nfs/dbraw/zinc/41/83/05/436418305.db2.gz JNDZHIPJOYPSTI-AWEZNQCLSA-N 1 1 346.435 0.885 50 0 ECAAMO CCN1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000047458713 436420219 /nfs/dbraw/zinc/42/02/19/436420219.db2.gz RJSZGQSTVBBRHM-INIZCTEOSA-N 1 1 344.459 0.793 50 0 ECAAMO COc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000089937711 436422246 /nfs/dbraw/zinc/42/22/46/436422246.db2.gz BPQRPMKIDMRVSR-VUDGCMKMSA-N 1 1 347.415 0.735 50 0 ECAAMO CCC[N@H+](C[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089958859 436423981 /nfs/dbraw/zinc/42/39/81/436423981.db2.gz MRECTLVGAAMHGD-CVEARBPZSA-N 1 1 332.510 0.978 50 0 ECAAMO CCC[N@@H+](C[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089958859 436423984 /nfs/dbraw/zinc/42/39/84/436423984.db2.gz MRECTLVGAAMHGD-CVEARBPZSA-N 1 1 332.510 0.978 50 0 ECAAMO O=C([O-])[C@@]12C[NH+](C3CCOCC3)C[C@@H]1C[N@H+](CCCn1ccnc1)C2 ZINC000096164099 436517428 /nfs/dbraw/zinc/51/74/28/436517428.db2.gz CSFWIOWHLYUKGA-YJBOKZPZSA-N 1 1 348.447 0.771 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCCn3ccnc3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096164099 436517432 /nfs/dbraw/zinc/51/74/32/436517432.db2.gz CSFWIOWHLYUKGA-YJBOKZPZSA-N 1 1 348.447 0.771 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCCn3ccnc3)C[C@H]1C[N@H+](C1CCOCC1)C2 ZINC000096164099 436517437 /nfs/dbraw/zinc/51/74/37/436517437.db2.gz CSFWIOWHLYUKGA-YJBOKZPZSA-N 1 1 348.447 0.771 50 0 ECAAMO Cc1cc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)nc(N(C)C)n1 ZINC000095530148 436500190 /nfs/dbraw/zinc/50/01/90/436500190.db2.gz LJSULGNZVGMTDH-OAHLLOKOSA-N 1 1 335.452 0.825 50 0 ECAAMO C[NH+]1CCN(c2ncc(CNc3ccccc3CC(N)=O)cn2)CC1 ZINC000096482775 436533338 /nfs/dbraw/zinc/53/33/38/436533338.db2.gz SIDSOQXWXKLWCV-UHFFFAOYSA-N 1 1 340.431 0.868 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cnc(-c2ccncc2)nc1 ZINC000097213235 436542038 /nfs/dbraw/zinc/54/20/38/436542038.db2.gz KLKPICOFBILJOX-CQSZACIVSA-N 1 1 341.415 0.973 50 0 ECAAMO CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC[NH+]2CC=CC2)c1 ZINC000101282455 436548850 /nfs/dbraw/zinc/54/88/50/436548850.db2.gz FCJKJVGONBRYIJ-UHFFFAOYSA-N 1 1 341.408 0.726 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000106117673 436590029 /nfs/dbraw/zinc/59/00/29/436590029.db2.gz LEOJEJLWOHUBQG-UKRRQHHQSA-N 1 1 347.390 0.693 50 0 ECAAMO Cc1cccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000065362345 301997186 /nfs/dbraw/zinc/99/71/86/301997186.db2.gz SHOBFBLZFMQTQZ-AWEZNQCLSA-N 1 1 339.461 0.924 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCOc2cccc3cccnc32)C1 ZINC000065406884 436660374 /nfs/dbraw/zinc/66/03/74/436660374.db2.gz OBYGOPFMANWQNK-DNVCBOLYSA-N 1 1 340.427 0.881 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)CSc2nc3ccccc3c(=O)[nH]2)C[C@H]1CO ZINC000065381564 436655185 /nfs/dbraw/zinc/65/51/85/436655185.db2.gz PRVOJVWHRHQKPD-MNOVXSKESA-N 1 1 348.428 0.609 50 0 ECAAMO COC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2C=CS(=O)(=O)C2)cc1 ZINC000065382463 436655517 /nfs/dbraw/zinc/65/55/17/436655517.db2.gz HWUREIWSGYIORX-ZDUSSCGKSA-N 1 1 338.385 0.702 50 0 ECAAMO Cc1nc(CCNc2nc(N3CCC[C@H](O)C3)cc[nH+]2)cc(=O)[nH]1 ZINC000065399054 436657546 /nfs/dbraw/zinc/65/75/46/436657546.db2.gz DCGNWNDXLRUUCI-ZDUSSCGKSA-N 1 1 330.392 0.484 50 0 ECAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCCn3nc(C(=O)NC4CC4)cc3C2)C1 ZINC000065385071 436658185 /nfs/dbraw/zinc/65/81/85/436658185.db2.gz WZXGWMXQNMZAGO-CYBMUJFWSA-N 1 1 345.447 0.849 50 0 ECAAMO CCC(=O)N[C@@H]1CCCN(CC[N@H+]2CCC[C@@H](NC(=O)CC)C2)C1 ZINC000195530306 436693831 /nfs/dbraw/zinc/69/38/31/436693831.db2.gz JCGRMEHCWBGDMU-HZPDHXFCSA-N 1 1 338.496 0.968 50 0 ECAAMO COc1ccc(CC[NH+]2CCN(C(=O)CN(C)C(C)=O)CC2)cc1 ZINC000065532174 436667329 /nfs/dbraw/zinc/66/73/29/436667329.db2.gz XDRCBDNQNJUSRL-UHFFFAOYSA-N 1 1 333.432 0.860 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229306601 436714572 /nfs/dbraw/zinc/71/45/72/436714572.db2.gz ZJUJFGHULUYYLS-MAUKXSAKSA-N 1 1 333.480 0.837 50 0 ECAAMO CN(C)C1=NC2(CC[NH+](CC(=O)NCc3cccs3)CC2)C(=O)N1 ZINC000244900072 436760192 /nfs/dbraw/zinc/76/01/92/436760192.db2.gz ZVNBQLPJXITOQM-UHFFFAOYSA-N 1 1 349.460 0.246 50 0 ECAAMO CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000229830446 436716875 /nfs/dbraw/zinc/71/68/75/436716875.db2.gz OVHHOECLNIHIDC-CHWSQXEVSA-N 1 1 349.435 0.325 50 0 ECAAMO CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000229830446 436716877 /nfs/dbraw/zinc/71/68/77/436716877.db2.gz OVHHOECLNIHIDC-CHWSQXEVSA-N 1 1 349.435 0.325 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248769449 436810562 /nfs/dbraw/zinc/81/05/62/436810562.db2.gz OJGRMZMZHUJAKA-HUUCEWRRSA-N 1 1 344.415 0.645 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cnn(C)c2)n1 ZINC000069455864 436774578 /nfs/dbraw/zinc/77/45/78/436774578.db2.gz XMJDSDFBRINKCO-INIZCTEOSA-N 1 1 345.451 0.751 50 0 ECAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069584238 436780529 /nfs/dbraw/zinc/78/05/29/436780529.db2.gz XEBYIXSLVKKXRJ-LSDHHAIUSA-N 1 1 342.399 0.433 50 0 ECAAMO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000069562281 436780927 /nfs/dbraw/zinc/78/09/27/436780927.db2.gz NOFSOJNRUGEQMT-CQSZACIVSA-N 1 1 340.420 0.625 50 0 ECAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000069562281 436780928 /nfs/dbraw/zinc/78/09/28/436780928.db2.gz NOFSOJNRUGEQMT-CQSZACIVSA-N 1 1 340.420 0.625 50 0 ECAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000247161759 436789388 /nfs/dbraw/zinc/78/93/88/436789388.db2.gz QLLSOTCYIBQYJE-RYUDHWBXSA-N 1 1 340.449 0.371 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC000155741911 436801965 /nfs/dbraw/zinc/80/19/65/436801965.db2.gz QYQDADQACZWMIO-INIZCTEOSA-N 1 1 348.447 0.242 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1CO ZINC000253414092 436844085 /nfs/dbraw/zinc/84/40/85/436844085.db2.gz WLQRXTSPHUOESA-XJKSGUPXSA-N 1 1 338.404 0.259 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1CO ZINC000253414092 436844090 /nfs/dbraw/zinc/84/40/90/436844090.db2.gz WLQRXTSPHUOESA-XJKSGUPXSA-N 1 1 338.404 0.259 50 0 ECAAMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc[nH+]cc1Cl)C2 ZINC000253426051 436845398 /nfs/dbraw/zinc/84/53/98/436845398.db2.gz ZDGZQZQIHNXISA-UHFFFAOYSA-N 1 1 336.783 0.202 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000257188685 436857001 /nfs/dbraw/zinc/85/70/01/436857001.db2.gz GFHYSDIBXVCFRG-AEFFLSMTSA-N 1 1 347.459 0.841 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000257188685 436857003 /nfs/dbraw/zinc/85/70/03/436857003.db2.gz GFHYSDIBXVCFRG-AEFFLSMTSA-N 1 1 347.459 0.841 50 0 ECAAMO Cc1csc(CN(C)C(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000252480504 436833751 /nfs/dbraw/zinc/83/37/51/436833751.db2.gz CBEBPFTXNFDGGT-GFCCVEGCSA-N 1 1 345.490 0.919 50 0 ECAAMO Cc1csc(CN(C)C(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000252480504 436833757 /nfs/dbraw/zinc/83/37/57/436833757.db2.gz CBEBPFTXNFDGGT-GFCCVEGCSA-N 1 1 345.490 0.919 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2)o1 ZINC000252501287 436836110 /nfs/dbraw/zinc/83/61/10/436836110.db2.gz UDMMADPLBZHTLE-CYBMUJFWSA-N 1 1 336.436 0.624 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CCN(C)[C@@H]2CC[N@H+](C)C2)o1 ZINC000252501287 436836113 /nfs/dbraw/zinc/83/61/13/436836113.db2.gz UDMMADPLBZHTLE-CYBMUJFWSA-N 1 1 336.436 0.624 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CCN(C)[C@@H]2CC[N@@H+](C)C2)o1 ZINC000252501287 436836119 /nfs/dbraw/zinc/83/61/19/436836119.db2.gz UDMMADPLBZHTLE-CYBMUJFWSA-N 1 1 336.436 0.624 50 0 ECAAMO Cc1cc(N2CCC(NC(=O)N[C@H](C(N)=O)C(C)C)CC2)nc(C)[nH+]1 ZINC000135370381 436915432 /nfs/dbraw/zinc/91/54/32/436915432.db2.gz HHAMOOATARNVFE-HNNXBMFYSA-N 1 1 348.451 0.871 50 0 ECAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000257366422 436877850 /nfs/dbraw/zinc/87/78/50/436877850.db2.gz YABKYKCRJCWSGX-QPUJVOFHSA-N 1 1 338.389 0.269 50 0 ECAAMO C[N@H+](CCC(=O)N1CC(c2cccnc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299763120 437110182 /nfs/dbraw/zinc/11/01/82/437110182.db2.gz ZMJHWNUNGPDWHE-HNNXBMFYSA-N 1 1 337.445 0.516 50 0 ECAAMO C[N@@H+](CCC(=O)N1CC(c2cccnc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299763120 437110189 /nfs/dbraw/zinc/11/01/89/437110189.db2.gz ZMJHWNUNGPDWHE-HNNXBMFYSA-N 1 1 337.445 0.516 50 0 ECAAMO COc1cccc(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000175733488 437116555 /nfs/dbraw/zinc/11/65/55/437116555.db2.gz OTCIQZNUANSTFT-HIFRSBDPSA-N 1 1 334.420 0.952 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000188535921 437553855 /nfs/dbraw/zinc/55/38/55/437553855.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000188535921 437553859 /nfs/dbraw/zinc/55/38/59/437553859.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 1 1 326.485 0.956 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)CC2CCCC2)C1 ZINC000360229115 437560083 /nfs/dbraw/zinc/56/00/83/437560083.db2.gz YZYNERVNJKLKCR-CQSZACIVSA-N 1 1 331.482 0.683 50 0 ECAAMO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000330665597 437582954 /nfs/dbraw/zinc/58/29/54/437582954.db2.gz RRCRFDYTHMYXSI-OAHLLOKOSA-N 1 1 334.482 0.785 50 0 ECAAMO CN(C)C(=O)CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000331385616 437749433 /nfs/dbraw/zinc/74/94/33/437749433.db2.gz BEHWBVAJCOMHKH-UHFFFAOYSA-N 1 1 325.434 0.747 50 0 ECAAMO CN(C)C(=O)CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000331385616 437749436 /nfs/dbraw/zinc/74/94/36/437749436.db2.gz BEHWBVAJCOMHKH-UHFFFAOYSA-N 1 1 325.434 0.747 50 0 ECAAMO Cc1cc(CN(C)c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)no1 ZINC000426381838 438053202 /nfs/dbraw/zinc/05/32/02/438053202.db2.gz YEMIUWUBGYXFFE-GFCCVEGCSA-N 1 1 333.392 1.318 50 0 ECAAMO OCCNc1nc(NCCc2cccs2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426589710 438068193 /nfs/dbraw/zinc/06/81/93/438068193.db2.gz CXAVXYLQYIHNSZ-GFCCVEGCSA-N 1 1 334.445 0.945 50 0 ECAAMO CCn1cnnc1CCNC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000426712827 438071486 /nfs/dbraw/zinc/07/14/86/438071486.db2.gz VVIIBKVMIYPBLZ-UHFFFAOYSA-N 1 1 336.440 0.347 50 0 ECAAMO CCS(=O)(=O)N(C)C1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408522573 438582330 /nfs/dbraw/zinc/58/23/30/438582330.db2.gz BJSZISMKRLOKAC-GASCZTMLSA-N 1 1 347.525 0.842 50 0 ECAAMO CCS(=O)(=O)N(C)C1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408522573 438582331 /nfs/dbraw/zinc/58/23/31/438582331.db2.gz BJSZISMKRLOKAC-GASCZTMLSA-N 1 1 347.525 0.842 50 0 ECAAMO CCOc1nc(C)ccc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000585135337 439634446 /nfs/dbraw/zinc/63/44/46/439634446.db2.gz CIIMSRCEPHJJDE-UHFFFAOYSA-N 1 1 334.420 0.635 50 0 ECAAMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229526553 536853338 /nfs/dbraw/zinc/85/33/38/536853338.db2.gz BICLYRNMTIWSHB-TZMCWYRMSA-N 1 1 349.431 0.858 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000075124034 545688582 /nfs/dbraw/zinc/68/85/82/545688582.db2.gz ZWNMQZGIPKBUCC-CYBMUJFWSA-N 1 1 341.415 0.893 50 0 ECAAMO CC[C@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735738 545713480 /nfs/dbraw/zinc/71/34/80/545713480.db2.gz YGWCLCLRNFLKTL-DZGCQCFKSA-N 1 1 338.452 0.346 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735587 545713644 /nfs/dbraw/zinc/71/36/44/545713644.db2.gz XGEDIGUKMQIZGI-UWWQBHOKSA-N 1 1 337.464 0.860 50 0 ECAAMO CCCn1nc(C(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000084759103 545713921 /nfs/dbraw/zinc/71/39/21/545713921.db2.gz RIWODYNTBYPFIF-GOEBONIOSA-N 1 1 348.447 0.836 50 0 ECAAMO CCc1cc(N2CCN(S(=O)(=O)CCCOC)CC2)nc(C)[nH+]1 ZINC000180450089 545884903 /nfs/dbraw/zinc/88/49/03/545884903.db2.gz RYKUNYDSSJHABK-UHFFFAOYSA-N 1 1 342.465 0.836 50 0 ECAAMO O=C(c1cnccn1)N1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000670438586 548011620 /nfs/dbraw/zinc/01/16/20/548011620.db2.gz MNCORPFBXAPJNZ-AWEZNQCLSA-N 1 1 326.404 0.951 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@]2(CCC(=O)N(C)C2)C1 ZINC000670451574 548014586 /nfs/dbraw/zinc/01/45/86/548014586.db2.gz HDQKSICZFBKPGU-OAHLLOKOSA-N 1 1 331.482 0.602 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@]2(CCC(=O)N(C)C2)C1 ZINC000670451573 548014658 /nfs/dbraw/zinc/01/46/58/548014658.db2.gz HDQKSICZFBKPGU-HNNXBMFYSA-N 1 1 331.482 0.602 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000670463580 548017242 /nfs/dbraw/zinc/01/72/42/548017242.db2.gz FNNBGDUGVWRNCB-LBPRGKRZSA-N 1 1 338.433 0.810 50 0 ECAAMO CCc1nc(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)cc(C)[nH+]1 ZINC000685941136 549728077 /nfs/dbraw/zinc/72/80/77/549728077.db2.gz SOVLEHFAOXZJNP-YNEHKIRRSA-N 1 1 346.435 0.746 50 0 ECAAMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000585085993 586415025 /nfs/dbraw/zinc/41/50/25/586415025.db2.gz PHWQMJBRANXWJR-OAHLLOKOSA-N 1 1 333.432 0.907 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000952971116 612139447 /nfs/dbraw/zinc/13/94/47/612139447.db2.gz DEZKZDDZLYFHGF-JSGCOSHPSA-N 1 1 339.823 0.687 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCC(=O)Nc1nncs1 ZINC000952980912 612139824 /nfs/dbraw/zinc/13/98/24/612139824.db2.gz JSIBAMBWJXVQEP-QWRGUYRKSA-N 1 1 341.437 0.481 50 0 ECAAMO Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186311 214082317 /nfs/dbraw/zinc/08/23/17/214082317.db2.gz IQJLLNACZLOPIQ-UHFFFAOYSA-N 1 1 333.432 0.996 50 0 ECAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000004722291 210260384 /nfs/dbraw/zinc/26/03/84/210260384.db2.gz BDVQJBIZTIQYRP-GFCCVEGCSA-N 1 1 345.355 0.245 50 0 ECAAMO NC(=O)CN1CC[N@@H+](Cc2ccc(-c3ccco3)cc2)C[C@@H](O)C1 ZINC000097675298 219046953 /nfs/dbraw/zinc/04/69/53/219046953.db2.gz OGBVGUUCGNBOEW-MRXNPFEDSA-N 1 1 329.400 0.910 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCN(c3ncnc(C)c3C)C[C@@H](O)C2)CC1 ZINC000097717443 219050416 /nfs/dbraw/zinc/05/04/16/219050416.db2.gz XYHSMGWIUBPNFN-KRWDZBQOSA-N 1 1 347.463 0.587 50 0 ECAAMO NC(=O)CNCc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000055244362 214293503 /nfs/dbraw/zinc/29/35/03/214293503.db2.gz CWIUDDKJXPJOAN-INIZCTEOSA-N 1 1 335.448 0.877 50 0 ECAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000055393601 214317998 /nfs/dbraw/zinc/31/79/98/214317998.db2.gz FUGQWYDOHLQEMY-KRWDZBQOSA-N 1 1 345.443 0.675 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cn2ccccc2n1 ZINC000044911419 213672091 /nfs/dbraw/zinc/67/20/91/213672091.db2.gz FKVUJTOQFNQCGD-GDBMZVCRSA-N 1 1 344.415 0.801 50 0 ECAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000067946602 215256169 /nfs/dbraw/zinc/25/61/69/215256169.db2.gz UGEBATHYUYTAJK-HNNXBMFYSA-N 1 1 349.479 0.849 50 0 ECAAMO COc1ccc(CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000069327695 215378995 /nfs/dbraw/zinc/37/89/95/215378995.db2.gz PZEXZDYLJCWHAL-UHFFFAOYSA-N 1 1 346.431 0.801 50 0 ECAAMO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc4n(n3)CCNC4)CC2)O1 ZINC000072131017 216020419 /nfs/dbraw/zinc/02/04/19/216020419.db2.gz OVOUZIRNDMFXQL-QGZVFWFLSA-N 1 1 347.463 0.636 50 0 ECAAMO O=C(CCc1cc(Cl)no1)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072152477 216041322 /nfs/dbraw/zinc/04/13/22/216041322.db2.gz HQECTEHCBAJOLX-LBPRGKRZSA-N 1 1 340.811 0.683 50 0 ECAAMO Cc1nc2c(c(N3CCN(CCn4ccnc4)CC3)n1)CC[NH2+]CC2 ZINC000072419181 216207551 /nfs/dbraw/zinc/20/75/51/216207551.db2.gz NHXVXPXAPGHQMK-UHFFFAOYSA-N 1 1 341.463 0.492 50 0 ECAAMO CC(C)CC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000072441913 216235047 /nfs/dbraw/zinc/23/50/47/216235047.db2.gz XAEWKCCMJXXMJN-UHFFFAOYSA-N 1 1 346.479 0.923 50 0 ECAAMO COCCNC(=O)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022877424 212332023 /nfs/dbraw/zinc/33/20/23/212332023.db2.gz FWHDINVJJGBQBU-UHFFFAOYSA-N 1 1 334.420 0.276 50 0 ECAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)NC1CCOCC1 ZINC000075129269 216568704 /nfs/dbraw/zinc/56/87/04/216568704.db2.gz SPUAMJBETGMNPT-GOSISDBHSA-N 1 1 347.459 0.633 50 0 ECAAMO NC(=O)CC[NH+]1CCN(Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000019301086 212014435 /nfs/dbraw/zinc/01/44/35/212014435.db2.gz DTISLYJZYCGROE-UHFFFAOYSA-N 1 1 347.394 0.793 50 0 ECAAMO C[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000078557442 217076968 /nfs/dbraw/zinc/07/69/68/217076968.db2.gz GYRPBTWOLCMGPT-ZBFHGGJFSA-N 1 1 336.480 0.339 50 0 ECAAMO C[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000078557444 217077823 /nfs/dbraw/zinc/07/78/23/217077823.db2.gz GYRPBTWOLCMGPT-GDBMZVCRSA-N 1 1 336.480 0.339 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000078941617 217153441 /nfs/dbraw/zinc/15/34/41/217153441.db2.gz IAJYLNFDKGGJGL-IUODEOHRSA-N 1 1 336.484 0.513 50 0 ECAAMO COCCN1CC[C@]2(CN(c3ncccn3)CC[N@H+]2C)CCC1=O ZINC000091390904 218000270 /nfs/dbraw/zinc/00/02/70/218000270.db2.gz NUPRZVDNVLFCHB-KRWDZBQOSA-N 1 1 333.436 0.626 50 0 ECAAMO COC(=O)CCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011955868 211274743 /nfs/dbraw/zinc/27/47/43/211274743.db2.gz MXTHATJREPJWTJ-ZDUSSCGKSA-N 1 1 325.409 0.189 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000091625101 218033989 /nfs/dbraw/zinc/03/39/89/218033989.db2.gz CBPPMDFZOIOMNC-QGZVFWFLSA-N 1 1 331.420 0.714 50 0 ECAAMO COCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000011813852 211250637 /nfs/dbraw/zinc/25/06/37/211250637.db2.gz RBFZIKVKHPLELW-HNNXBMFYSA-N 1 1 325.453 0.910 50 0 ECAAMO COc1cc(F)c(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c(F)c1 ZINC000091656731 218041505 /nfs/dbraw/zinc/04/15/05/218041505.db2.gz DEHITOJVNIEJMO-CHWSQXEVSA-N 1 1 344.402 0.938 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccnc2OC)C[C@@H]1CO ZINC000091808855 218069917 /nfs/dbraw/zinc/06/99/17/218069917.db2.gz PTVXZCHVMKYDKQ-ZIAGYGMSSA-N 1 1 337.420 0.085 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2sccc2N)C[C@@H]1CO ZINC000091755715 218060576 /nfs/dbraw/zinc/06/05/76/218060576.db2.gz XBGTVNLNJQIBTO-VXGBXAGGSA-N 1 1 327.450 0.589 50 0 ECAAMO CN(CCNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C)S(C)(=O)=O ZINC000095368968 218301660 /nfs/dbraw/zinc/30/16/60/218301660.db2.gz RKJQOQHBCBKOGM-CYBMUJFWSA-N 1 1 331.413 0.436 50 0 ECAAMO CCc1ncc(CN2C[C@H](CO)[C@H](C[NH+]3CCN(CC)CC3)C2)cn1 ZINC000095384812 218317198 /nfs/dbraw/zinc/31/71/98/218317198.db2.gz WTWFIHVCYRHWDY-QZTJIDSGSA-N 1 1 347.507 0.717 50 0 ECAAMO O=C1OCCCN1CC[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095500357 218414740 /nfs/dbraw/zinc/41/47/40/218414740.db2.gz NVWVPVHXWWIBRJ-UHFFFAOYSA-N 1 1 345.407 0.754 50 0 ECAAMO CCc1c(C)cc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(=O)n1C ZINC000097463585 219025657 /nfs/dbraw/zinc/02/56/57/219025657.db2.gz LRZSRHFPLXERMW-CQSZACIVSA-N 1 1 335.448 0.833 50 0 ECAAMO Cc1nc2cc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2[nH]1 ZINC000097600983 219038832 /nfs/dbraw/zinc/03/88/32/219038832.db2.gz CSIYFHKQPKNGQP-ZDUSSCGKSA-N 1 1 329.404 0.798 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000020351686 285293822 /nfs/dbraw/zinc/29/38/22/285293822.db2.gz UACPDGXUCDIMPV-UHFFFAOYSA-N 1 1 339.461 0.612 50 0 ECAAMO CO[C@]12CC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)[C@H]1C[C@H](OCCO)CC2 ZINC000299789494 258095679 /nfs/dbraw/zinc/09/56/79/258095679.db2.gz YIEBDOZOOVROLC-DVOMOZLQSA-N 1 1 339.392 0.409 50 0 ECAAMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC000299794227 258099036 /nfs/dbraw/zinc/09/90/36/258099036.db2.gz ILFSRNDUUAQSIQ-CHWSQXEVSA-N 1 1 339.461 0.564 50 0 ECAAMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC000299794227 258099038 /nfs/dbraw/zinc/09/90/38/258099038.db2.gz ILFSRNDUUAQSIQ-CHWSQXEVSA-N 1 1 339.461 0.564 50 0 ECAAMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299802730 258105460 /nfs/dbraw/zinc/10/54/60/258105460.db2.gz WHHUYQSNYYKNLV-GJZGRUSLSA-N 1 1 330.392 0.936 50 0 ECAAMO CN1CCN(c2ncccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058316920 277115411 /nfs/dbraw/zinc/11/54/11/277115411.db2.gz LHIKRQWLMOQRBD-OAHLLOKOSA-N 1 1 341.463 0.861 50 0 ECAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095368006 277209200 /nfs/dbraw/zinc/20/92/00/277209200.db2.gz WHGWDEGUGUXVHF-HNNXBMFYSA-N 1 1 337.445 0.147 50 0 ECAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095368006 277209201 /nfs/dbraw/zinc/20/92/01/277209201.db2.gz WHGWDEGUGUXVHF-HNNXBMFYSA-N 1 1 337.445 0.147 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CCCCN2C(C)=O)CC1 ZINC000070040851 288106512 /nfs/dbraw/zinc/10/65/12/288106512.db2.gz URIKUYSDJYHQQU-HOTGVXAUSA-N 1 1 325.453 0.693 50 0 ECAAMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3c[nH]nc3C)C2)cc1 ZINC000189581317 437604014 /nfs/dbraw/zinc/60/40/14/437604014.db2.gz LSPRLRLZPVKBHS-UHFFFAOYSA-N 1 1 336.417 0.889 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000189727801 437608180 /nfs/dbraw/zinc/60/81/80/437608180.db2.gz PGWYCFUUUPEOLO-QAETUUGQSA-N 1 1 341.496 0.645 50 0 ECAAMO CN(C)S(=O)(=O)N1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000063856451 289256901 /nfs/dbraw/zinc/25/69/01/289256901.db2.gz MEKWNLVCHHOBMO-JKSUJKDBSA-N 1 1 344.525 0.675 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583103 289339274 /nfs/dbraw/zinc/33/92/74/289339274.db2.gz FSKUOCYHKMUTRH-FRRDWIJNSA-N 1 1 326.441 0.391 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583103 289339278 /nfs/dbraw/zinc/33/92/78/289339278.db2.gz FSKUOCYHKMUTRH-FRRDWIJNSA-N 1 1 326.441 0.391 50 0 ECAAMO Cc1ncc2c(n1)C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000069738301 435962304 /nfs/dbraw/zinc/96/23/04/435962304.db2.gz MGHNZZPZHQNNDA-UHFFFAOYSA-N 1 1 348.428 0.870 50 0 ECAAMO Cc1ncc2c(n1)C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000069738301 435962311 /nfs/dbraw/zinc/96/23/11/435962311.db2.gz MGHNZZPZHQNNDA-UHFFFAOYSA-N 1 1 348.428 0.870 50 0 ECAAMO O=C1CCCN1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000069770635 435966214 /nfs/dbraw/zinc/96/62/14/435966214.db2.gz SNJNMMPPPLUNSB-KRWDZBQOSA-N 1 1 347.459 0.666 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000069819527 435967857 /nfs/dbraw/zinc/96/78/57/435967857.db2.gz IMNFGSFADPGFMB-JTQLQIEISA-N 1 1 328.210 0.983 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000069814977 435969159 /nfs/dbraw/zinc/96/91/59/435969159.db2.gz MYEIPPFSSIDMCX-INIZCTEOSA-N 1 1 333.432 0.890 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000069818361 435969768 /nfs/dbraw/zinc/96/97/68/435969768.db2.gz DBYUQLLHMHQHOW-CABCVRRESA-N 1 1 331.482 0.743 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069948474 435977219 /nfs/dbraw/zinc/97/72/19/435977219.db2.gz BFBLVCORAYTCKS-LLVKDONJSA-N 1 1 328.355 0.806 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006594 435983803 /nfs/dbraw/zinc/98/38/03/435983803.db2.gz SLPIDXHEIDQFRP-AWEZNQCLSA-N 1 1 331.420 0.562 50 0 ECAAMO COc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000069627853 435954144 /nfs/dbraw/zinc/95/41/44/435954144.db2.gz BJWDYUBYOQRPIH-HUUCEWRRSA-N 1 1 335.448 0.698 50 0 ECAAMO COc1ccc([C@@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000069665593 435955968 /nfs/dbraw/zinc/95/59/68/435955968.db2.gz OAUOCDHNRKNYHW-SFHVURJKSA-N 1 1 347.459 0.969 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069659584 435956604 /nfs/dbraw/zinc/95/66/04/435956604.db2.gz ASCLKMRBDLZUJH-JTQLQIEISA-N 1 1 342.421 0.173 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccn3)C2)CC1 ZINC000071752004 436011012 /nfs/dbraw/zinc/01/10/12/436011012.db2.gz GYNPEPVIXOCYTF-GJZGRUSLSA-N 1 1 346.431 0.378 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccccn3)C2)CC1 ZINC000071752004 436011020 /nfs/dbraw/zinc/01/10/20/436011020.db2.gz GYNPEPVIXOCYTF-GJZGRUSLSA-N 1 1 346.431 0.378 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000071881106 436023504 /nfs/dbraw/zinc/02/35/04/436023504.db2.gz NOSGVQATFUJMEQ-INIZCTEOSA-N 1 1 329.404 0.796 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000072234551 436037872 /nfs/dbraw/zinc/03/78/72/436037872.db2.gz FOPDIDDFAHHVNM-KGLIPLIRSA-N 1 1 334.420 0.022 50 0 ECAAMO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccccc3F)CN2C1=O ZINC000014733719 436076903 /nfs/dbraw/zinc/07/69/03/436076903.db2.gz DIHYNUMXEFKUTQ-BPUTZDHNSA-N 1 1 348.422 0.512 50 0 ECAAMO Cn1ncc2c1ncnc2NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000024204595 436132799 /nfs/dbraw/zinc/13/27/99/436132799.db2.gz HAMKESHSILXPBB-GXTWGEPZSA-N 1 1 332.408 0.513 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000075121880 436151209 /nfs/dbraw/zinc/15/12/09/436151209.db2.gz OUWFUBLWYMGTBK-CYBMUJFWSA-N 1 1 341.415 0.893 50 0 ECAAMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000025300726 436151190 /nfs/dbraw/zinc/15/11/90/436151190.db2.gz VGNWFCLSENMWDN-KRWDZBQOSA-N 1 1 347.459 0.631 50 0 ECAAMO CN(C)c1nc(N)nc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000027271471 436173868 /nfs/dbraw/zinc/17/38/68/436173868.db2.gz ULWYCSLKOZKDTQ-UHFFFAOYSA-N 1 1 327.436 0.838 50 0 ECAAMO CCN(C(=O)C[N@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C1CC1 ZINC000076055353 436187873 /nfs/dbraw/zinc/18/78/73/436187873.db2.gz BNXUKWONGCVBRO-WMLDXEAASA-N 1 1 336.480 0.482 50 0 ECAAMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)Cc1ccccc1)c(=O)n2C ZINC000030776380 436221212 /nfs/dbraw/zinc/22/12/12/436221212.db2.gz QTNTYSUYLUIPFG-UHFFFAOYSA-N 1 1 341.415 0.956 50 0 ECAAMO Cc1cc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n(C)n1 ZINC000043434021 436331396 /nfs/dbraw/zinc/33/13/96/436331396.db2.gz LCXDPTYZRPAAPM-ZIAGYGMSSA-N 1 1 337.424 0.587 50 0 ECAAMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000089374946 436409819 /nfs/dbraw/zinc/40/98/19/436409819.db2.gz AEONWFSNJLQRSG-AWEZNQCLSA-N 1 1 346.497 0.251 50 0 ECAAMO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)[nH+]c1 ZINC000045674217 436373288 /nfs/dbraw/zinc/37/32/88/436373288.db2.gz VHCGKXOGVYFRKY-ZDUSSCGKSA-N 1 1 340.449 0.926 50 0 ECAAMO O=C(c1cnn(-c2ccccc2)n1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436558 436388278 /nfs/dbraw/zinc/38/82/78/436388278.db2.gz HKVXBYXIZRWTGS-QGZVFWFLSA-N 1 1 341.415 0.796 50 0 ECAAMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000085822352 436392615 /nfs/dbraw/zinc/39/26/15/436392615.db2.gz NPYGCXWJIXURME-WDEREUQCSA-N 1 1 330.372 0.657 50 0 ECAAMO CN(Cc1ccncc1)C(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967813 436357045 /nfs/dbraw/zinc/35/70/45/436357045.db2.gz NOYYQIYALTYAIC-DLBZAZTESA-N 1 1 348.447 0.960 50 0 ECAAMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000048034569 436439042 /nfs/dbraw/zinc/43/90/42/436439042.db2.gz GLVBPVFTDQXBMB-CYBMUJFWSA-N 1 1 335.404 0.170 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCOC1 ZINC000048287120 436448075 /nfs/dbraw/zinc/44/80/75/436448075.db2.gz NNGAUYBVECSUSA-OAHLLOKOSA-N 1 1 348.451 0.324 50 0 ECAAMO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000048331892 436449338 /nfs/dbraw/zinc/44/93/38/436449338.db2.gz KFIUTCRDRFMBIE-UHFFFAOYSA-N 1 1 339.461 0.489 50 0 ECAAMO NC(=O)CCS(=O)(=O)CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000048331892 436449341 /nfs/dbraw/zinc/44/93/41/436449341.db2.gz KFIUTCRDRFMBIE-UHFFFAOYSA-N 1 1 339.461 0.489 50 0 ECAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)CC1 ZINC000091366883 436451138 /nfs/dbraw/zinc/45/11/38/436451138.db2.gz WPLTXOCTJULRKC-INIZCTEOSA-N 1 1 344.415 0.914 50 0 ECAAMO O=C(CCc1ccccn1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091550944 436453309 /nfs/dbraw/zinc/45/33/09/436453309.db2.gz WSNAXGAHASLHSP-HZPDHXFCSA-N 1 1 333.432 0.413 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)n1C ZINC000089735919 436415531 /nfs/dbraw/zinc/41/55/31/436415531.db2.gz UOFCPMPHPIMIMV-RDJZCZTQSA-N 1 1 342.447 0.856 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)n1C ZINC000089735919 436415533 /nfs/dbraw/zinc/41/55/33/436415533.db2.gz UOFCPMPHPIMIMV-RDJZCZTQSA-N 1 1 342.447 0.856 50 0 ECAAMO CC[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000089948600 436424304 /nfs/dbraw/zinc/42/43/04/436424304.db2.gz ALQDXPIESOUZLT-UONOGXRCSA-N 1 1 329.404 0.912 50 0 ECAAMO COc1cccc([C@@H]2C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000093080280 436482269 /nfs/dbraw/zinc/48/22/69/436482269.db2.gz KFFPIHXUTSAYKL-INIZCTEOSA-N 1 1 345.399 0.666 50 0 ECAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000093080280 436482271 /nfs/dbraw/zinc/48/22/71/436482271.db2.gz KFFPIHXUTSAYKL-INIZCTEOSA-N 1 1 345.399 0.666 50 0 ECAAMO O=C(CCn1cccn1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095431028 436494874 /nfs/dbraw/zinc/49/48/74/436494874.db2.gz BETFXIMTZYXOIR-QGZVFWFLSA-N 1 1 328.416 0.809 50 0 ECAAMO Cc1ccc(NCCCNC(=O)c2cc(=O)n(C)c(=O)n2C)[nH+]c1 ZINC000095501511 436496544 /nfs/dbraw/zinc/49/65/44/436496544.db2.gz KUYYKVHFCGWTPK-UHFFFAOYSA-N 1 1 331.376 0.019 50 0 ECAAMO O=S1(=O)C=C[C@@H]([NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095509950 436497527 /nfs/dbraw/zinc/49/75/27/436497527.db2.gz TYNRDZIDKUXOKT-LLVKDONJSA-N 1 1 334.405 0.222 50 0 ECAAMO COCC(=O)N1C[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000096279826 436530386 /nfs/dbraw/zinc/53/03/86/436530386.db2.gz QTDNIWUOXFRBRH-IAGOWNOFSA-N 1 1 345.443 0.649 50 0 ECAAMO Nc1ccnc(N2CC[N@H+](Cc3cncn3C3CC3)C[C@H](O)C2)n1 ZINC000097179311 436539893 /nfs/dbraw/zinc/53/98/93/436539893.db2.gz YGUWFGPPFXSJLM-AWEZNQCLSA-N 1 1 329.408 0.273 50 0 ECAAMO Nc1ccnc(N2CC[N@@H+](Cc3cncn3C3CC3)C[C@H](O)C2)n1 ZINC000097179311 436539897 /nfs/dbraw/zinc/53/98/97/436539897.db2.gz YGUWFGPPFXSJLM-AWEZNQCLSA-N 1 1 329.408 0.273 50 0 ECAAMO Cc1nc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)cn1C ZINC000097163901 436540419 /nfs/dbraw/zinc/54/04/19/436540419.db2.gz YDHZZUNENCWWDZ-UHFFFAOYSA-N 1 1 343.497 0.375 50 0 ECAAMO CC[N@H+]1CCC[C@H](CNC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000058404958 436625162 /nfs/dbraw/zinc/62/51/62/436625162.db2.gz CSICAYYCXQMSNI-CQSZACIVSA-N 1 1 345.509 0.896 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000057793442 436616404 /nfs/dbraw/zinc/61/64/04/436616404.db2.gz KFODYMMXCSZOGY-CQSZACIVSA-N 1 1 331.482 0.649 50 0 ECAAMO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000060061263 436632071 /nfs/dbraw/zinc/63/20/71/436632071.db2.gz BYQSRSUVVRCYQZ-CQSZACIVSA-N 1 1 349.456 0.975 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)c1 ZINC000063090510 436641749 /nfs/dbraw/zinc/64/17/49/436641749.db2.gz IAJDAGSHUQEPNF-AWEZNQCLSA-N 1 1 339.461 0.577 50 0 ECAAMO Cc1cc(N2CC[NH+](C(CO)CO)CC2)nc(-c2ccccc2)n1 ZINC000065371773 436655715 /nfs/dbraw/zinc/65/57/15/436655715.db2.gz PKOJHZHCPJLONG-UHFFFAOYSA-N 1 1 328.416 0.927 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@@H]2C)CC1 ZINC000229306934 436714721 /nfs/dbraw/zinc/71/47/21/436714721.db2.gz STQXRPHQGSKMOL-WMLDXEAASA-N 1 1 336.480 0.387 50 0 ECAAMO CC(=O)N1CCOC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000222032068 436702288 /nfs/dbraw/zinc/70/22/88/436702288.db2.gz OLKHHBFVWJNUNF-GDBMZVCRSA-N 1 1 325.453 0.862 50 0 ECAAMO Cc1nc(CN2CCC[C@H]([N@@H+](C)C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229556444 436715294 /nfs/dbraw/zinc/71/52/94/436715294.db2.gz VHTSILFSNQGVLS-LSDHHAIUSA-N 1 1 334.424 0.532 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000065437119 436661066 /nfs/dbraw/zinc/66/10/66/436661066.db2.gz HSZCXUZCZGPGPJ-UHFFFAOYSA-N 1 1 340.449 0.442 50 0 ECAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000067804210 436724045 /nfs/dbraw/zinc/72/40/45/436724045.db2.gz QZYLOPDSFBJWOH-CQSZACIVSA-N 1 1 333.436 0.773 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1C ZINC000229913207 436717456 /nfs/dbraw/zinc/71/74/56/436717456.db2.gz UOFCPMPHPIMIMV-NVXWUHKLSA-N 1 1 342.447 0.856 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1C ZINC000229913207 436717460 /nfs/dbraw/zinc/71/74/60/436717460.db2.gz UOFCPMPHPIMIMV-NVXWUHKLSA-N 1 1 342.447 0.856 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C)C(=O)C1 ZINC000248764771 436810576 /nfs/dbraw/zinc/81/05/76/436810576.db2.gz GVRGHNHWOGDCAA-GOEBONIOSA-N 1 1 330.432 0.991 50 0 ECAAMO CNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000069567182 436781196 /nfs/dbraw/zinc/78/11/96/436781196.db2.gz SDEGDMCATMWQRH-ZDUSSCGKSA-N 1 1 334.420 0.829 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]1CO ZINC000253415013 436844061 /nfs/dbraw/zinc/84/40/61/436844061.db2.gz ZJLQOEFPBOIOHB-DZGCQCFKSA-N 1 1 338.404 0.259 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]1CO ZINC000253415013 436844063 /nfs/dbraw/zinc/84/40/63/436844063.db2.gz ZJLQOEFPBOIOHB-DZGCQCFKSA-N 1 1 338.404 0.259 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000253428179 436845212 /nfs/dbraw/zinc/84/52/12/436845212.db2.gz IDSFPACBKUKOBT-AWEZNQCLSA-N 1 1 345.451 0.584 50 0 ECAAMO COC[C@H]1NC(=O)CC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000257191313 436859856 /nfs/dbraw/zinc/85/98/56/436859856.db2.gz PWVPTNQSYDEMHD-IAGOWNOFSA-N 1 1 345.443 0.872 50 0 ECAAMO COc1cccc(CC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)c1 ZINC000257193063 436860566 /nfs/dbraw/zinc/86/05/66/436860566.db2.gz RGSAFGQOYGVDOG-MAUKXSAKSA-N 1 1 348.443 0.826 50 0 ECAAMO C[C@H]1C(=O)NCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000188097993 437524733 /nfs/dbraw/zinc/52/47/33/437524733.db2.gz QAZNSNQQAUETSJ-HNNXBMFYSA-N 1 1 344.459 0.785 50 0 ECAAMO Cc1cc(=O)[nH]c([C@H](C)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000192625097 437681956 /nfs/dbraw/zinc/68/19/56/437681956.db2.gz OLLCSKHMQYNUSG-UONOGXRCSA-N 1 1 333.436 0.790 50 0 ECAAMO C[N@H+]1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1(C)C ZINC000426546209 438065873 /nfs/dbraw/zinc/06/58/73/438065873.db2.gz OEBMINLKFJQRCA-CYBMUJFWSA-N 1 1 335.452 0.915 50 0 ECAAMO Cc1nc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)sc1C ZINC000426571841 438067661 /nfs/dbraw/zinc/06/76/61/438067661.db2.gz VOPJVXSWSREAIE-GFCCVEGCSA-N 1 1 349.460 0.914 50 0 ECAAMO OCCNc1nc(NCc2ccc(CO)cc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426652836 438071470 /nfs/dbraw/zinc/07/14/70/438071470.db2.gz FWDQTFVBQKJKIO-OAHLLOKOSA-N 1 1 344.415 0.333 50 0 ECAAMO CNS(=O)(=O)CC(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000408516121 438581265 /nfs/dbraw/zinc/58/12/65/438581265.db2.gz QQTOAXWIGSIFJQ-UHFFFAOYSA-N 1 1 349.840 0.252 50 0 ECAAMO CNS(=O)(=O)CC(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000408516121 438581266 /nfs/dbraw/zinc/58/12/66/438581266.db2.gz QQTOAXWIGSIFJQ-UHFFFAOYSA-N 1 1 349.840 0.252 50 0 ECAAMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000408520771 438581313 /nfs/dbraw/zinc/58/13/13/438581313.db2.gz WICZAIONUUYISX-UHFFFAOYSA-N 1 1 332.448 0.931 50 0 ECAAMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(=O)[nH]1 ZINC000584902688 439626273 /nfs/dbraw/zinc/62/62/73/439626273.db2.gz LPNMCBHJTOYUPZ-OAHLLOKOSA-N 1 1 342.399 0.791 50 0 ECAAMO CC1(C)NC(=O)N(CCC[NH+]2CCN(Cc3ccccn3)CC2)C1=O ZINC000052280476 520601710 /nfs/dbraw/zinc/60/17/10/520601710.db2.gz UIUUCNHVGUNLBI-UHFFFAOYSA-N 1 1 345.447 0.920 50 0 ECAAMO CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840271 535119991 /nfs/dbraw/zinc/11/99/91/535119991.db2.gz SXMHHHIMAGUAEI-IAGOWNOFSA-N 1 1 336.480 0.999 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000075124030 545687716 /nfs/dbraw/zinc/68/77/16/545687716.db2.gz ZWNMQZGIPKBUCC-ZDUSSCGKSA-N 1 1 341.415 0.893 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000670450788 548014740 /nfs/dbraw/zinc/01/47/40/548014740.db2.gz UFUIGZQKEDZGLF-CYBMUJFWSA-N 1 1 330.454 0.447 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670450788 548014742 /nfs/dbraw/zinc/01/47/42/548014742.db2.gz UFUIGZQKEDZGLF-CYBMUJFWSA-N 1 1 330.454 0.447 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCCC[C@H]1CO)c1ccc2[nH]cnc2c1 ZINC000670470857 548017652 /nfs/dbraw/zinc/01/76/52/548017652.db2.gz ICKONQWPFDRDBR-LBPRGKRZSA-N 1 1 338.433 0.688 50 0 ECAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@H]1CO)c1ccc2[nH]cnc2c1 ZINC000670470857 548017657 /nfs/dbraw/zinc/01/76/57/548017657.db2.gz ICKONQWPFDRDBR-LBPRGKRZSA-N 1 1 338.433 0.688 50 0 ECAAMO O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000888096960 586350096 /nfs/dbraw/zinc/35/00/96/586350096.db2.gz XNBJXOZOESHUKT-HOTGVXAUSA-N 1 1 331.416 0.533 50 0 ECAAMO C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981791 612139819 /nfs/dbraw/zinc/13/98/19/612139819.db2.gz VFLVXBGGLGKEPA-GDBMZVCRSA-N 1 1 346.475 0.997 50 0 ECAAMO CN(C)[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)COc2ccccc2C1 ZINC000952994040 612140755 /nfs/dbraw/zinc/14/07/55/612140755.db2.gz OMQNJJTUNVJGTO-LJQANCHMSA-N 1 1 347.459 0.760 50 0 ECAAMO Cc1cccc(OC2CN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C2)c1 ZINC000091872175 612942348 /nfs/dbraw/zinc/94/23/48/612942348.db2.gz XOVQBUXGCBIRCR-AWEZNQCLSA-N 1 1 331.416 0.782 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCc1ccccc1 ZINC000053047870 214161133 /nfs/dbraw/zinc/16/11/33/214161133.db2.gz URSBVCPFUNWMHU-LBPRGKRZSA-N 1 1 344.415 0.412 50 0 ECAAMO CN(C)S(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000136245394 282152085 /nfs/dbraw/zinc/15/20/85/282152085.db2.gz DZDAWSVCKLOPDD-OAHLLOKOSA-N 1 1 339.461 0.783 50 0 ECAAMO CN(C)S(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000136245394 282152086 /nfs/dbraw/zinc/15/20/86/282152086.db2.gz DZDAWSVCKLOPDD-OAHLLOKOSA-N 1 1 339.461 0.783 50 0 ECAAMO Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)C1CC1 ZINC000055340963 214309180 /nfs/dbraw/zinc/30/91/80/214309180.db2.gz VXLONHSPSRXMBV-CQSZACIVSA-N 1 1 347.463 0.725 50 0 ECAAMO O=C(NCCc1ccccn1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042963123 213546853 /nfs/dbraw/zinc/54/68/53/213546853.db2.gz ATJVOLMPWNGJOW-DOTOQJQBSA-N 1 1 348.447 0.661 50 0 ECAAMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000067743430 215201291 /nfs/dbraw/zinc/20/12/91/215201291.db2.gz TYFUNXRYEPSHBW-LBPRGKRZSA-N 1 1 339.417 0.466 50 0 ECAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1sccc1S(N)(=O)=O)C2 ZINC000067758218 215206663 /nfs/dbraw/zinc/20/66/63/215206663.db2.gz SOYSWVZBCPJDRQ-VHSXEESVSA-N 1 1 329.447 0.704 50 0 ECAAMO COC(=O)C1=NO[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000068389451 215304965 /nfs/dbraw/zinc/30/49/65/215304965.db2.gz CQMNTTYGMFVRPQ-TZMCWYRMSA-N 1 1 341.408 0.167 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000040287107 213288815 /nfs/dbraw/zinc/28/88/15/213288815.db2.gz IRDBEYBUHGHILK-LBPRGKRZSA-N 1 1 333.392 0.988 50 0 ECAAMO CCn1cnnc1CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072138666 216026696 /nfs/dbraw/zinc/02/66/96/216026696.db2.gz RMPTXEYESYUDCH-CQSZACIVSA-N 1 1 348.451 0.090 50 0 ECAAMO COc1ccc(CC(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)cc1OC ZINC000072170525 216062115 /nfs/dbraw/zinc/06/21/15/216062115.db2.gz GERHOOIPSCYKPM-AWEZNQCLSA-N 1 1 347.415 0.325 50 0 ECAAMO CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000072292390 216127553 /nfs/dbraw/zinc/12/75/53/216127553.db2.gz YQTLXZQUINYGGU-AWEZNQCLSA-N 1 1 346.435 0.202 50 0 ECAAMO Cc1nc[nH]c1CN1CCOC[C@H]1CC(=O)N1CCC[N@H+](C)CC1 ZINC000072410355 216202436 /nfs/dbraw/zinc/20/24/36/216202436.db2.gz JATIVCJKPVEYSP-OAHLLOKOSA-N 1 1 335.452 0.473 50 0 ECAAMO c1cn(CCNc2ncnc3c2CC[N@H+](C2CCOCC2)CC3)nn1 ZINC000072426582 216217975 /nfs/dbraw/zinc/21/79/75/216217975.db2.gz YAUULQFIYJIQMC-UHFFFAOYSA-N 1 1 343.435 0.760 50 0 ECAAMO CC(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1 ZINC000072436931 216232967 /nfs/dbraw/zinc/23/29/67/216232967.db2.gz BWTINHLNNOAOBA-UHFFFAOYSA-N 1 1 347.466 0.651 50 0 ECAAMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072453890 216240423 /nfs/dbraw/zinc/24/04/23/216240423.db2.gz JAKDXKBSGJJMIF-INIZCTEOSA-N 1 1 330.432 0.835 50 0 ECAAMO CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229714238 242192254 /nfs/dbraw/zinc/19/22/54/242192254.db2.gz GIVUSPMWCIWXJP-KBPBESRZSA-N 1 1 329.466 0.401 50 0 ECAAMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000020948680 212193488 /nfs/dbraw/zinc/19/34/88/212193488.db2.gz MMDIVIFXZGCIRP-ZDUSSCGKSA-N 1 1 337.395 0.990 50 0 ECAAMO CCCn1cc(CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000244723794 243068817 /nfs/dbraw/zinc/06/88/17/243068817.db2.gz MHNRARVJAOMGNQ-AWEZNQCLSA-N 1 1 342.465 0.418 50 0 ECAAMO CCCn1cc(CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000244723794 243068820 /nfs/dbraw/zinc/06/88/20/243068820.db2.gz MHNRARVJAOMGNQ-AWEZNQCLSA-N 1 1 342.465 0.418 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccnc(Cl)c2)CC1 ZINC000020677764 212162752 /nfs/dbraw/zinc/16/27/52/212162752.db2.gz RYLDRZYWVPWVMQ-UHFFFAOYSA-N 1 1 339.827 0.427 50 0 ECAAMO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[NH+]1CCOCC1)O2 ZINC000020379780 212124582 /nfs/dbraw/zinc/12/45/82/212124582.db2.gz MHFPFVKRFIYKRX-MRXNPFEDSA-N 1 1 347.415 0.923 50 0 ECAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000019859186 212076739 /nfs/dbraw/zinc/07/67/39/212076739.db2.gz RRGDQWWOIMSXPY-ZDUSSCGKSA-N 1 1 325.434 0.615 50 0 ECAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000019842104 212075609 /nfs/dbraw/zinc/07/56/09/212075609.db2.gz IGPXSMFZTKNUHZ-OAHLLOKOSA-N 1 1 337.464 0.958 50 0 ECAAMO COc1ccc(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019831216 212073270 /nfs/dbraw/zinc/07/32/70/212073270.db2.gz RPCRFBOYHVFXND-UHFFFAOYSA-N 1 1 349.431 0.192 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](C[C@H](O)COCc3ccco3)C2)n[nH]1 ZINC000078900850 217143881 /nfs/dbraw/zinc/14/38/81/217143881.db2.gz DUTGEMSPMUPXEK-STQMWFEESA-N 1 1 348.403 0.859 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1CO ZINC000091587011 218025729 /nfs/dbraw/zinc/02/57/29/218025729.db2.gz FTRDIYXZQLSMSD-CHWSQXEVSA-N 1 1 342.386 0.960 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000091586258 218025784 /nfs/dbraw/zinc/02/57/84/218025784.db2.gz MVYYLUHNKDWESM-GFCCVEGCSA-N 1 1 342.399 0.455 50 0 ECAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@H]2COCCN2)CC1 ZINC000091914773 218087935 /nfs/dbraw/zinc/08/79/35/218087935.db2.gz ZNVLIOAMURZAIW-INIZCTEOSA-N 1 1 349.479 0.529 50 0 ECAAMO CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000091871879 218080589 /nfs/dbraw/zinc/08/05/89/218080589.db2.gz AWQYEJUHRBBNMV-NSHDSACASA-N 1 1 327.348 0.383 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCc2ccccn2)C[C@@]12CCNC(=O)CC2 ZINC000091943485 218092302 /nfs/dbraw/zinc/09/23/02/218092302.db2.gz SLLIOZAUOLEJRD-GOSISDBHSA-N 1 1 330.432 0.827 50 0 ECAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cccnc3OC)C[C@@H]2C1 ZINC000095358251 218292177 /nfs/dbraw/zinc/29/21/77/218292177.db2.gz MTYUQZHELJBXLL-CRAIPNDOSA-N 1 1 349.431 0.522 50 0 ECAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cccnc3OC)C[C@@H]2C1 ZINC000095358251 218292178 /nfs/dbraw/zinc/29/21/78/218292178.db2.gz MTYUQZHELJBXLL-CRAIPNDOSA-N 1 1 349.431 0.522 50 0 ECAAMO Cc1nc(C)n(CCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095370834 218303702 /nfs/dbraw/zinc/30/37/02/218303702.db2.gz GSZNBNGAHGWBJR-OAHLLOKOSA-N 1 1 335.452 0.902 50 0 ECAAMO COCCN1CC[C@@]2(C[N@H+](C3CCOCC3)CCN2C)CCC1=O ZINC000107699111 285057121 /nfs/dbraw/zinc/05/71/21/285057121.db2.gz QBPNOYCWAJBIGV-GOSISDBHSA-N 1 1 339.480 0.811 50 0 ECAAMO COCCN1CC[C@@]2(CN(C3CCOCC3)CC[N@@H+]2C)CCC1=O ZINC000107699111 285057122 /nfs/dbraw/zinc/05/71/22/285057122.db2.gz QBPNOYCWAJBIGV-GOSISDBHSA-N 1 1 339.480 0.811 50 0 ECAAMO COCCN1CC[C@@]2(CN(C3CCOCC3)CC[N@H+]2C)CCC1=O ZINC000107699111 285057123 /nfs/dbraw/zinc/05/71/23/285057123.db2.gz QBPNOYCWAJBIGV-GOSISDBHSA-N 1 1 339.480 0.811 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccco1 ZINC000005827516 210543289 /nfs/dbraw/zinc/54/32/89/210543289.db2.gz NBMTVHLMMAFHGK-ZDUSSCGKSA-N 1 1 342.355 0.842 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cn1 ZINC000294090670 258011778 /nfs/dbraw/zinc/01/17/78/258011778.db2.gz XODCTHCXKBPDMS-PHIMTYICSA-N 1 1 326.422 0.154 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cn1 ZINC000294090670 258011781 /nfs/dbraw/zinc/01/17/81/258011781.db2.gz XODCTHCXKBPDMS-PHIMTYICSA-N 1 1 326.422 0.154 50 0 ECAAMO Cc1nc(C)n(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000299775346 258086208 /nfs/dbraw/zinc/08/62/08/258086208.db2.gz DQZSBEZQYSOSCF-KRWDZBQOSA-N 1 1 348.495 0.960 50 0 ECAAMO Cc1nc(C)n(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000299775346 258086210 /nfs/dbraw/zinc/08/62/10/258086210.db2.gz DQZSBEZQYSOSCF-KRWDZBQOSA-N 1 1 348.495 0.960 50 0 ECAAMO Cn1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)ccc1=O ZINC000299794381 258099313 /nfs/dbraw/zinc/09/93/13/258099313.db2.gz KDRJRDFQZLKNAB-UHFFFAOYSA-N 1 1 332.448 0.627 50 0 ECAAMO Cn1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)ccc1=O ZINC000299794381 258099315 /nfs/dbraw/zinc/09/93/15/258099315.db2.gz KDRJRDFQZLKNAB-UHFFFAOYSA-N 1 1 332.448 0.627 50 0 ECAAMO Cn1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)ccc1=O ZINC000299794381 258099316 /nfs/dbraw/zinc/09/93/16/258099316.db2.gz KDRJRDFQZLKNAB-UHFFFAOYSA-N 1 1 332.448 0.627 50 0 ECAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1c[nH]nc1-n1cnnn1 ZINC000299794358 258099442 /nfs/dbraw/zinc/09/94/42/258099442.db2.gz IPUNCDONEGLNKK-UHFFFAOYSA-N 1 1 329.368 0.525 50 0 ECAAMO CCc1nccn1CC1(CNC(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000299756379 258074911 /nfs/dbraw/zinc/07/49/11/258074911.db2.gz HGQAJEHCKFTAEF-UHFFFAOYSA-N 1 1 333.480 0.979 50 0 ECAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCNC1=O ZINC000299761954 258078752 /nfs/dbraw/zinc/07/87/52/258078752.db2.gz CHEPJNHGGMTHGL-MRXNPFEDSA-N 1 1 346.431 0.419 50 0 ECAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCNC1=O ZINC000299761954 258078754 /nfs/dbraw/zinc/07/87/54/258078754.db2.gz CHEPJNHGGMTHGL-MRXNPFEDSA-N 1 1 346.431 0.419 50 0 ECAAMO Cc1ccccc1OCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299765465 258080777 /nfs/dbraw/zinc/08/07/77/258080777.db2.gz HELDKYCWSCFIKV-HUUCEWRRSA-N 1 1 349.431 0.013 50 0 ECAAMO Cc1ccccc1OCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299765465 258080779 /nfs/dbraw/zinc/08/07/79/258080779.db2.gz HELDKYCWSCFIKV-HUUCEWRRSA-N 1 1 349.431 0.013 50 0 ECAAMO CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299767817 258082010 /nfs/dbraw/zinc/08/20/10/258082010.db2.gz VJTIYTRVTYECDO-HZPDHXFCSA-N 1 1 333.432 0.502 50 0 ECAAMO CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299767817 258082011 /nfs/dbraw/zinc/08/20/11/258082011.db2.gz VJTIYTRVTYECDO-HZPDHXFCSA-N 1 1 333.432 0.502 50 0 ECAAMO CCOCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095373615 286022665 /nfs/dbraw/zinc/02/26/65/286022665.db2.gz NRCVJQCPRWUOIE-GOSISDBHSA-N 1 1 337.464 0.958 50 0 ECAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148038 273700927 /nfs/dbraw/zinc/70/09/27/273700927.db2.gz WXAHJYVTTHDRRJ-JTQLQIEISA-N 1 1 334.380 0.227 50 0 ECAAMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](C(C)C)C1 ZINC000091651343 277000679 /nfs/dbraw/zinc/00/06/79/277000679.db2.gz ISLRVOBMBQILCP-HIFRSBDPSA-N 1 1 333.436 0.526 50 0 ECAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](C(C)C)C1 ZINC000091651343 277000680 /nfs/dbraw/zinc/00/06/80/277000680.db2.gz ISLRVOBMBQILCP-HIFRSBDPSA-N 1 1 333.436 0.526 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000095950859 278080158 /nfs/dbraw/zinc/08/01/58/278080158.db2.gz ZHFKYVCLKONXGD-HOTGVXAUSA-N 1 1 337.464 0.883 50 0 ECAAMO NC(=O)C[N@H+]1CC=C(CN2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000065387418 295045632 /nfs/dbraw/zinc/04/56/32/295045632.db2.gz SALHRRUGKJJVQL-UHFFFAOYSA-N 1 1 348.472 0.623 50 0 ECAAMO NC(=O)C[N@@H+]1CC=C(CN2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000065387418 295045637 /nfs/dbraw/zinc/04/56/37/295045637.db2.gz SALHRRUGKJJVQL-UHFFFAOYSA-N 1 1 348.472 0.623 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000069697150 435959371 /nfs/dbraw/zinc/95/93/71/435959371.db2.gz XYFQJMUSETVMQC-CYBMUJFWSA-N 1 1 339.461 0.705 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069780257 435965167 /nfs/dbraw/zinc/96/51/67/435965167.db2.gz VCDISGKJWIIFCU-QWHCGFSZSA-N 1 1 337.386 0.834 50 0 ECAAMO COc1ccccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000069780148 435966624 /nfs/dbraw/zinc/96/66/24/435966624.db2.gz QQNQUGJSOGAFMB-AWEZNQCLSA-N 1 1 336.436 0.767 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000069870005 435971924 /nfs/dbraw/zinc/97/19/24/435971924.db2.gz YGWKZSBGEHKBLA-NSHDSACASA-N 1 1 345.241 0.561 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000069898313 435974810 /nfs/dbraw/zinc/97/48/10/435974810.db2.gz QUGARKIMEVJEOU-INIZCTEOSA-N 1 1 336.432 0.915 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000070021745 435982365 /nfs/dbraw/zinc/98/23/65/435982365.db2.gz XWEYLHYKGDFMHG-QGZVFWFLSA-N 1 1 346.475 0.334 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000070040864 435986490 /nfs/dbraw/zinc/98/64/90/435986490.db2.gz IMDGIOZAICHUMD-KBPBESRZSA-N 1 1 335.404 0.153 50 0 ECAAMO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000000100560 435950677 /nfs/dbraw/zinc/95/06/77/435950677.db2.gz MCDYCGQWZPQWPZ-HNNXBMFYSA-N 1 1 345.399 0.915 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000069626316 435954023 /nfs/dbraw/zinc/95/40/23/435954023.db2.gz OZTOACISTCUQGA-CABCVRRESA-N 1 1 343.493 0.791 50 0 ECAAMO O=S(=O)(NCc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000071681650 436007103 /nfs/dbraw/zinc/00/71/03/436007103.db2.gz NYNQSLVUXVEPIR-MRXNPFEDSA-N 1 1 339.461 0.818 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000007435514 436013609 /nfs/dbraw/zinc/01/36/09/436013609.db2.gz AZHZNGOTCBGRGG-UHFFFAOYSA-N 1 1 344.415 0.715 50 0 ECAAMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071830565 436016665 /nfs/dbraw/zinc/01/66/65/436016665.db2.gz VJNRGEHHDRYWIN-CQSZACIVSA-N 1 1 327.388 0.684 50 0 ECAAMO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071830565 436016670 /nfs/dbraw/zinc/01/66/70/436016670.db2.gz VJNRGEHHDRYWIN-CQSZACIVSA-N 1 1 327.388 0.684 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000071871182 436021788 /nfs/dbraw/zinc/02/17/88/436021788.db2.gz FCVUGNUELROTEV-NSHDSACASA-N 1 1 347.337 0.392 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000071871135 436022066 /nfs/dbraw/zinc/02/20/66/436022066.db2.gz XZAFVBBYDNUFGW-VXGBXAGGSA-N 1 1 340.449 0.373 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000071879999 436023463 /nfs/dbraw/zinc/02/34/63/436023463.db2.gz BVCVVCNKYHKULE-MRXNPFEDSA-N 1 1 347.463 0.920 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000071881830 436023997 /nfs/dbraw/zinc/02/39/97/436023997.db2.gz REFGWUPUBYSTQR-CQSZACIVSA-N 1 1 335.404 0.079 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000071881002 436024140 /nfs/dbraw/zinc/02/41/40/436024140.db2.gz XIZMGLDEAKDVEO-HNNXBMFYSA-N 1 1 329.404 0.796 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000071881011 436024921 /nfs/dbraw/zinc/02/49/21/436024921.db2.gz XIZMGLDEAKDVEO-OAHLLOKOSA-N 1 1 329.404 0.796 50 0 ECAAMO C[C@]1([C@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)NC(=O)NC1=O ZINC000072300817 436042209 /nfs/dbraw/zinc/04/22/09/436042209.db2.gz MVSOKDARFGDPEC-SCLBCKFNSA-N 1 1 348.447 0.601 50 0 ECAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012995656 436059366 /nfs/dbraw/zinc/05/93/66/436059366.db2.gz WOOLTLVILQUTKF-UHFFFAOYSA-N 1 1 339.461 0.531 50 0 ECAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012995656 436059368 /nfs/dbraw/zinc/05/93/68/436059368.db2.gz WOOLTLVILQUTKF-UHFFFAOYSA-N 1 1 339.461 0.531 50 0 ECAAMO CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000017028552 436098430 /nfs/dbraw/zinc/09/84/30/436098430.db2.gz WJMNLNOOSIATJT-GUYCJALGSA-N 1 1 328.372 0.898 50 0 ECAAMO CCOC(=O)N1CC[NH+](CCC(=O)NC(=O)NC2CCCC2)CC1 ZINC000024247912 436132638 /nfs/dbraw/zinc/13/26/38/436132638.db2.gz IBGGKXXUHJEUOX-UHFFFAOYSA-N 1 1 340.424 0.919 50 0 ECAAMO COC(=O)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000024926415 436141326 /nfs/dbraw/zinc/14/13/26/436141326.db2.gz CVOBWMJMQBQBFD-UHFFFAOYSA-N 1 1 326.418 0.941 50 0 ECAAMO COC(=O)c1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000024926415 436141333 /nfs/dbraw/zinc/14/13/33/436141333.db2.gz CVOBWMJMQBQBFD-UHFFFAOYSA-N 1 1 326.418 0.941 50 0 ECAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000028902274 436194872 /nfs/dbraw/zinc/19/48/72/436194872.db2.gz YXFZXTLJEFKSLE-LLVKDONJSA-N 1 1 338.408 0.212 50 0 ECAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000028902274 436194877 /nfs/dbraw/zinc/19/48/77/436194877.db2.gz YXFZXTLJEFKSLE-LLVKDONJSA-N 1 1 338.408 0.212 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC3(CN(C)C(=O)O3)CC2)C1 ZINC000077287820 436232059 /nfs/dbraw/zinc/23/20/59/436232059.db2.gz VMUIZZCIYQAXCW-AWEZNQCLSA-N 1 1 339.436 0.929 50 0 ECAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000033040231 436249618 /nfs/dbraw/zinc/24/96/18/436249618.db2.gz BDRNHVCSBVATTG-AWEZNQCLSA-N 1 1 332.404 0.771 50 0 ECAAMO CC[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1COc2ccccc2O1 ZINC000044890608 436350527 /nfs/dbraw/zinc/35/05/27/436350527.db2.gz RNCPQHPHFLGVAP-HOTGVXAUSA-N 1 1 336.432 0.841 50 0 ECAAMO COc1ccc(CCNC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000045608432 436370984 /nfs/dbraw/zinc/37/09/84/436370984.db2.gz RVWPZXQGSXKWFL-UHFFFAOYSA-N 1 1 334.420 0.487 50 0 ECAAMO CC(C)C[NH+]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000084738228 436383878 /nfs/dbraw/zinc/38/38/78/436383878.db2.gz YBMUJJIRDLJZCH-UHFFFAOYSA-N 1 1 343.449 0.743 50 0 ECAAMO O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000046140839 436387555 /nfs/dbraw/zinc/38/75/55/436387555.db2.gz LWLIRTVTKXMGFK-UHFFFAOYSA-N 1 1 337.445 0.526 50 0 ECAAMO COc1ccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000085466898 436389731 /nfs/dbraw/zinc/38/97/31/436389731.db2.gz RGQOUXAAFJMPNK-CYBMUJFWSA-N 1 1 337.420 0.912 50 0 ECAAMO CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000046878785 436403512 /nfs/dbraw/zinc/40/35/12/436403512.db2.gz XMEADGOYKHRSBR-CQSZACIVSA-N 1 1 345.509 0.896 50 0 ECAAMO Cc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000044967801 436356658 /nfs/dbraw/zinc/35/66/58/436356658.db2.gz NKPKYTKPNCBXMT-IAGOWNOFSA-N 1 1 348.447 0.927 50 0 ECAAMO CCc1nn2c(nc(C[NH+]3CCC(CC(N)=O)CC3)cc2=O)s1 ZINC000044951137 436356684 /nfs/dbraw/zinc/35/66/84/436356684.db2.gz ZREIKJJZCJADHG-UHFFFAOYSA-N 1 1 335.433 0.801 50 0 ECAAMO C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000044969441 436357066 /nfs/dbraw/zinc/35/70/66/436357066.db2.gz WXJRGYMMXKZRTN-HZSPNIEDSA-N 1 1 331.482 0.935 50 0 ECAAMO COc1cccc(OCC(=O)N[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C2CC2)c1 ZINC000091254502 436448830 /nfs/dbraw/zinc/44/88/30/436448830.db2.gz PVGURNIZRACIAW-CVEARBPZSA-N 1 1 347.415 0.386 50 0 ECAAMO COc1cccc(OCC(=O)N[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C2CC2)c1 ZINC000091254502 436448833 /nfs/dbraw/zinc/44/88/33/436448833.db2.gz PVGURNIZRACIAW-CVEARBPZSA-N 1 1 347.415 0.386 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC000048331479 436449684 /nfs/dbraw/zinc/44/96/84/436449684.db2.gz XHHLUXLGYLARRA-OKILXGFUSA-N 1 1 344.419 0.599 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC000048331479 436449688 /nfs/dbraw/zinc/44/96/88/436449688.db2.gz XHHLUXLGYLARRA-OKILXGFUSA-N 1 1 344.419 0.599 50 0 ECAAMO C[N@H+](CCc1ccccc1)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000048363910 436450414 /nfs/dbraw/zinc/45/04/14/436450414.db2.gz LCBYLNNUJBPQTQ-UHFFFAOYSA-N 1 1 342.399 0.811 50 0 ECAAMO C[N@@H+](CCc1ccccc1)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000048363910 436450419 /nfs/dbraw/zinc/45/04/19/436450419.db2.gz LCBYLNNUJBPQTQ-UHFFFAOYSA-N 1 1 342.399 0.811 50 0 ECAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)c3ccc[nH]3)C2)CC1 ZINC000091644280 436456658 /nfs/dbraw/zinc/45/66/58/436456658.db2.gz JVQOIESSOMAWJJ-CVEARBPZSA-N 1 1 334.464 0.723 50 0 ECAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccc[nH]3)C2)CC1 ZINC000091644280 436456661 /nfs/dbraw/zinc/45/66/61/436456661.db2.gz JVQOIESSOMAWJJ-CVEARBPZSA-N 1 1 334.464 0.723 50 0 ECAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccc[nH]3)C2)CC1 ZINC000091644280 436456662 /nfs/dbraw/zinc/45/66/62/436456662.db2.gz JVQOIESSOMAWJJ-CVEARBPZSA-N 1 1 334.464 0.723 50 0 ECAAMO CSCc1nc(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)cs1 ZINC000092028195 436465555 /nfs/dbraw/zinc/46/55/55/436465555.db2.gz CSFSNHDWGYPSRE-UHFFFAOYSA-N 1 1 342.490 0.820 50 0 ECAAMO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)CCO1 ZINC000047258289 436415147 /nfs/dbraw/zinc/41/51/47/436415147.db2.gz VERSWMGXAQKMNL-CYBMUJFWSA-N 1 1 333.436 0.651 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089718300 436415830 /nfs/dbraw/zinc/41/58/30/436415830.db2.gz OZTNDIXEYWBYFR-CABCVRRESA-N 1 1 348.407 0.058 50 0 ECAAMO Cn1c(C[N@@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)cc2ccccc21 ZINC000096165649 436516835 /nfs/dbraw/zinc/51/68/35/436516835.db2.gz MUGHPOWOVNXZER-DNVCBOLYSA-N 1 1 343.427 0.989 50 0 ECAAMO Cn1c(C[N@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)cc2ccccc21 ZINC000096165649 436516840 /nfs/dbraw/zinc/51/68/40/436516840.db2.gz MUGHPOWOVNXZER-DNVCBOLYSA-N 1 1 343.427 0.989 50 0 ECAAMO Cn1c(C[NH+]2C[C@H]3C[N@H+](CCO)C[C@@]3(C(=O)[O-])C2)cc2ccccc21 ZINC000096165649 436516842 /nfs/dbraw/zinc/51/68/42/436516842.db2.gz MUGHPOWOVNXZER-DNVCBOLYSA-N 1 1 343.427 0.989 50 0 ECAAMO Cn1c(C[NH+]2C[C@H]3C[N@@H+](CCO)C[C@@]3(C(=O)[O-])C2)cc2ccccc21 ZINC000096165649 436516847 /nfs/dbraw/zinc/51/68/47/436516847.db2.gz MUGHPOWOVNXZER-DNVCBOLYSA-N 1 1 343.427 0.989 50 0 ECAAMO COCCc1nc(C2CC[NH+](CC(N)=O)CC2)n(CC(F)(F)F)n1 ZINC000096179690 436519568 /nfs/dbraw/zinc/51/95/68/436519568.db2.gz YHKNRQXKJGZXEU-UHFFFAOYSA-N 1 1 349.357 0.694 50 0 ECAAMO C/C=C/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000096298253 436530336 /nfs/dbraw/zinc/53/03/36/436530336.db2.gz UITKBYLGNPIMSA-DEQVHDEQSA-N 1 1 348.491 0.816 50 0 ECAAMO Cn1cc(C2CC[NH+](CC(=O)N[C@@H]3CCCCNC3=O)CC2)cn1 ZINC000097202998 436541211 /nfs/dbraw/zinc/54/12/11/436541211.db2.gz XVPVQDAHYHVYSZ-OAHLLOKOSA-N 1 1 333.436 0.384 50 0 ECAAMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc2nnnn2n1 ZINC000097212540 436541566 /nfs/dbraw/zinc/54/15/66/436541566.db2.gz UBCXEYPWZFKBAS-ZDUSSCGKSA-N 1 1 339.407 0.537 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1cnc(-c2ccncc2)nc1 ZINC000097213234 436542529 /nfs/dbraw/zinc/54/25/29/436542529.db2.gz KLKPICOFBILJOX-AWEZNQCLSA-N 1 1 341.415 0.973 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106662763 436600815 /nfs/dbraw/zinc/60/08/15/436600815.db2.gz PGWYCFUUUPEOLO-HZMVEIRTSA-N 1 1 341.496 0.645 50 0 ECAAMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1-n1cnnn1 ZINC000106761986 436602057 /nfs/dbraw/zinc/60/20/57/436602057.db2.gz UBPKRZPSHBFSJF-QWHCGFSZSA-N 1 1 328.376 0.255 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000106868943 436603988 /nfs/dbraw/zinc/60/39/88/436603988.db2.gz XYLWBLFMPYLBDM-WBVHZDCISA-N 1 1 347.463 0.735 50 0 ECAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)[nH]n1 ZINC000107355100 436611006 /nfs/dbraw/zinc/61/10/06/436611006.db2.gz QIAUAVJFJLUJAR-UONOGXRCSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)n[nH]1 ZINC000107355100 436611008 /nfs/dbraw/zinc/61/10/08/436611008.db2.gz QIAUAVJFJLUJAR-UONOGXRCSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)n[nH]1 ZINC000107355100 436611011 /nfs/dbraw/zinc/61/10/11/436611011.db2.gz QIAUAVJFJLUJAR-UONOGXRCSA-N 1 1 333.436 0.621 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000057394706 436611026 /nfs/dbraw/zinc/61/10/26/436611026.db2.gz ZFZDBAXFNVVFFU-KRWDZBQOSA-N 1 1 333.432 0.907 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C2)o1 ZINC000107354099 436611761 /nfs/dbraw/zinc/61/17/61/436611761.db2.gz SZFXODIMRAHNGZ-HUUCEWRRSA-N 1 1 336.436 0.642 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C2)o1 ZINC000107354099 436611765 /nfs/dbraw/zinc/61/17/65/436611765.db2.gz SZFXODIMRAHNGZ-HUUCEWRRSA-N 1 1 336.436 0.642 50 0 ECAAMO COCCN1CC[C@@]2(CN(Cc3nccn3C)CC[N@H+]2C)CCC1=O ZINC000108005111 436614197 /nfs/dbraw/zinc/61/41/97/436614197.db2.gz SSSUAQVTMOLYAK-GOSISDBHSA-N 1 1 349.479 0.565 50 0 ECAAMO O=C(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1nccs1 ZINC000065407758 436659566 /nfs/dbraw/zinc/65/95/66/436659566.db2.gz NJDPBVGFKNVBBG-CYBMUJFWSA-N 1 1 339.465 0.919 50 0 ECAAMO Cc1cc(NCCC[N@@H+]2CCC[C@@H](O)C2)nc(N2CCOCC2)n1 ZINC000065421276 436659656 /nfs/dbraw/zinc/65/96/56/436659656.db2.gz DPHDQHIYBUMCHX-OAHLLOKOSA-N 1 1 335.452 0.880 50 0 ECAAMO Cc1cc(NCCC[N@H+]2CCC[C@@H](O)C2)nc(N2CCOCC2)n1 ZINC000065421276 436659658 /nfs/dbraw/zinc/65/96/58/436659658.db2.gz DPHDQHIYBUMCHX-OAHLLOKOSA-N 1 1 335.452 0.880 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccccn43)C2)CC1 ZINC000065312187 436654732 /nfs/dbraw/zinc/65/47/32/436654732.db2.gz LZCWVLRVTIDOPU-CQSZACIVSA-N 1 1 328.420 0.720 50 0 ECAAMO COc1cc(N2CCC[N@@H+](CCCN3CCOCC3)CC2)ncn1 ZINC000065370230 436656102 /nfs/dbraw/zinc/65/61/02/436656102.db2.gz IRTMWSHVANTEKX-UHFFFAOYSA-N 1 1 335.452 0.720 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000221793994 436701163 /nfs/dbraw/zinc/70/11/63/436701163.db2.gz DACHCELCWGMZQY-HUUCEWRRSA-N 1 1 346.435 0.711 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)N1CC(N2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000223622568 436707705 /nfs/dbraw/zinc/70/77/05/436707705.db2.gz IAIGECPIKGATLC-QGZVFWFLSA-N 1 1 347.415 0.561 50 0 ECAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)NCCCn3cncn3)cc2C1 ZINC000065433823 436661813 /nfs/dbraw/zinc/66/18/13/436661813.db2.gz VJHIWGOSJLIJLB-UHFFFAOYSA-N 1 1 331.424 0.909 50 0 ECAAMO CC(C)[N@H+]1CCCn2nc(C(=O)NCCCn3cncn3)cc2C1 ZINC000065433823 436661818 /nfs/dbraw/zinc/66/18/18/436661818.db2.gz VJHIWGOSJLIJLB-UHFFFAOYSA-N 1 1 331.424 0.909 50 0 ECAAMO CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2n[nH]c3c2CCCC3)C1 ZINC000065528526 436666777 /nfs/dbraw/zinc/66/67/77/436666777.db2.gz NPXZRGHUSWQGAE-FZKQIMNGSA-N 1 1 345.447 0.015 50 0 ECAAMO CCc1ncc2c(n1)CN(c1cc(N3CC[NH+](C)CC3)nc(N)n1)C2 ZINC000067816921 436725165 /nfs/dbraw/zinc/72/51/65/436725165.db2.gz RUEZJXQMNMJAJK-UHFFFAOYSA-N 1 1 340.435 0.683 50 0 ECAAMO CCc1[nH+]ccn1CC1(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 ZINC000240163639 436758202 /nfs/dbraw/zinc/75/82/02/436758202.db2.gz JCYCTGBNJXPMFD-UHFFFAOYSA-N 1 1 345.403 0.613 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229554838 436715423 /nfs/dbraw/zinc/71/54/23/436715423.db2.gz XCYPVBFOZPMOOP-QZTJIDSGSA-N 1 1 345.447 0.472 50 0 ECAAMO O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246053922 436771852 /nfs/dbraw/zinc/77/18/52/436771852.db2.gz WVDJIASFOLGTLV-IRXDYDNUSA-N 1 1 343.427 0.721 50 0 ECAAMO CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000248179044 436800756 /nfs/dbraw/zinc/80/07/56/436800756.db2.gz XMHCLWMKXFPGPJ-ARFHVFGLSA-N 1 1 328.453 0.732 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2cccc(OC)c2)CC1 ZINC000257189024 436857277 /nfs/dbraw/zinc/85/72/77/436857277.db2.gz HDOCHNACWGGBQU-AEFFLSMTSA-N 1 1 347.459 0.841 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccc(OC)c2)CC1 ZINC000257189024 436857281 /nfs/dbraw/zinc/85/72/81/436857281.db2.gz HDOCHNACWGGBQU-AEFFLSMTSA-N 1 1 347.459 0.841 50 0 ECAAMO CC(=O)NCC(=O)N1CC[C@@H]2COCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257180839 436857549 /nfs/dbraw/zinc/85/75/49/436857549.db2.gz DXEACKXTWWCTPL-QZTJIDSGSA-N 1 1 345.443 0.872 50 0 ECAAMO Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CCN(Cc2cccnc2)C3)n1 ZINC000257193505 436859425 /nfs/dbraw/zinc/85/94/25/436859425.db2.gz YNSHVAKQFJTOOQ-WMZOPIPTSA-N 1 1 343.431 0.841 50 0 ECAAMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@H+](Cc2cccnc2)C3)n1 ZINC000257193505 436859428 /nfs/dbraw/zinc/85/94/28/436859428.db2.gz YNSHVAKQFJTOOQ-WMZOPIPTSA-N 1 1 343.431 0.841 50 0 ECAAMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@@H+](Cc2cccnc2)C3)n1 ZINC000257193505 436859430 /nfs/dbraw/zinc/85/94/30/436859430.db2.gz YNSHVAKQFJTOOQ-WMZOPIPTSA-N 1 1 343.431 0.841 50 0 ECAAMO Cn1cc([C@@H](NC(=O)CCC[NH+]2CCOCC2)[C@H]2C[C@H](O)C2)cn1 ZINC000252551392 436837376 /nfs/dbraw/zinc/83/73/76/436837376.db2.gz UEFXJRFGYSIWQE-QRTARXTBSA-N 1 1 336.436 0.461 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)no1 ZINC000257366136 436876954 /nfs/dbraw/zinc/87/69/54/436876954.db2.gz KUCIZNNXZNBPQW-UONOGXRCSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)no1 ZINC000257366136 436876957 /nfs/dbraw/zinc/87/69/57/436876957.db2.gz KUCIZNNXZNBPQW-UONOGXRCSA-N 1 1 337.424 0.179 50 0 ECAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000257366258 436877304 /nfs/dbraw/zinc/87/73/04/436877304.db2.gz POYFYPVOWNMBJQ-ZFWWWQNUSA-N 1 1 331.482 0.901 50 0 ECAAMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365005 436877935 /nfs/dbraw/zinc/87/79/35/436877935.db2.gz DJOMPVOBXGRKGV-HOTGVXAUSA-N 1 1 334.468 0.685 50 0 ECAAMO CCNS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000268086037 437364445 /nfs/dbraw/zinc/36/44/45/437364445.db2.gz XGOIGCGQLYEFDC-ZDUSSCGKSA-N 1 1 343.449 0.722 50 0 ECAAMO CCNS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000268086037 437364449 /nfs/dbraw/zinc/36/44/49/437364449.db2.gz XGOIGCGQLYEFDC-ZDUSSCGKSA-N 1 1 343.449 0.722 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)c(C)n2n1 ZINC000416292276 437906728 /nfs/dbraw/zinc/90/67/28/437906728.db2.gz IPOJSJCOSKBCTE-CHWSQXEVSA-N 1 1 331.420 0.873 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)c(C)n2n1 ZINC000416292276 437906732 /nfs/dbraw/zinc/90/67/32/437906732.db2.gz IPOJSJCOSKBCTE-CHWSQXEVSA-N 1 1 331.420 0.873 50 0 ECAAMO C[C@@H](CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)S(N)(=O)=O ZINC000408515738 438581642 /nfs/dbraw/zinc/58/16/42/438581642.db2.gz QOAZDIROBPULEG-NSHDSACASA-N 1 1 346.428 0.234 50 0 ECAAMO CCOCC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000565442135 438953120 /nfs/dbraw/zinc/95/31/20/438953120.db2.gz AYKAAZKDRKWINT-UHFFFAOYSA-N 1 1 347.415 0.709 50 0 ECAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCn2cncn2)CC1 ZINC000534663463 439532510 /nfs/dbraw/zinc/53/25/10/439532510.db2.gz CUPKOGFGJWDWFD-MRXNPFEDSA-N 1 1 349.483 0.480 50 0 ECAAMO CC[N@@H+](CCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CC1 ZINC000585131920 439634143 /nfs/dbraw/zinc/63/41/43/439634143.db2.gz KARAXZTZBDIJGY-WDEREUQCSA-N 1 1 342.383 0.810 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N1CCN(c2cnccn2)CC1 ZINC000584899208 439626832 /nfs/dbraw/zinc/62/68/32/439626832.db2.gz ARYWNACYBAAYBV-KBPBESRZSA-N 1 1 334.424 0.027 50 0 ECAAMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)C1=O ZINC000585094358 439627419 /nfs/dbraw/zinc/62/74/19/439627419.db2.gz OHDAUGZAQJHJQC-IHRRRGAJSA-N 1 1 326.437 0.879 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000084281280 545710026 /nfs/dbraw/zinc/71/00/26/545710026.db2.gz HRITXSWTSZTCKU-HNNXBMFYSA-N 1 1 345.403 0.700 50 0 ECAAMO CCCn1nc(C(=O)N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000084759104 545713312 /nfs/dbraw/zinc/71/33/12/545713312.db2.gz RIWODYNTBYPFIF-GDBMZVCRSA-N 1 1 348.447 0.836 50 0 ECAAMO C[C@@H]1CN(CCC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012326 /nfs/dbraw/zinc/01/23/26/548012326.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 1 1 327.469 0.306 50 0 ECAAMO C[C@@H]1CN(CCC(=O)NCC[N@H+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012329 /nfs/dbraw/zinc/01/23/29/548012329.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 1 1 327.469 0.306 50 0 ECAAMO COCC1CCN(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000670460671 548016779 /nfs/dbraw/zinc/01/67/79/548016779.db2.gz XYIJUAPGRBPDHE-OAHLLOKOSA-N 1 1 333.498 0.863 50 0 ECAAMO O=C(C[C@H]1CCOC1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670462999 548016766 /nfs/dbraw/zinc/01/67/66/548016766.db2.gz ZZRMZUZUFYONBF-CYBMUJFWSA-N 1 1 344.477 0.571 50 0 ECAAMO CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3c[nH]nn3)ncn2)C1 ZINC000685941532 549727712 /nfs/dbraw/zinc/72/77/12/549727712.db2.gz CRHUQWUMDWONFM-STQMWFEESA-N 1 1 332.412 0.362 50 0 ECAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058821 590053232 /nfs/dbraw/zinc/05/32/32/590053232.db2.gz VVVQJOTYDQDIGH-JKSUJKDBSA-N 1 1 334.464 0.985 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159839698 611466251 /nfs/dbraw/zinc/46/62/51/611466251.db2.gz WGXUBWFDPQGTEI-CQSZACIVSA-N 1 1 344.463 0.972 50 0 ECAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)c1ncccn1)CC2 ZINC000169789936 609746588 /nfs/dbraw/zinc/74/65/88/609746588.db2.gz NKCTZPFSONXTID-AWEZNQCLSA-N 1 1 334.420 0.270 50 0 ECAAMO CCCn1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000952978789 612139923 /nfs/dbraw/zinc/13/99/23/612139923.db2.gz TUCHDXBQXUAWEG-AWEZNQCLSA-N 1 1 344.481 0.882 50 0 ECAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952989580 612140273 /nfs/dbraw/zinc/14/02/73/612140273.db2.gz XLJJOKFJJYEXSB-NSHDSACASA-N 1 1 347.394 0.858 50 0 ECAAMO CC(C)C[N@H+]1CCC[C@@H](c2nnc3n2CCN(S(C)(=O)=O)C3)C1 ZINC000675011516 741332147 /nfs/dbraw/zinc/33/21/47/741332147.db2.gz UYWAPLWXSJROCR-CYBMUJFWSA-N 1 1 341.481 0.889 50 0 ECAAMO OC[C@H](O)C[N@H+]1CCc2nc(CC3CC3)nc(N3CC=CC3)c2CC1 ZINC000105507593 749913461 /nfs/dbraw/zinc/91/34/61/749913461.db2.gz INTKQTNWMRNZEZ-OAHLLOKOSA-N 1 1 344.459 0.559 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000051055645 214077087 /nfs/dbraw/zinc/07/70/87/214077087.db2.gz XYATYIRLZBTZDU-STQMWFEESA-N 1 1 326.441 0.849 50 0 ECAAMO O=C(c1ccon1)N1CC[N@H+](C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000097819536 219059049 /nfs/dbraw/zinc/05/90/49/219059049.db2.gz QVQKBAYHWGKGMS-INIZCTEOSA-N 1 1 327.384 0.961 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N(Cc1ccccc1F)C1CC1 ZINC000061758386 214677342 /nfs/dbraw/zinc/67/73/42/214677342.db2.gz ILOIXKLUKMOURM-UHFFFAOYSA-N 1 1 335.423 0.927 50 0 ECAAMO Cc1nn(C)c2nc(N3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)sc12 ZINC000096148701 282285096 /nfs/dbraw/zinc/28/50/96/282285096.db2.gz VAHYNNNZBGHJEC-RYUDHWBXSA-N 1 1 336.465 0.135 50 0 ECAAMO CNC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998599 529927739 /nfs/dbraw/zinc/92/77/39/529927739.db2.gz DWXOKRBXROCNMV-HZPDHXFCSA-N 1 1 349.406 0.764 50 0 ECAAMO CNC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998599 529927741 /nfs/dbraw/zinc/92/77/41/529927741.db2.gz DWXOKRBXROCNMV-HZPDHXFCSA-N 1 1 349.406 0.764 50 0 ECAAMO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000067286641 215130531 /nfs/dbraw/zinc/13/05/31/215130531.db2.gz XFFNOHTYYZRKTL-MRXNPFEDSA-N 1 1 344.415 0.715 50 0 ECAAMO C[N@@H+]1CCO[C@H](CCNC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000067654117 215175039 /nfs/dbraw/zinc/17/50/39/215175039.db2.gz DEOYZGKCYBPYTN-CYBMUJFWSA-N 1 1 333.388 0.397 50 0 ECAAMO C[N@H+]1CCO[C@H](CCNC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000067654117 215175042 /nfs/dbraw/zinc/17/50/42/215175042.db2.gz DEOYZGKCYBPYTN-CYBMUJFWSA-N 1 1 333.388 0.397 50 0 ECAAMO CCc1ccc(-c2cc(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC)n[nH]2)cc1 ZINC000067688926 215185406 /nfs/dbraw/zinc/18/54/06/215185406.db2.gz AGPAYGVQDDNYEL-CJNGLKHVSA-N 1 1 341.415 0.927 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1nnc2ccccc2c1=O ZINC000040534280 213339991 /nfs/dbraw/zinc/33/99/91/213339991.db2.gz BOKVVTMTSOYRBI-ZDUSSCGKSA-N 1 1 329.404 0.782 50 0 ECAAMO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000040501663 213324715 /nfs/dbraw/zinc/32/47/15/213324715.db2.gz FCZFNKBQHDQLQB-UHFFFAOYSA-N 1 1 325.434 0.211 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000040501663 213324718 /nfs/dbraw/zinc/32/47/18/213324718.db2.gz FCZFNKBQHDQLQB-UHFFFAOYSA-N 1 1 325.434 0.211 50 0 ECAAMO Cc1nn(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2ccccc12 ZINC000036689446 213110265 /nfs/dbraw/zinc/11/02/65/213110265.db2.gz LHCSEXSUEGVXGM-UHFFFAOYSA-N 1 1 344.415 0.543 50 0 ECAAMO O=C(CCc1nc(-c2ccsc2)no1)N1CC[NH+](CCO)CC1 ZINC000032841731 212855281 /nfs/dbraw/zinc/85/52/81/212855281.db2.gz ARBUYUOYHCOEPK-UHFFFAOYSA-N 1 1 336.417 0.867 50 0 ECAAMO CCOc1ncccc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072153774 216042711 /nfs/dbraw/zinc/04/27/11/216042711.db2.gz YXBYPGZBOALBHT-CQSZACIVSA-N 1 1 332.404 0.517 50 0 ECAAMO Cc1nnc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)[nH]1 ZINC000072167204 216057436 /nfs/dbraw/zinc/05/74/36/216057436.db2.gz HKRCSWWHQAKWNQ-AWEZNQCLSA-N 1 1 348.451 0.500 50 0 ECAAMO Cc1cc(CC(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(C)nc2)on1 ZINC000072174504 216065260 /nfs/dbraw/zinc/06/52/60/216065260.db2.gz IMVIRNRBAKOTLD-OAHLLOKOSA-N 1 1 343.387 0.668 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000072234617 216074440 /nfs/dbraw/zinc/07/44/40/216074440.db2.gz WETUUJQMSNSHIE-GFCCVEGCSA-N 1 1 331.376 0.159 50 0 ECAAMO CCC[N@@H+](C)[C@H]1CN(C(=O)CCn2nnc3ccccc32)C[C@@H]1O ZINC000072433155 216227380 /nfs/dbraw/zinc/22/73/80/216227380.db2.gz LUKDAPXEMIRMQD-HOTGVXAUSA-N 1 1 331.420 0.735 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000219309162 241377103 /nfs/dbraw/zinc/37/71/03/241377103.db2.gz YANSZMHHBIROAA-LBPRGKRZSA-N 1 1 335.339 0.487 50 0 ECAAMO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000229713722 242192211 /nfs/dbraw/zinc/19/22/11/242192211.db2.gz ABQRHONVSIYSFY-GJZGRUSLSA-N 1 1 337.445 0.951 50 0 ECAAMO CS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000020567936 212147420 /nfs/dbraw/zinc/14/74/20/212147420.db2.gz MECYHIRRMVUZDI-UHFFFAOYSA-N 1 1 341.433 0.510 50 0 ECAAMO OCC[N@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020453008 212131214 /nfs/dbraw/zinc/13/12/14/212131214.db2.gz MJPFXZFGIJHDSQ-QGZVFWFLSA-N 1 1 347.459 0.990 50 0 ECAAMO Cc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019811453 212071205 /nfs/dbraw/zinc/07/12/05/212071205.db2.gz DHOJGPIPMCHHTQ-UHFFFAOYSA-N 1 1 325.434 0.535 50 0 ECAAMO C/C=C/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000078787807 217120101 /nfs/dbraw/zinc/12/01/01/217120101.db2.gz UITKBYLGNPIMSA-YTXTXJHMSA-N 1 1 348.491 0.816 50 0 ECAAMO CNS(=O)(=O)CCCN1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000078922669 217149647 /nfs/dbraw/zinc/14/96/47/217149647.db2.gz RMUCVINDKLCIPI-UHFFFAOYSA-N 1 1 328.438 0.152 50 0 ECAAMO CNS(=O)(=O)CCC[NH+]1CCN(c2cc(OC)ccn2)CC1 ZINC000078922669 217149650 /nfs/dbraw/zinc/14/96/50/217149650.db2.gz RMUCVINDKLCIPI-UHFFFAOYSA-N 1 1 328.438 0.152 50 0 ECAAMO COc1ccc(/C=C(\NC(C)=O)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000012404096 211369006 /nfs/dbraw/zinc/36/90/06/211369006.db2.gz FMLCAJXWCWGGIK-PTNGSMBKSA-N 1 1 347.415 0.955 50 0 ECAAMO CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)on1 ZINC000091410491 218001418 /nfs/dbraw/zinc/00/14/18/218001418.db2.gz JHNVMHVYBJRYFR-ZIAGYGMSSA-N 1 1 339.436 0.478 50 0 ECAAMO COc1coc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1=O ZINC000091434289 218004894 /nfs/dbraw/zinc/00/48/94/218004894.db2.gz LKSBGLRNXZAODI-GOSISDBHSA-N 1 1 349.431 0.777 50 0 ECAAMO Cc1nccnc1C[N@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C2CC2)C1 ZINC000091444766 218007038 /nfs/dbraw/zinc/00/70/38/218007038.db2.gz ZLABAILTAPJQEC-HIFRSBDPSA-N 1 1 339.465 0.391 50 0 ECAAMO Cc1nccnc1C[N@@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C2CC2)C1 ZINC000091444766 218007041 /nfs/dbraw/zinc/00/70/41/218007041.db2.gz ZLABAILTAPJQEC-HIFRSBDPSA-N 1 1 339.465 0.391 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091547316 218020697 /nfs/dbraw/zinc/02/06/97/218020697.db2.gz XOGUGYGQZBXYBQ-QKPAOTATSA-N 1 1 333.432 0.871 50 0 ECAAMO CNC(=O)c1cccnc1N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091574416 218023358 /nfs/dbraw/zinc/02/33/58/218023358.db2.gz KYMPVXZMQHEIKS-KRWDZBQOSA-N 1 1 331.420 0.232 50 0 ECAAMO Cc1nccn1CCCC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091695119 218050410 /nfs/dbraw/zinc/05/04/10/218050410.db2.gz ZJYGRWKATFKRJP-GOSISDBHSA-N 1 1 347.463 0.785 50 0 ECAAMO COc1c(F)cc(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1F ZINC000091656171 218041207 /nfs/dbraw/zinc/04/12/07/218041207.db2.gz KEPFJKDYERQDJT-ZIAGYGMSSA-N 1 1 344.402 0.938 50 0 ECAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000091664214 218042951 /nfs/dbraw/zinc/04/29/51/218042951.db2.gz NKYXQHOBZHIQNE-ZDUSSCGKSA-N 1 1 334.424 0.210 50 0 ECAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2 ZINC000091848940 218077072 /nfs/dbraw/zinc/07/70/72/218077072.db2.gz NIXKCBHFJQHJIJ-LSDHHAIUSA-N 1 1 343.435 0.823 50 0 ECAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2 ZINC000091848940 218077074 /nfs/dbraw/zinc/07/70/74/218077074.db2.gz NIXKCBHFJQHJIJ-LSDHHAIUSA-N 1 1 343.435 0.823 50 0 ECAAMO COc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c2ccccc12 ZINC000091866994 218081385 /nfs/dbraw/zinc/08/13/85/218081385.db2.gz XWIDKBLBVNFJBR-AWEZNQCLSA-N 1 1 339.395 0.991 50 0 ECAAMO COc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c2ccccc12 ZINC000091866994 218081387 /nfs/dbraw/zinc/08/13/87/218081387.db2.gz XWIDKBLBVNFJBR-AWEZNQCLSA-N 1 1 339.395 0.991 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1CO ZINC000091907962 218086586 /nfs/dbraw/zinc/08/65/86/218086586.db2.gz GFGYRHSXBUQVEW-VXGBXAGGSA-N 1 1 328.359 0.569 50 0 ECAAMO CC1(NC(=O)NC2CC[NH+](CC(N)=O)CC2)Cc2ccccc2C1 ZINC000092163652 218124365 /nfs/dbraw/zinc/12/43/65/218124365.db2.gz OIDKOFOTTOANKU-UHFFFAOYSA-N 1 1 330.432 0.793 50 0 ECAAMO Cc1ccn2c(c1)nc(O)c(C(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000009830185 211127665 /nfs/dbraw/zinc/12/76/65/211127665.db2.gz ZTZKOLSGLVQLQB-UHFFFAOYSA-N 1 1 346.387 0.161 50 0 ECAAMO CCC(CC)NC(=O)Nc1ccn(CC(=O)N2CC[NH+](C)CC2)n1 ZINC000095406036 218342202 /nfs/dbraw/zinc/34/22/02/218342202.db2.gz QIDAKQWTGYJHEK-UHFFFAOYSA-N 1 1 336.440 0.967 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(c2nccc(-c3ccccn3)n2)CC1 ZINC000097514263 219031201 /nfs/dbraw/zinc/03/12/01/219031201.db2.gz FAUYGZCPHZIXQZ-IRXDYDNUSA-N 1 1 341.415 0.810 50 0 ECAAMO C[C@H]1CN(C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739120 258010838 /nfs/dbraw/zinc/01/08/38/258010838.db2.gz KTSKCZVTDMQWFZ-GOEBONIOSA-N 1 1 325.453 0.467 50 0 ECAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]2C1 ZINC000299798018 258101664 /nfs/dbraw/zinc/10/16/64/258101664.db2.gz UJSWWEMAFWDSQU-GRDNDAEWSA-N 1 1 337.420 0.916 50 0 ECAAMO CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000299799966 258103450 /nfs/dbraw/zinc/10/34/50/258103450.db2.gz YAXNBPDLJXWQFR-QGZVFWFLSA-N 1 1 344.459 0.801 50 0 ECAAMO Cc1nnc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)o1 ZINC000299762198 258078742 /nfs/dbraw/zinc/07/87/42/258078742.db2.gz LXIUAOMXPBNIJA-UHFFFAOYSA-N 1 1 331.380 0.158 50 0 ECAAMO COc1cccc(N2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)c1 ZINC000040477948 132399749 /nfs/dbraw/zinc/39/97/49/132399749.db2.gz BNKZQLVSEZROCF-UHFFFAOYSA-N 1 1 344.415 0.415 50 0 ECAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CSCN2)CC1 ZINC000237607294 165099076 /nfs/dbraw/zinc/09/90/76/165099076.db2.gz XUNHMAJYUOXJOY-QLFBSQMISA-N 1 1 326.510 0.666 50 0 ECAAMO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010329331 273778512 /nfs/dbraw/zinc/77/85/12/273778512.db2.gz SBADJXZAFQMSLG-JTQLQIEISA-N 1 1 334.380 0.320 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000069705950 435960299 /nfs/dbraw/zinc/96/02/99/435960299.db2.gz NRMHINOJAWDZNS-UHFFFAOYSA-N 1 1 348.447 0.447 50 0 ECAAMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000069740688 435963153 /nfs/dbraw/zinc/96/31/53/435963153.db2.gz XCSWLPBMZIDXRG-GFCCVEGCSA-N 1 1 337.445 0.809 50 0 ECAAMO CC(C)[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)N1CCCC1=O ZINC000069771575 435966327 /nfs/dbraw/zinc/96/63/27/435966327.db2.gz YPYQELIGYFJWPP-OAHLLOKOSA-N 1 1 325.453 0.549 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000069920788 435976620 /nfs/dbraw/zinc/97/66/20/435976620.db2.gz LOHPZWHGHOHXSR-JTQLQIEISA-N 1 1 334.342 0.968 50 0 ECAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3ccco3)CC2)CC1 ZINC000069951718 435979919 /nfs/dbraw/zinc/97/99/19/435979919.db2.gz WRGFCNZYIBPADM-UHFFFAOYSA-N 1 1 334.420 0.975 50 0 ECAAMO COCCN1CC[NH+](CCCc2nnnn2-c2ccccc2)CC1 ZINC000069950773 435980001 /nfs/dbraw/zinc/98/00/01/435980001.db2.gz RIFYTUVNLYLEFO-UHFFFAOYSA-N 1 1 330.436 0.859 50 0 ECAAMO C[C@@H](O)CN1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000070037026 435981808 /nfs/dbraw/zinc/98/18/08/435981808.db2.gz AHISNTMKSFZAHV-GDBMZVCRSA-N 1 1 326.412 0.702 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000070011666 435984096 /nfs/dbraw/zinc/98/40/96/435984096.db2.gz UKDBHTLFMPDUAZ-INIZCTEOSA-N 1 1 347.463 0.608 50 0 ECAAMO CCCNC(=O)NC(=O)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000070040258 435986881 /nfs/dbraw/zinc/98/68/81/435986881.db2.gz ALPLTLDRWIILLR-MRXNPFEDSA-N 1 1 348.447 0.573 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000071824979 436012974 /nfs/dbraw/zinc/01/29/74/436012974.db2.gz VSNHEISULBEUPW-OWCLPIDISA-N 1 1 335.452 0.069 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1C ZINC000071864244 436018472 /nfs/dbraw/zinc/01/84/72/436018472.db2.gz FQSBITNOBKOSRG-HUUCEWRRSA-N 1 1 337.439 0.871 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000071871134 436020674 /nfs/dbraw/zinc/02/06/74/436020674.db2.gz XZAFVBBYDNUFGW-NWDGAFQWSA-N 1 1 340.449 0.373 50 0 ECAAMO O[C@H](Cn1cccn1)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071877598 436023406 /nfs/dbraw/zinc/02/34/06/436023406.db2.gz LNUJOFVHOYUQNP-HNNXBMFYSA-N 1 1 346.435 0.712 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000071881756 436025177 /nfs/dbraw/zinc/02/51/77/436025177.db2.gz DXESDQUOHQRLSW-OAHLLOKOSA-N 1 1 334.416 0.915 50 0 ECAAMO CCc1nc(CN2CCC[C@H]([N@@H+](C)CCCS(N)(=O)=O)C2)no1 ZINC000071882275 436025434 /nfs/dbraw/zinc/02/54/34/436025434.db2.gz JLCHJXRPSIZBIH-LBPRGKRZSA-N 1 1 345.469 0.207 50 0 ECAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOc1cccnc1 ZINC000015066053 436079340 /nfs/dbraw/zinc/07/93/40/436079340.db2.gz VSRADTYCOXZPBT-HNNXBMFYSA-N 1 1 334.420 0.423 50 0 ECAAMO COCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000019842107 436109094 /nfs/dbraw/zinc/10/90/94/436109094.db2.gz IGPXSMFZTKNUHZ-HNNXBMFYSA-N 1 1 337.464 0.958 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(OC)c(C)c(OC)c2)CC1 ZINC000025229165 436147529 /nfs/dbraw/zinc/14/75/29/436147529.db2.gz SBNKANDKRKPLIR-UHFFFAOYSA-N 1 1 349.431 0.952 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000025233366 436149076 /nfs/dbraw/zinc/14/90/76/436149076.db2.gz PRBTXRCGSGAQEE-UHFFFAOYSA-N 1 1 327.816 0.322 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423872 436149821 /nfs/dbraw/zinc/14/98/21/436149821.db2.gz OONUVEXOJNOPEP-CVEARBPZSA-N 1 1 344.459 0.921 50 0 ECAAMO Cc1n[nH]c(C)c1NC(=O)CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000075132896 436151870 /nfs/dbraw/zinc/15/18/70/436151870.db2.gz NAQACEMQVJYNEM-LBPRGKRZSA-N 1 1 337.468 0.990 50 0 ECAAMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1 ZINC000077458692 436238551 /nfs/dbraw/zinc/23/85/51/436238551.db2.gz ATGPFVAPPLJTCT-CQSZACIVSA-N 1 1 337.420 0.752 50 0 ECAAMO CC(C)C[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H](C)O)CC2)OC1=O ZINC000077469827 436239328 /nfs/dbraw/zinc/23/93/28/436239328.db2.gz UXOLSFPZPTTYSL-AWEZNQCLSA-N 1 1 341.452 0.768 50 0 ECAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000076059092 436188208 /nfs/dbraw/zinc/18/82/08/436188208.db2.gz GIDLCUJLARKGLX-XHDPSFHLSA-N 1 1 337.445 0.591 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000078896302 436283441 /nfs/dbraw/zinc/28/34/41/436283441.db2.gz KLAOTTGSMSOGTR-YJBOKZPZSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000078896302 436283445 /nfs/dbraw/zinc/28/34/45/436283445.db2.gz KLAOTTGSMSOGTR-YJBOKZPZSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000078896302 436283448 /nfs/dbraw/zinc/28/34/48/436283448.db2.gz KLAOTTGSMSOGTR-YJBOKZPZSA-N 1 1 346.475 0.760 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC)cn1C ZINC000044895527 436351304 /nfs/dbraw/zinc/35/13/04/436351304.db2.gz GICNSVZTLLVXHK-LLVKDONJSA-N 1 1 328.438 0.147 50 0 ECAAMO CNC(=O)NC(=O)CCN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000044907438 436352726 /nfs/dbraw/zinc/35/27/26/436352726.db2.gz OTMMBHACBOWQCP-UHFFFAOYSA-N 1 1 346.431 0.585 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000042317051 436300743 /nfs/dbraw/zinc/30/07/43/436300743.db2.gz FUGMAGUGVCOPIT-UHFFFAOYSA-N 1 1 341.209 0.524 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759617 436317412 /nfs/dbraw/zinc/31/74/12/436317412.db2.gz WJIJVSKAXSOPCG-HZPDHXFCSA-N 1 1 334.420 0.618 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000089364890 436410018 /nfs/dbraw/zinc/41/00/18/436410018.db2.gz RSVFWPPPRGOSMK-GFCCVEGCSA-N 1 1 348.407 0.005 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000089364890 436410019 /nfs/dbraw/zinc/41/00/19/436410019.db2.gz RSVFWPPPRGOSMK-GFCCVEGCSA-N 1 1 348.407 0.005 50 0 ECAAMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000046215611 436388586 /nfs/dbraw/zinc/38/85/86/436388586.db2.gz XEAQJOYGQQIRIW-ZDUSSCGKSA-N 1 1 339.461 0.441 50 0 ECAAMO CN(CC(=O)NCC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000046199595 436388635 /nfs/dbraw/zinc/38/86/35/436388635.db2.gz CLHMOESEVOTYFP-UHFFFAOYSA-N 1 1 325.434 0.052 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000085470059 436390044 /nfs/dbraw/zinc/39/00/44/436390044.db2.gz KUIYNQMEQJQONJ-SNVBAGLBSA-N 1 1 347.209 0.807 50 0 ECAAMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](CCn3cccn3)C2)no1 ZINC000089290002 436407868 /nfs/dbraw/zinc/40/78/68/436407868.db2.gz IAQLFUDHOQXXHT-CQSZACIVSA-N 1 1 332.408 0.952 50 0 ECAAMO C[C@@H](C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1cncn1 ZINC000044934192 436354187 /nfs/dbraw/zinc/35/41/87/436354187.db2.gz CNMRWJZLYDPXJW-DOTOQJQBSA-N 1 1 342.447 0.944 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(c2ncc(C)c(N(C)C)n2)C[C@@H]1CO ZINC000091460140 436451102 /nfs/dbraw/zinc/45/11/02/436451102.db2.gz PEUKBGBOBNJQMO-HUUCEWRRSA-N 1 1 337.468 0.474 50 0 ECAAMO Nc1ncccc1C[N@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091829782 436460441 /nfs/dbraw/zinc/46/04/41/436460441.db2.gz NWFBHZNWLWFPDU-WBVHZDCISA-N 1 1 334.464 0.959 50 0 ECAAMO Nc1ncccc1CN1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091829782 436460445 /nfs/dbraw/zinc/46/04/45/436460445.db2.gz NWFBHZNWLWFPDU-WBVHZDCISA-N 1 1 334.464 0.959 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000089948593 436423821 /nfs/dbraw/zinc/42/38/21/436423821.db2.gz FFJJQNCULMPJJS-ZBFHGGJFSA-N 1 1 348.447 0.498 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cn1 ZINC000096012392 436503117 /nfs/dbraw/zinc/50/31/17/436503117.db2.gz PULHJAIPOGZPKQ-UHFFFAOYSA-N 1 1 345.451 0.986 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cn1 ZINC000096012392 436503122 /nfs/dbraw/zinc/50/31/22/436503122.db2.gz PULHJAIPOGZPKQ-UHFFFAOYSA-N 1 1 345.451 0.986 50 0 ECAAMO CN1CCN(c2ncccc2C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000058316922 436624097 /nfs/dbraw/zinc/62/40/97/436624097.db2.gz LHIKRQWLMOQRBD-HNNXBMFYSA-N 1 1 341.463 0.861 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000058378386 436624751 /nfs/dbraw/zinc/62/47/51/436624751.db2.gz OFAGESSXNFVTJG-CYBMUJFWSA-N 1 1 347.419 0.886 50 0 ECAAMO C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058412101 436625292 /nfs/dbraw/zinc/62/52/92/436625292.db2.gz JSVWBCHRSOKCIR-LLVKDONJSA-N 1 1 336.417 0.562 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058412101 436625295 /nfs/dbraw/zinc/62/52/95/436625295.db2.gz JSVWBCHRSOKCIR-LLVKDONJSA-N 1 1 336.417 0.562 50 0 ECAAMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056186 436589773 /nfs/dbraw/zinc/58/97/73/436589773.db2.gz RGGDCFPXNUBCGX-UPJWGTAASA-N 1 1 325.409 0.139 50 0 ECAAMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056186 436589776 /nfs/dbraw/zinc/58/97/76/436589776.db2.gz RGGDCFPXNUBCGX-UPJWGTAASA-N 1 1 325.409 0.139 50 0 ECAAMO C[C@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000106563454 436599477 /nfs/dbraw/zinc/59/94/77/436599477.db2.gz HEYCMLFSSRDVQG-RBSFLKMASA-N 1 1 345.509 0.895 50 0 ECAAMO CC[C@@H]1CN(CC(=O)NCCOc2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000106929190 436607128 /nfs/dbraw/zinc/60/71/28/436607128.db2.gz SXYDTVGHINHVBA-DLBZAZTESA-N 1 1 349.475 0.959 50 0 ECAAMO NC(=O)CC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058217935 436621630 /nfs/dbraw/zinc/62/16/30/436621630.db2.gz CJFFMJWRGFEMKQ-INIZCTEOSA-N 1 1 331.464 0.791 50 0 ECAAMO CCn1cc(NC(=O)C2CC[NH+](CC(=O)NC(=O)NC)CC2)cn1 ZINC000063516834 436644240 /nfs/dbraw/zinc/64/42/40/436644240.db2.gz VDNRUPUYICFYHC-UHFFFAOYSA-N 1 1 336.396 0.009 50 0 ECAAMO Cc1cc(=O)[nH]c(NCCNC[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)n1 ZINC000063856384 436646491 /nfs/dbraw/zinc/64/64/91/436646491.db2.gz LUKRKAVRIBDBEA-RHSMWYFYSA-N 1 1 335.452 0.459 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000225420112 436710795 /nfs/dbraw/zinc/71/07/95/436710795.db2.gz SLHRFGQHMUGZPD-XOUADPBQSA-N 1 1 334.416 0.690 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000225420112 436710797 /nfs/dbraw/zinc/71/07/97/436710797.db2.gz SLHRFGQHMUGZPD-XOUADPBQSA-N 1 1 334.416 0.690 50 0 ECAAMO COc1cccc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)c1OC ZINC000065460443 436663743 /nfs/dbraw/zinc/66/37/43/436663743.db2.gz NTIYYOIJCJMBPA-RDTXWAMCSA-N 1 1 333.432 0.514 50 0 ECAAMO C[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[N@@H+](C)C1CC1 ZINC000065534452 436666862 /nfs/dbraw/zinc/66/68/62/436666862.db2.gz JWSRIVPKFCWTKQ-SNVBAGLBSA-N 1 1 339.417 0.779 50 0 ECAAMO COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1 ZINC000065530505 436667376 /nfs/dbraw/zinc/66/73/76/436667376.db2.gz BVXRAVWVPFLODB-OAHLLOKOSA-N 1 1 331.416 0.661 50 0 ECAAMO O=C(c1nc2c(s1)CCCC2)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067805393 436723958 /nfs/dbraw/zinc/72/39/58/436723958.db2.gz MSBDPORWQWETFP-UHFFFAOYSA-N 1 1 334.445 0.716 50 0 ECAAMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](C)C(=O)OC)C2 ZINC000242389270 436759085 /nfs/dbraw/zinc/75/90/85/436759085.db2.gz ZVQWFHHWSFKMRU-LLVKDONJSA-N 1 1 326.418 0.762 50 0 ECAAMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](C)C(=O)OC)C2 ZINC000242389270 436759089 /nfs/dbraw/zinc/75/90/89/436759089.db2.gz ZVQWFHHWSFKMRU-LLVKDONJSA-N 1 1 326.418 0.762 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000272564679 436718505 /nfs/dbraw/zinc/71/85/05/436718505.db2.gz KBZDKCMJEBXDOH-GDBMZVCRSA-N 1 1 346.431 0.786 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000069508074 436777750 /nfs/dbraw/zinc/77/77/50/436777750.db2.gz TZEOFDZBIRDLSR-CQSZACIVSA-N 1 1 345.399 0.970 50 0 ECAAMO CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000069571145 436781381 /nfs/dbraw/zinc/78/13/81/436781381.db2.gz GIFNBKWTLCILKA-CQSZACIVSA-N 1 1 333.436 0.784 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000248004951 436799677 /nfs/dbraw/zinc/79/96/77/436799677.db2.gz DIJRTZYUKXEPQF-GJZGRUSLSA-N 1 1 348.451 0.144 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000248004951 436799679 /nfs/dbraw/zinc/79/96/79/436799679.db2.gz DIJRTZYUKXEPQF-GJZGRUSLSA-N 1 1 348.451 0.144 50 0 ECAAMO COC(=O)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)o1 ZINC000253417420 436843446 /nfs/dbraw/zinc/84/34/46/436843446.db2.gz FHGTVMVBENIDSM-UHFFFAOYSA-N 1 1 330.406 0.827 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252477158 436832335 /nfs/dbraw/zinc/83/23/35/436832335.db2.gz JFLQFUZRBMWQDW-LVQVYYBASA-N 1 1 347.525 0.986 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252477158 436832342 /nfs/dbraw/zinc/83/23/42/436832342.db2.gz JFLQFUZRBMWQDW-LVQVYYBASA-N 1 1 347.525 0.986 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C ZINC000252496466 436835050 /nfs/dbraw/zinc/83/50/50/436835050.db2.gz PJCVVVSPUYUMFL-KGLIPLIRSA-N 1 1 348.447 0.621 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C ZINC000252496466 436835052 /nfs/dbraw/zinc/83/50/52/436835052.db2.gz PJCVVVSPUYUMFL-KGLIPLIRSA-N 1 1 348.447 0.621 50 0 ECAAMO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000163530069 436924236 /nfs/dbraw/zinc/92/42/36/436924236.db2.gz YURFAMVUAFGSIH-CVEARBPZSA-N 1 1 337.395 0.304 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C(N)=O ZINC000257365421 436876251 /nfs/dbraw/zinc/87/62/51/436876251.db2.gz HYSKEEXJMTUPEM-OLZOCXBDSA-N 1 1 337.445 0.951 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000257365938 436876838 /nfs/dbraw/zinc/87/68/38/436876838.db2.gz CRNVFGAAYOKHHB-LSDHHAIUSA-N 1 1 337.420 0.178 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCc1nncn1CCc1ccccc1 ZINC000299763994 437109219 /nfs/dbraw/zinc/10/92/19/437109219.db2.gz IOIPVRAWAVAAPG-INIZCTEOSA-N 1 1 343.431 0.594 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1nncn1CCc1ccccc1 ZINC000299763994 437109226 /nfs/dbraw/zinc/10/92/26/437109226.db2.gz IOIPVRAWAVAAPG-INIZCTEOSA-N 1 1 343.431 0.594 50 0 ECAAMO C[C@@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C)CC1 ZINC000426383089 438057785 /nfs/dbraw/zinc/05/77/85/438057785.db2.gz HOISCAUUAWOCKP-LBPRGKRZSA-N 1 1 329.408 0.119 50 0 ECAAMO Cc1cc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)ccn1 ZINC000426521521 438062392 /nfs/dbraw/zinc/06/23/92/438062392.db2.gz UAKXXYOJBLIEOY-CQSZACIVSA-N 1 1 329.404 0.544 50 0 ECAAMO COCc1nc(C)c(CNC(=O)[C@H]2CCC[N@@H+](CCO)C2)s1 ZINC000426496948 438063212 /nfs/dbraw/zinc/06/32/12/438063212.db2.gz NMBGKRXCPXSFMZ-LBPRGKRZSA-N 1 1 327.450 0.918 50 0 ECAAMO CCOC1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426618035 438068366 /nfs/dbraw/zinc/06/83/66/438068366.db2.gz AJBCSOBFAYFTEK-ZDUSSCGKSA-N 1 1 336.436 1.390 50 0 ECAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1=O ZINC000426615386 438069353 /nfs/dbraw/zinc/06/93/53/438069353.db2.gz GUEUXDJMGFKKNG-AWEZNQCLSA-N 1 1 347.415 0.327 50 0 ECAAMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1=O ZINC000426615386 438069357 /nfs/dbraw/zinc/06/93/57/438069357.db2.gz GUEUXDJMGFKKNG-AWEZNQCLSA-N 1 1 347.415 0.327 50 0 ECAAMO Cc1cn2nc(N[C@H]3CC[N@H+](C[C@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522861 438582918 /nfs/dbraw/zinc/58/29/18/438582918.db2.gz DIVHRDHIMDZBME-QWRGUYRKSA-N 1 1 329.326 1.447 50 0 ECAAMO Cc1cn2nc(N[C@H]3CC[N@@H+](C[C@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522861 438582921 /nfs/dbraw/zinc/58/29/21/438582921.db2.gz DIVHRDHIMDZBME-QWRGUYRKSA-N 1 1 329.326 1.447 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000534658738 439532085 /nfs/dbraw/zinc/53/20/85/439532085.db2.gz SWSAIGPPIIZDFY-ZDUSSCGKSA-N 1 1 342.465 0.912 50 0 ECAAMO O=C(C[C@@H](O)c1cccc(F)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000585136731 439633560 /nfs/dbraw/zinc/63/35/60/439633560.db2.gz QTTLFNCCNBVTIW-JKSUJKDBSA-N 1 1 349.406 0.672 50 0 ECAAMO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(N)=O ZINC000646550348 441072278 /nfs/dbraw/zinc/07/22/78/441072278.db2.gz FRUHGKTYFGXPJJ-VNQPRFMTSA-N 1 1 330.432 0.150 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C2)o1 ZINC000084258715 545709348 /nfs/dbraw/zinc/70/93/48/545709348.db2.gz SZFXODIMRAHNGZ-LSDHHAIUSA-N 1 1 336.436 0.642 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C2)o1 ZINC000084258715 545709356 /nfs/dbraw/zinc/70/93/56/545709356.db2.gz SZFXODIMRAHNGZ-LSDHHAIUSA-N 1 1 336.436 0.642 50 0 ECAAMO C[NH+]1CCN(C(=O)Cn2ccc(NCC3(C)CCOCC3)n2)CC1 ZINC000097375280 545731187 /nfs/dbraw/zinc/73/11/87/545731187.db2.gz RBNMFPMZMPQIGU-UHFFFAOYSA-N 1 1 335.452 0.886 50 0 ECAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCC(=O)N2CCOCC2)C[C@H]1C ZINC000329498485 546026057 /nfs/dbraw/zinc/02/60/57/546026057.db2.gz GUVXONYFSUIMHQ-HUUCEWRRSA-N 1 1 325.453 0.957 50 0 ECAAMO NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155989254 611442722 /nfs/dbraw/zinc/44/27/22/611442722.db2.gz HDRIPNKFYFMJNS-UHFFFAOYSA-N 1 1 342.403 0.728 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@H](c2cccnc2)C(F)(F)F)C1 ZINC000952967608 612139429 /nfs/dbraw/zinc/13/94/29/612139429.db2.gz IEVFYDNQUNODQS-WCQYABFASA-N 1 1 344.337 0.999 50 0 ECAAMO COc1ccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1 ZINC000952982047 612139908 /nfs/dbraw/zinc/13/99/08/612139908.db2.gz ZFABDQQSOMWDSK-LLVKDONJSA-N 1 1 345.403 0.385 50 0 ECAAMO Cc1[nH][nH]c(=O)c1CC(=O)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000299762082 742090670 /nfs/dbraw/zinc/09/06/70/742090670.db2.gz RFQIBQQQSMJFTG-ZDUSSCGKSA-N 1 1 336.436 0.249 50 0 ECAAMO Cc1nnnn1Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000097730060 219051118 /nfs/dbraw/zinc/05/11/18/219051118.db2.gz YWERVRJQHVMSGP-UHFFFAOYSA-N 1 1 344.419 0.482 50 0 ECAAMO C[NH+](C)[C@H](C(=O)N1CC(N2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000223622622 282231426 /nfs/dbraw/zinc/23/14/26/282231426.db2.gz IAIGECPIKGATLC-KRWDZBQOSA-N 1 1 347.415 0.561 50 0 ECAAMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)no1 ZINC000067820203 215220942 /nfs/dbraw/zinc/22/09/42/215220942.db2.gz NZCHTIFBFLFCQT-UHFFFAOYSA-N 1 1 349.435 0.550 50 0 ECAAMO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)no1 ZINC000067820203 215220946 /nfs/dbraw/zinc/22/09/46/215220946.db2.gz NZCHTIFBFLFCQT-UHFFFAOYSA-N 1 1 349.435 0.550 50 0 ECAAMO Cc1ccnc(NCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000067884840 215240660 /nfs/dbraw/zinc/24/06/60/215240660.db2.gz CVIZCUICMIFYTK-CQSZACIVSA-N 1 1 343.435 0.823 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040512823 213329245 /nfs/dbraw/zinc/32/92/45/213329245.db2.gz WZZFIWSPICNRKS-CQSZACIVSA-N 1 1 325.434 0.316 50 0 ECAAMO COc1ccc2c(c1)CCCN2C(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000069902164 215628065 /nfs/dbraw/zinc/62/80/65/215628065.db2.gz USAZJABFTLVGSL-OAHLLOKOSA-N 1 1 347.459 0.973 50 0 ECAAMO C[C@H]1C[C@H](NC(=O)NCC2(OCCO)CCOCC2)C[N@H+]1C1CC1 ZINC000253394440 291138667 /nfs/dbraw/zinc/13/86/67/291138667.db2.gz DZLPVCNTXGZPTA-KBPBESRZSA-N 1 1 341.452 0.469 50 0 ECAAMO CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000072273215 216096660 /nfs/dbraw/zinc/09/66/60/216096660.db2.gz MLIQBINTKJKEOW-ZDUSSCGKSA-N 1 1 325.434 0.553 50 0 ECAAMO O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072424908 216215165 /nfs/dbraw/zinc/21/51/65/216215165.db2.gz PMQOKRPRTOWOKM-AWEZNQCLSA-N 1 1 339.359 0.400 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000072426855 216217731 /nfs/dbraw/zinc/21/77/31/216217731.db2.gz YSHWTEDPZLAVJD-UHFFFAOYSA-N 1 1 348.447 0.781 50 0 ECAAMO O=C([C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCCO1 ZINC000023506490 212381893 /nfs/dbraw/zinc/38/18/93/212381893.db2.gz IGCKRZDCKATWDJ-AWEZNQCLSA-N 1 1 325.409 0.111 50 0 ECAAMO COc1cc(C[N@@H+]2CC[C@](O)(CO)C2)cc(Cl)c1OCC(N)=O ZINC000215506811 241127985 /nfs/dbraw/zinc/12/79/85/241127985.db2.gz PZQLLFRDKVHRTP-OAHLLOKOSA-N 1 1 344.795 0.142 50 0 ECAAMO COc1cc(C[N@H+]2CC[C@](O)(CO)C2)cc(Cl)c1OCC(N)=O ZINC000215506811 241127993 /nfs/dbraw/zinc/12/79/93/241127993.db2.gz PZQLLFRDKVHRTP-OAHLLOKOSA-N 1 1 344.795 0.142 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943698 212265720 /nfs/dbraw/zinc/26/57/20/212265720.db2.gz AJSOMUUJIYMRGG-ZDUSSCGKSA-N 1 1 344.415 0.301 50 0 ECAAMO C[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229810565 242201094 /nfs/dbraw/zinc/20/10/94/242201094.db2.gz WXJRGYMMXKZRTN-MCIONIFRSA-N 1 1 331.482 0.935 50 0 ECAAMO Cc1nnnn1CCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000244707784 243062765 /nfs/dbraw/zinc/06/27/65/243062765.db2.gz KHNJEYLDAJVJOB-UHFFFAOYSA-N 1 1 329.408 0.501 50 0 ECAAMO Cc1nnnn1CCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000244707784 243062768 /nfs/dbraw/zinc/06/27/68/243062768.db2.gz KHNJEYLDAJVJOB-UHFFFAOYSA-N 1 1 329.408 0.501 50 0 ECAAMO CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2c[nH+]c(C)c2C)C1 ZINC000244718812 243067382 /nfs/dbraw/zinc/06/73/82/243067382.db2.gz LRFZPZZPQVHGGO-BETUJISGSA-N 1 1 332.408 0.666 50 0 ECAAMO O=c1c(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)coc2ccccc12 ZINC000020535250 212144632 /nfs/dbraw/zinc/14/46/32/212144632.db2.gz FSEAIGWBTWBKQY-HOTGVXAUSA-N 1 1 330.384 0.670 50 0 ECAAMO O=c1c(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)coc2ccccc12 ZINC000020535250 212144634 /nfs/dbraw/zinc/14/46/34/212144634.db2.gz FSEAIGWBTWBKQY-HOTGVXAUSA-N 1 1 330.384 0.670 50 0 ECAAMO Cc1cc(=O)n(CC[N@@H+]2CCOc3ccc(CO)cc3C2)c(=O)[nH]1 ZINC000253536647 244012499 /nfs/dbraw/zinc/01/24/99/244012499.db2.gz JIOBSTBDGKAOEZ-UHFFFAOYSA-N 1 1 331.372 0.644 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+]2CCOc3ccc(CO)cc3C2)c(=O)[nH]1 ZINC000253536647 244012501 /nfs/dbraw/zinc/01/25/01/244012501.db2.gz JIOBSTBDGKAOEZ-UHFFFAOYSA-N 1 1 331.372 0.644 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CC1 ZINC000019527835 212038161 /nfs/dbraw/zinc/03/81/61/212038161.db2.gz NNPNUGMJUGLSSQ-UHFFFAOYSA-N 1 1 339.461 0.925 50 0 ECAAMO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)no1 ZINC000078891617 217140715 /nfs/dbraw/zinc/14/07/15/217140715.db2.gz QEDWIIHBGYYXMF-LBPRGKRZSA-N 1 1 345.469 0.248 50 0 ECAAMO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)no1 ZINC000078891617 217140720 /nfs/dbraw/zinc/14/07/20/217140720.db2.gz QEDWIIHBGYYXMF-LBPRGKRZSA-N 1 1 345.469 0.248 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCC2 ZINC000012430458 211378422 /nfs/dbraw/zinc/37/84/22/211378422.db2.gz DCSVBNQJBOIVBC-ZDUSSCGKSA-N 1 1 348.451 0.077 50 0 ECAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1C(=O)CNC1=O ZINC000091494213 218014485 /nfs/dbraw/zinc/01/44/85/218014485.db2.gz WMLVBBPHXGOXOX-OAHLLOKOSA-N 1 1 344.415 0.519 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC(=O)N(C)C ZINC000091635443 218036331 /nfs/dbraw/zinc/03/63/31/218036331.db2.gz BNXJQQMKJAMPFH-UONOGXRCSA-N 1 1 334.420 0.802 50 0 ECAAMO CCC[C@H]1C[N@H+](Cc2c[nH]cn2)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091651515 218041026 /nfs/dbraw/zinc/04/10/26/218041026.db2.gz QKHLWWHKQIMAGN-ZFWWWQNUSA-N 1 1 333.436 0.749 50 0 ECAAMO CCC[C@H]1C[N@@H+](Cc2c[nH]cn2)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091651515 218041027 /nfs/dbraw/zinc/04/10/27/218041027.db2.gz QKHLWWHKQIMAGN-ZFWWWQNUSA-N 1 1 333.436 0.749 50 0 ECAAMO COCCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091745628 218057313 /nfs/dbraw/zinc/05/73/13/218057313.db2.gz DWLDOCQYLZKOOK-MRXNPFEDSA-N 1 1 338.408 0.065 50 0 ECAAMO CN(C)c1ccc(CCNC(=O)C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000091770550 218063718 /nfs/dbraw/zinc/06/37/18/218063718.db2.gz DRHSSQGNLJDDJZ-UHFFFAOYSA-N 1 1 332.448 0.609 50 0 ECAAMO C[N@H+]1CCN(c2ccnc(N)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000092081450 218116910 /nfs/dbraw/zinc/11/69/10/218116910.db2.gz ALEUPZPGFYLWAY-SFHVURJKSA-N 1 1 344.463 0.972 50 0 ECAAMO COc1ccc(C)cc1N1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000009225514 211055451 /nfs/dbraw/zinc/05/54/51/211055451.db2.gz ZQKWYAFPFKBGDX-CQSZACIVSA-N 1 1 345.399 0.833 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2cnc(-c3cccnc3)nc2)CC1 ZINC000095364166 218297092 /nfs/dbraw/zinc/29/70/92/218297092.db2.gz GXWQNPIRFIKBMV-UHFFFAOYSA-N 1 1 340.431 0.906 50 0 ECAAMO CN(C)c1cc[nH+]c(N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 ZINC000095428420 218370888 /nfs/dbraw/zinc/37/08/88/218370888.db2.gz IOOQJYRBCLURQZ-UHFFFAOYSA-N 1 1 329.408 0.675 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000095455680 218398082 /nfs/dbraw/zinc/39/80/82/218398082.db2.gz HBXMPKCLRCYWTG-OAHLLOKOSA-N 1 1 332.514 0.675 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000095455680 218398083 /nfs/dbraw/zinc/39/80/83/218398083.db2.gz HBXMPKCLRCYWTG-OAHLLOKOSA-N 1 1 332.514 0.675 50 0 ECAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000097474974 219028268 /nfs/dbraw/zinc/02/82/68/219028268.db2.gz QNZFWIQXEPONBC-KRWDZBQOSA-N 1 1 332.448 0.694 50 0 ECAAMO CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000496469414 255102952 /nfs/dbraw/zinc/10/29/52/255102952.db2.gz LVHWRJLWSIDMFI-ZIAGYGMSSA-N 1 1 338.452 0.502 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCSC2)CC1 ZINC000366154211 258001811 /nfs/dbraw/zinc/00/18/11/258001811.db2.gz YWSKWBBYRJRIPR-KBPBESRZSA-N 1 1 340.493 0.688 50 0 ECAAMO Cc1csc([C@@H]2COCCN2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000282485932 258013161 /nfs/dbraw/zinc/01/31/61/258013161.db2.gz MBQJOVNEKUNZOX-AWEZNQCLSA-N 1 1 338.477 0.989 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2nnc3nc(C)ccn32)C1 ZINC000299768783 258082604 /nfs/dbraw/zinc/08/26/04/258082604.db2.gz ZCULMVIVKWSVTF-ZDUSSCGKSA-N 1 1 332.408 0.473 50 0 ECAAMO Cn1c(=O)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)n(C)c1=O ZINC000040477945 132399720 /nfs/dbraw/zinc/39/97/20/132399720.db2.gz AUNJDVSWVLNZKY-UHFFFAOYSA-N 1 1 330.388 0.112 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000071881997 286171555 /nfs/dbraw/zinc/17/15/55/286171555.db2.gz UNRWBBQGECWYFY-BZUAXINKSA-N 1 1 336.436 0.065 50 0 ECAAMO COc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)ccc1O ZINC000091321894 286199802 /nfs/dbraw/zinc/19/98/02/286199802.db2.gz JKMCAXYRKZZFHR-ZIAGYGMSSA-N 1 1 338.404 0.005 50 0 ECAAMO COCCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247220454 165155568 /nfs/dbraw/zinc/15/55/68/165155568.db2.gz QLJSGGSQWRKXTR-CABCVRRESA-N 1 1 335.452 0.918 50 0 ECAAMO Cn1nc(Br)c2c1ncnc2N1CC[NH+](CCO)CC1 ZINC000069772043 274900906 /nfs/dbraw/zinc/90/09/06/274900906.db2.gz SXTSJLSNMLZAGK-UHFFFAOYSA-N 1 1 341.213 0.240 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046140897 279210799 /nfs/dbraw/zinc/21/07/99/279210799.db2.gz AHGNLMGRZOOQMW-UHFFFAOYSA-N 1 1 343.424 0.523 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000069741399 435961583 /nfs/dbraw/zinc/96/15/83/435961583.db2.gz NRLXLIVFLBSAFS-GDBMZVCRSA-N 1 1 333.432 0.625 50 0 ECAAMO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000069778433 435965711 /nfs/dbraw/zinc/96/57/11/435965711.db2.gz BXMVREFCKSSPGP-LBPRGKRZSA-N 1 1 346.387 0.669 50 0 ECAAMO COC(=O)CNC(=O)CCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000069772870 435966151 /nfs/dbraw/zinc/96/61/51/435966151.db2.gz BJDBZZVKTCGTSJ-UHFFFAOYSA-N 1 1 333.432 0.792 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069820287 435968185 /nfs/dbraw/zinc/96/81/85/435968185.db2.gz LLSVZXOCOZEKGW-AEFFLSMTSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069820287 435968193 /nfs/dbraw/zinc/96/81/93/435968193.db2.gz LLSVZXOCOZEKGW-AEFFLSMTSA-N 1 1 347.459 0.585 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000069898251 435975030 /nfs/dbraw/zinc/97/50/30/435975030.db2.gz KGRGWQAZBCWVHQ-GJZGRUSLSA-N 1 1 334.420 0.059 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccnn1Cc1ccccc1 ZINC000069951499 435979397 /nfs/dbraw/zinc/97/93/97/435979397.db2.gz ALQBWBNQFBSFSR-UHFFFAOYSA-N 1 1 343.431 0.480 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000069980931 435980321 /nfs/dbraw/zinc/98/03/21/435980321.db2.gz CCZFQJOVLXDZSJ-HZPDHXFCSA-N 1 1 332.448 0.823 50 0 ECAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000071759729 436009093 /nfs/dbraw/zinc/00/90/93/436009093.db2.gz NDJYXJCEZGKODE-HNNXBMFYSA-N 1 1 347.463 0.920 50 0 ECAAMO CC(C)c1ncc(Cl)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000071841325 436018302 /nfs/dbraw/zinc/01/83/02/436018302.db2.gz VOVROVCAXMJKEY-UHFFFAOYSA-N 1 1 339.827 0.933 50 0 ECAAMO CC[C@@H]1CN(CC(=O)N(C)c2nccs2)CC[N@H+]1C[C@@H](C)O ZINC000071864693 436018750 /nfs/dbraw/zinc/01/87/50/436018750.db2.gz DZZJLXKYHHYUMR-CHWSQXEVSA-N 1 1 326.466 0.883 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 ZINC000071871311 436020453 /nfs/dbraw/zinc/02/04/53/436020453.db2.gz MWXMTNBQGQVBQI-GFCCVEGCSA-N 1 1 326.828 0.696 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 ZINC000071871328 436020646 /nfs/dbraw/zinc/02/06/46/436020646.db2.gz QRVFXGUDWGDPEN-QWRGUYRKSA-N 1 1 345.241 0.732 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000071871280 436021945 /nfs/dbraw/zinc/02/19/45/436021945.db2.gz QXLJFEMIJMZRCN-AWEZNQCLSA-N 1 1 329.404 0.335 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)CC1 ZINC000071881820 436024850 /nfs/dbraw/zinc/02/48/50/436024850.db2.gz VYQFFKBANWQUTC-CHWSQXEVSA-N 1 1 347.415 0.935 50 0 ECAAMO COc1ccc(CCNC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000071877436 436025273 /nfs/dbraw/zinc/02/52/73/436025273.db2.gz XFAVNUBIEQSDFY-HZPDHXFCSA-N 1 1 349.475 0.741 50 0 ECAAMO C[N@H+](CCCS(N)(=O)=O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000071900658 436026980 /nfs/dbraw/zinc/02/69/80/436026980.db2.gz GKTICFYKSFFRMQ-ZDUSSCGKSA-N 1 1 329.397 0.541 50 0 ECAAMO C[N@@H+](CCCS(N)(=O)=O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000071900658 436026987 /nfs/dbraw/zinc/02/69/87/436026987.db2.gz GKTICFYKSFFRMQ-ZDUSSCGKSA-N 1 1 329.397 0.541 50 0 ECAAMO COCCN1CC[N@@H+](CCCn2cnc3c2ncnc3N)C[C@@H]1C ZINC000072279857 436038520 /nfs/dbraw/zinc/03/85/20/436038520.db2.gz QYNJOPZPGGZFOV-ZDUSSCGKSA-N 1 1 333.440 0.451 50 0 ECAAMO COCC[N@@H+]1CCN(CCCn2cnc3c2ncnc3N)C[C@@H]1C ZINC000072279857 436038522 /nfs/dbraw/zinc/03/85/22/436038522.db2.gz QYNJOPZPGGZFOV-ZDUSSCGKSA-N 1 1 333.440 0.451 50 0 ECAAMO COCC[N@H+]1CCN(CCCn2cnc3c2ncnc3N)C[C@@H]1C ZINC000072279857 436038527 /nfs/dbraw/zinc/03/85/27/436038527.db2.gz QYNJOPZPGGZFOV-ZDUSSCGKSA-N 1 1 333.440 0.451 50 0 ECAAMO C[NH+](C)CCNC(=O)CCC1CCN(Cc2cnc(N)nc2)CC1 ZINC000012592674 436051492 /nfs/dbraw/zinc/05/14/92/436051492.db2.gz TVAVPASTPTUFTL-UHFFFAOYSA-N 1 1 334.468 0.729 50 0 ECAAMO C[NH+]1CCN(C2=N[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2)CC1 ZINC000013735544 436064212 /nfs/dbraw/zinc/06/42/12/436064212.db2.gz SMOCENZPTRIHHF-CYBMUJFWSA-N 1 1 349.822 0.770 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000024060117 436132095 /nfs/dbraw/zinc/13/20/95/436132095.db2.gz VELPQSSFJZIMBT-GFCCVEGCSA-N 1 1 337.445 0.955 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000025316680 436151555 /nfs/dbraw/zinc/15/15/55/436151555.db2.gz PMQLMDZNBIKGJT-CYBMUJFWSA-N 1 1 337.445 0.489 50 0 ECAAMO Cc1n[nH]c(C)c1NC(=O)CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000075132893 436153008 /nfs/dbraw/zinc/15/30/08/436153008.db2.gz NAQACEMQVJYNEM-GFCCVEGCSA-N 1 1 337.468 0.990 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075604181 436167126 /nfs/dbraw/zinc/16/71/26/436167126.db2.gz KSWQFCVYIMOUQQ-UHFFFAOYSA-N 1 1 348.451 0.210 50 0 ECAAMO CCCCN(C)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077436293 436238182 /nfs/dbraw/zinc/23/81/82/436238182.db2.gz NMPPQWGAGREQPW-QWHCGFSZSA-N 1 1 339.465 0.288 50 0 ECAAMO CCC[N@@H+](Cc1ccc(C(=O)NC[C@H]2COCCO2)c(=O)[nH]1)C1CC1 ZINC000077298968 436230632 /nfs/dbraw/zinc/23/06/32/436230632.db2.gz CXHOBWPWHSZHBU-HNNXBMFYSA-N 1 1 349.431 0.895 50 0 ECAAMO Cc1nnc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000040526520 436266930 /nfs/dbraw/zinc/26/69/30/436266930.db2.gz KNWMVVSIQHBPMU-RYUDHWBXSA-N 1 1 341.437 0.705 50 0 ECAAMO COc1ccc([C@@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000044896144 436352665 /nfs/dbraw/zinc/35/26/65/436352665.db2.gz BKQLJFHEXQUTMP-OAHLLOKOSA-N 1 1 343.449 0.465 50 0 ECAAMO CN(C)c1[nH+]cc(CNC(=O)N2CCN(c3ccccn3)CC2)n1C ZINC000083739317 436376586 /nfs/dbraw/zinc/37/65/86/436376586.db2.gz RCJLUIFOXZWUMS-UHFFFAOYSA-N 1 1 343.435 0.913 50 0 ECAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000084026883 436377288 /nfs/dbraw/zinc/37/72/88/436377288.db2.gz GTBFJNXYCDPEHR-RYUDHWBXSA-N 1 1 346.387 0.496 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cc1 ZINC000084597391 436382181 /nfs/dbraw/zinc/38/21/81/436382181.db2.gz OFOJHQQBEVFPFL-GOSISDBHSA-N 1 1 344.415 0.951 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735911 436384435 /nfs/dbraw/zinc/38/44/35/436384435.db2.gz NTTOAHSAIXTJQM-KGLIPLIRSA-N 1 1 344.419 0.236 50 0 ECAAMO CCN(C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000084774590 436386237 /nfs/dbraw/zinc/38/62/37/436386237.db2.gz MTJSXOKIBDBAON-HOTGVXAUSA-N 1 1 346.435 0.261 50 0 ECAAMO CCN(C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000084774590 436386240 /nfs/dbraw/zinc/38/62/40/436386240.db2.gz MTJSXOKIBDBAON-HOTGVXAUSA-N 1 1 346.435 0.261 50 0 ECAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2=NN(C)C(=O)CC2)ccn1 ZINC000047013846 436407559 /nfs/dbraw/zinc/40/75/59/436407559.db2.gz ZIICUIMNKGEDRX-UHFFFAOYSA-N 1 1 326.360 0.800 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000044937414 436354462 /nfs/dbraw/zinc/35/44/62/436354462.db2.gz RCBDHBDKKSKOEO-ZDUSSCGKSA-N 1 1 328.438 0.296 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000044937414 436354464 /nfs/dbraw/zinc/35/44/64/436354464.db2.gz RCBDHBDKKSKOEO-ZDUSSCGKSA-N 1 1 328.438 0.296 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000048427461 436452514 /nfs/dbraw/zinc/45/25/14/436452514.db2.gz UKGOIQUNGVYDFS-UHFFFAOYSA-N 1 1 338.433 0.143 50 0 ECAAMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089499572 436411746 /nfs/dbraw/zinc/41/17/46/436411746.db2.gz PMKOZRAFMIOBOH-GFCCVEGCSA-N 1 1 341.415 0.845 50 0 ECAAMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089499572 436411750 /nfs/dbraw/zinc/41/17/50/436411750.db2.gz PMKOZRAFMIOBOH-GFCCVEGCSA-N 1 1 341.415 0.845 50 0 ECAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834794 436416693 /nfs/dbraw/zinc/41/66/93/436416693.db2.gz XDJZNWRCXVDQJU-WBVHZDCISA-N 1 1 343.427 0.767 50 0 ECAAMO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CCn3cncn3)C2)C1=O ZINC000089869773 436419331 /nfs/dbraw/zinc/41/93/31/436419331.db2.gz KHEQAJPLNSITKZ-XJKSGUPXSA-N 1 1 334.424 0.709 50 0 ECAAMO CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000089893601 436419936 /nfs/dbraw/zinc/41/99/36/436419936.db2.gz FVAFXBVYUWHSHW-CQSZACIVSA-N 1 1 347.423 0.908 50 0 ECAAMO COCCOc1ccc(CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000089939075 436422369 /nfs/dbraw/zinc/42/23/69/436422369.db2.gz OIUVUVMFAAUPTN-HNNXBMFYSA-N 1 1 335.448 0.964 50 0 ECAAMO c1cn(CCC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)nn1 ZINC000096132786 436515171 /nfs/dbraw/zinc/51/51/71/436515171.db2.gz YKSQBNSYYYZNGS-UHFFFAOYSA-N 1 1 327.396 0.593 50 0 ECAAMO Cn1cc(NC(=O)NCC2CCN(CC[NH+](C)C)CC2)ccc1=O ZINC000095955746 436502025 /nfs/dbraw/zinc/50/20/25/436502025.db2.gz SCAYGMJPHDVKPM-UHFFFAOYSA-N 1 1 335.452 0.780 50 0 ECAAMO C[C@H](Cc1ccnn1C)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000096009212 436503893 /nfs/dbraw/zinc/50/38/93/436503893.db2.gz NFKHRZVLNRDQMO-CYBMUJFWSA-N 1 1 333.436 0.022 50 0 ECAAMO OCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000097199663 436540242 /nfs/dbraw/zinc/54/02/42/436540242.db2.gz IUANQQMDTGNLJD-UHFFFAOYSA-N 1 1 339.403 0.536 50 0 ECAAMO CC(C)Cn1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000097237625 436541514 /nfs/dbraw/zinc/54/15/14/436541514.db2.gz QTQBTIVEVLSQDA-MRXNPFEDSA-N 1 1 347.463 0.918 50 0 ECAAMO O=C(c1ccon1)N1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H](O)C1 ZINC000097642188 436545031 /nfs/dbraw/zinc/54/50/31/436545031.db2.gz MHHYHAYOQSUFHT-JTQLQIEISA-N 1 1 328.332 0.269 50 0 ECAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CCOC)CC1 ZINC000058306970 436624330 /nfs/dbraw/zinc/62/43/30/436624330.db2.gz UWKAIXVKUOPBCI-HNNXBMFYSA-N 1 1 334.420 0.447 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cn1 ZINC000057128771 436604847 /nfs/dbraw/zinc/60/48/47/436604847.db2.gz FVVDWXFMNIWXFV-UHFFFAOYSA-N 1 1 342.403 0.983 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000058134605 436620690 /nfs/dbraw/zinc/62/06/90/436620690.db2.gz VMFRGBXHZKSSKO-UHFFFAOYSA-N 1 1 338.433 0.788 50 0 ECAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000215671334 436696265 /nfs/dbraw/zinc/69/62/65/436696265.db2.gz CGQUTNWSUNHLER-LLVKDONJSA-N 1 1 346.353 0.919 50 0 ECAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000215671334 436696269 /nfs/dbraw/zinc/69/62/69/436696269.db2.gz CGQUTNWSUNHLER-LLVKDONJSA-N 1 1 346.353 0.919 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000221449942 436700635 /nfs/dbraw/zinc/70/06/35/436700635.db2.gz KBDFVXMBXPOOSD-UHFFFAOYSA-N 1 1 339.403 0.837 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ncnc2nc[nH]c21 ZINC000222127793 436702297 /nfs/dbraw/zinc/70/22/97/436702297.db2.gz KARBFBSXMDYEGW-NEPJUHHUSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ncnc2[nH]cnc21 ZINC000222127793 436702302 /nfs/dbraw/zinc/70/23/02/436702302.db2.gz KARBFBSXMDYEGW-NEPJUHHUSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ncnc2[nH]cnc21 ZINC000222127793 436702305 /nfs/dbraw/zinc/70/23/05/436702305.db2.gz KARBFBSXMDYEGW-NEPJUHHUSA-N 1 1 329.408 0.532 50 0 ECAAMO Cn1nnnc1SCCNC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000223127809 436704634 /nfs/dbraw/zinc/70/46/34/436704634.db2.gz NWCAWZDSIXWPRY-UHFFFAOYSA-N 1 1 338.412 0.690 50 0 ECAAMO Cn1nnnc1SCCNC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000223127809 436704638 /nfs/dbraw/zinc/70/46/38/436704638.db2.gz NWCAWZDSIXWPRY-UHFFFAOYSA-N 1 1 338.412 0.690 50 0 ECAAMO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@@H]2CO)CCCN1Cc1ccc(F)cc1F ZINC000225548890 436712177 /nfs/dbraw/zinc/71/21/77/436712177.db2.gz YSWNJXUVGRFLFN-IJEWVQPXSA-N 1 1 340.370 0.883 50 0 ECAAMO CN(CCCn1cccn1)c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000065459953 436663791 /nfs/dbraw/zinc/66/37/91/436663791.db2.gz CFLHRNSOZVXUMC-UHFFFAOYSA-N 1 1 330.440 0.534 50 0 ECAAMO Cc1ccc(N2CCC[C@H]([N@@H+](C)C[C@@H](O)CN3CCOCC3)C2)nn1 ZINC000229554037 436714511 /nfs/dbraw/zinc/71/45/11/436714511.db2.gz WJDDNEJDVSANSA-DLBZAZTESA-N 1 1 349.479 0.379 50 0 ECAAMO CSC1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000195132586 436679351 /nfs/dbraw/zinc/67/93/51/436679351.db2.gz CZXIQQRCQBTFKS-CYBMUJFWSA-N 1 1 340.493 0.830 50 0 ECAAMO CC1(C)CNC(=O)c2[nH]c(CC[N@H+]3CCC[C@@H](C(N)=O)C3)nc2C1 ZINC000067955238 436728845 /nfs/dbraw/zinc/72/88/45/436728845.db2.gz WVZXCSBGGZLBAB-LLVKDONJSA-N 1 1 333.436 0.462 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCC(N)=O)CC1 ZINC000069416968 436772686 /nfs/dbraw/zinc/77/26/86/436772686.db2.gz ONXNZENJTHEQCW-CYBMUJFWSA-N 1 1 326.441 0.537 50 0 ECAAMO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000069445277 436773900 /nfs/dbraw/zinc/77/39/00/436773900.db2.gz PUZOTHFONLPDTE-HRCADAONSA-N 1 1 325.409 0.140 50 0 ECAAMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000069445277 436773904 /nfs/dbraw/zinc/77/39/04/436773904.db2.gz PUZOTHFONLPDTE-HRCADAONSA-N 1 1 325.409 0.140 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000069511790 436777621 /nfs/dbraw/zinc/77/76/21/436777621.db2.gz DIJRTZYUKXEPQF-LSDHHAIUSA-N 1 1 348.451 0.144 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000069511790 436777624 /nfs/dbraw/zinc/77/76/24/436777624.db2.gz DIJRTZYUKXEPQF-LSDHHAIUSA-N 1 1 348.451 0.144 50 0 ECAAMO NC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000246833874 436785504 /nfs/dbraw/zinc/78/55/04/436785504.db2.gz RRZNNVPCPKKDKU-HOCLYGCPSA-N 1 1 349.406 0.750 50 0 ECAAMO CO[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000252539698 436837689 /nfs/dbraw/zinc/83/76/89/436837689.db2.gz OJXOKTFSHKWKJP-RBSFLKMASA-N 1 1 340.468 0.783 50 0 ECAAMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253416687 436843706 /nfs/dbraw/zinc/84/37/06/436843706.db2.gz XRLNGKFTMREQCN-DOTOQJQBSA-N 1 1 328.416 0.951 50 0 ECAAMO Cc1ccc(C)c(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)c1 ZINC000257175615 436857154 /nfs/dbraw/zinc/85/71/54/436857154.db2.gz PYWPTFYJWGBOAL-WBVHZDCISA-N 1 1 345.443 0.829 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000252504996 436835902 /nfs/dbraw/zinc/83/59/02/436835902.db2.gz HPGWGIGEDIPEDL-GJZGRUSLSA-N 1 1 337.468 0.431 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC1 ZINC000257366229 436877774 /nfs/dbraw/zinc/87/77/74/436877774.db2.gz OOWXGPIVLZEOON-RHSMWYFYSA-N 1 1 336.480 0.339 50 0 ECAAMO CNC(=O)[C@H]1C[N@@H+](Cc2cnccc2OC)C[C@@H]1c1cnn(C)c1 ZINC000286712731 437121899 /nfs/dbraw/zinc/12/18/99/437121899.db2.gz BWIYPOUCVJNHIV-CABCVRRESA-N 1 1 329.404 0.785 50 0 ECAAMO Cn1cncc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000290361236 437479620 /nfs/dbraw/zinc/47/96/20/437479620.db2.gz MTFYPJCVLQYMGK-UHFFFAOYSA-N 1 1 341.415 0.989 50 0 ECAAMO O=C(NCCCO)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426486476 438060105 /nfs/dbraw/zinc/06/01/05/438060105.db2.gz UXPYQKYIHFFQSV-RMXPPQQLSA-N 1 1 344.459 0.236 50 0 ECAAMO C[C@@H](C(=O)NCc1csc(-c2cnccn2)n1)N1CC[NH+](C)CC1 ZINC000426509365 438061808 /nfs/dbraw/zinc/06/18/08/438061808.db2.gz KVIWNWIGVZITRQ-LBPRGKRZSA-N 1 1 346.460 0.852 50 0 ECAAMO OC1CN(c2nc(NCC3CCOCC3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426661406 438070971 /nfs/dbraw/zinc/07/09/71/438070971.db2.gz WZLXXLYJEUGLLB-CYBMUJFWSA-N 1 1 334.420 1.000 50 0 ECAAMO CCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CC[NH+](C)CC1 ZINC000534575210 439529721 /nfs/dbraw/zinc/52/97/21/439529721.db2.gz FNGDDQXXXCUZBK-HOTGVXAUSA-N 1 1 333.436 0.174 50 0 ECAAMO COc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)c1C ZINC000534643587 439532306 /nfs/dbraw/zinc/53/23/06/439532306.db2.gz OKGBKPZYPOSQQR-HOTGVXAUSA-N 1 1 333.432 0.748 50 0 ECAAMO C[N@H+]1CCN(c2cc(N)ncn2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230175659 536419456 /nfs/dbraw/zinc/41/94/56/536419456.db2.gz XXSCRKKBLRYCCR-GOSISDBHSA-N 1 1 344.463 0.972 50 0 ECAAMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC(N)=O ZINC000229713639 536521122 /nfs/dbraw/zinc/52/11/22/536521122.db2.gz OCZZMJNLMCWUHN-KBPBESRZSA-N 1 1 347.415 0.916 50 0 ECAAMO Cc1nnc2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cn12 ZINC000084297020 545709200 /nfs/dbraw/zinc/70/92/00/545709200.db2.gz DDVUVUFYUFYPGA-HUUCEWRRSA-N 1 1 329.404 0.709 50 0 ECAAMO CCCn1nc(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)ccc1=O ZINC000084759112 545712868 /nfs/dbraw/zinc/71/28/68/545712868.db2.gz VJOBYLYOOBLTAT-AWEZNQCLSA-N 1 1 336.436 0.836 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735915 545713086 /nfs/dbraw/zinc/71/30/86/545713086.db2.gz YWFVYLIBOSNBBA-CABCVRRESA-N 1 1 334.420 0.121 50 0 ECAAMO Cc1ccc[nH+]c1NCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000222947890 545924328 /nfs/dbraw/zinc/92/43/28/545924328.db2.gz VUZDBYPXLCPYQI-LBPRGKRZSA-N 1 1 326.422 0.342 50 0 ECAAMO Nc1ncc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(C(F)(F)F)n1 ZINC000244734654 545935674 /nfs/dbraw/zinc/93/56/74/545935674.db2.gz NJPFGPNBIGKKDQ-SECBINFHSA-N 1 1 347.341 0.654 50 0 ECAAMO COCCn1ccnc1C[N@@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000670455276 548016054 /nfs/dbraw/zinc/01/60/54/548016054.db2.gz XPKKMUZLEVADGJ-CYBMUJFWSA-N 1 1 334.424 0.530 50 0 ECAAMO COCCn1ccnc1C[N@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000670455276 548016056 /nfs/dbraw/zinc/01/60/56/548016056.db2.gz XPKKMUZLEVADGJ-CYBMUJFWSA-N 1 1 334.424 0.530 50 0 ECAAMO O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000888096962 586350127 /nfs/dbraw/zinc/35/01/27/586350127.db2.gz XNBJXOZOESHUKT-HZPDHXFCSA-N 1 1 331.416 0.533 50 0 ECAAMO Cc1cnc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CN(C)C)cn1 ZINC000169790909 609747034 /nfs/dbraw/zinc/74/70/34/609747034.db2.gz IROJSBWKIDCGOI-RHSMWYFYSA-N 1 1 347.463 0.556 50 0 ECAAMO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN(C)C)cn1 ZINC000169790909 609747036 /nfs/dbraw/zinc/74/70/36/609747036.db2.gz IROJSBWKIDCGOI-RHSMWYFYSA-N 1 1 347.463 0.556 50 0 ECAAMO O=C1CCCN1C1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000071419175 610527572 /nfs/dbraw/zinc/52/75/72/610527572.db2.gz BGCOJFMYCDKMDK-UHFFFAOYSA-N 1 1 345.447 0.900 50 0 ECAAMO COCC1CCN(S(=O)(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)CC1 ZINC000952970403 612138935 /nfs/dbraw/zinc/13/89/35/612138935.db2.gz RRUDWFOICNRHQM-OAHLLOKOSA-N 1 1 333.498 0.863 50 0 ECAAMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1C(=O)N(C)C ZINC000952971560 612139438 /nfs/dbraw/zinc/13/94/38/612139438.db2.gz SPOPYXFMJYZRGY-CYBMUJFWSA-N 1 1 348.447 0.971 50 0 ECAAMO CN(C)c1cc[nH+]c(N2CCC[C@@H](CNC(=O)c3cncn3C)C2)n1 ZINC000952983402 612139660 /nfs/dbraw/zinc/13/96/60/612139660.db2.gz DKDXHNBUNSPTKV-ZDUSSCGKSA-N 1 1 343.435 0.923 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)C1 ZINC000952984239 612140293 /nfs/dbraw/zinc/14/02/93/612140293.db2.gz ZCOORHATSFHGIV-STQMWFEESA-N 1 1 347.419 0.086 50 0 ECAAMO Cc1nccn1CCNC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000426521577 753152203 /nfs/dbraw/zinc/15/22/03/753152203.db2.gz YGTOBJVVDWKNEY-MRXNPFEDSA-N 1 1 335.452 0.680 50 0 ECAAMO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000053639761 214191397 /nfs/dbraw/zinc/19/13/97/214191397.db2.gz XHNRZHKDCHEDAY-SMDDNHRTSA-N 1 1 349.435 0.670 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H](SC(=N)NC(N)=[NH2+])C2=O)cc1 ZINC000004523520 210213415 /nfs/dbraw/zinc/21/34/15/210213415.db2.gz XHFLBGTZJJVJIW-JTQLQIEISA-N 1 1 335.389 0.868 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3nccs3)CC2)C[C@H](C)O1 ZINC000066482612 215046215 /nfs/dbraw/zinc/04/62/15/215046215.db2.gz XXOGFBYQIGCBOP-QLFBSQMISA-N 1 1 340.493 0.735 50 0 ECAAMO C[N@@H+]1CCO[C@@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC000067643500 215171644 /nfs/dbraw/zinc/17/16/44/215171644.db2.gz JXCUVRKPBWRCNL-AWEZNQCLSA-N 1 1 327.388 0.989 50 0 ECAAMO C[N@H+]1CCO[C@@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC000067643500 215171646 /nfs/dbraw/zinc/17/16/46/215171646.db2.gz JXCUVRKPBWRCNL-AWEZNQCLSA-N 1 1 327.388 0.989 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CCC([C@@]2(CC)NC(=O)NC2=O)CC1 ZINC000067654285 215175349 /nfs/dbraw/zinc/17/53/49/215175349.db2.gz HFLWFAWNNHAPCX-QGZVFWFLSA-N 1 1 347.419 0.672 50 0 ECAAMO C[C@@H]1C[NH+](CC2CCN(CC(=O)N3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000069017219 215352187 /nfs/dbraw/zinc/35/21/87/215352187.db2.gz XUIJTJGLSKCONL-ZIAGYGMSSA-N 1 1 338.452 0.359 50 0 ECAAMO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2OCCO3)C1 ZINC000069275499 215374495 /nfs/dbraw/zinc/37/44/95/215374495.db2.gz ZIGZVIVQUXXXNR-LBPRGKRZSA-N 1 1 333.388 0.995 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000069347722 215381619 /nfs/dbraw/zinc/38/16/19/215381619.db2.gz RSOMTNZFRMKVHW-INIZCTEOSA-N 1 1 347.463 0.882 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000091321599 283288946 /nfs/dbraw/zinc/28/89/46/283288946.db2.gz IJYQDNINXDPGGK-AWEZNQCLSA-N 1 1 347.415 0.661 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000036078788 213060701 /nfs/dbraw/zinc/06/07/01/213060701.db2.gz GEUXRDGQSMIHAR-ZDUSSCGKSA-N 1 1 343.449 0.670 50 0 ECAAMO O=C(c1cnccn1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072117656 216012190 /nfs/dbraw/zinc/01/21/90/216012190.db2.gz HNTMFNRLLQAVNN-UHFFFAOYSA-N 1 1 339.403 0.829 50 0 ECAAMO Cc1nc(N(C)C)ncc1C(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072144723 216031175 /nfs/dbraw/zinc/03/11/75/216031175.db2.gz LTRKAVJSJUVPDQ-OAHLLOKOSA-N 1 1 347.463 0.912 50 0 ECAAMO O=C(CCOc1ccccc1)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072162185 216050835 /nfs/dbraw/zinc/05/08/35/216050835.db2.gz BLJPROHMCLPTEP-INIZCTEOSA-N 1 1 331.416 0.878 50 0 ECAAMO CN(C)c1cccc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)c1 ZINC000072158002 216048599 /nfs/dbraw/zinc/04/85/99/216048599.db2.gz CIZYEZKHNCLWMQ-INIZCTEOSA-N 1 1 346.431 0.025 50 0 ECAAMO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CCN1C(=O)C1CCOCC1 ZINC000072169466 216060264 /nfs/dbraw/zinc/06/02/64/216060264.db2.gz ZPGMPGMAWSADKI-OAHLLOKOSA-N 1 1 335.379 0.991 50 0 ECAAMO COc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1F ZINC000072271297 216094479 /nfs/dbraw/zinc/09/44/79/216094479.db2.gz NUPFUCPFNGWLTC-GFCCVEGCSA-N 1 1 331.413 0.839 50 0 ECAAMO COc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1F ZINC000072271297 216094484 /nfs/dbraw/zinc/09/44/84/216094484.db2.gz NUPFUCPFNGWLTC-GFCCVEGCSA-N 1 1 331.413 0.839 50 0 ECAAMO CCOCc1nc2c(c(N3CC[C@@H](NC(C)=O)C3)n1)CC[N@@H+](C)CC2 ZINC000072432408 216226556 /nfs/dbraw/zinc/22/65/56/216226556.db2.gz KRJAOTMPBCMLCV-CQSZACIVSA-N 1 1 347.463 0.758 50 0 ECAAMO NC(=O)c1noc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072432584 216226861 /nfs/dbraw/zinc/22/68/61/216226861.db2.gz DVPGCZGNDVJPPY-AWEZNQCLSA-N 1 1 345.403 0.237 50 0 ECAAMO NC(=O)c1noc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072432584 216226863 /nfs/dbraw/zinc/22/68/63/216226863.db2.gz DVPGCZGNDVJPPY-AWEZNQCLSA-N 1 1 345.403 0.237 50 0 ECAAMO O=C([C@H]1CCCO1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437305 216231909 /nfs/dbraw/zinc/23/19/09/216231909.db2.gz MDRHYGJKJNKWMR-CQSZACIVSA-N 1 1 331.420 0.904 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1N1CCN(c2cnccn2)CC1 ZINC000072438363 216232863 /nfs/dbraw/zinc/23/28/63/216232863.db2.gz BVBXIPGNKBUVQO-HOTGVXAUSA-N 1 1 345.472 0.905 50 0 ECAAMO O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000072473699 216249862 /nfs/dbraw/zinc/24/98/62/216249862.db2.gz DFSQCKSBMYLLSO-UHFFFAOYSA-N 1 1 334.401 0.473 50 0 ECAAMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072481517 216261687 /nfs/dbraw/zinc/26/16/87/216261687.db2.gz PKNBAHYGHYBYHE-MRXNPFEDSA-N 1 1 328.416 0.370 50 0 ECAAMO Cc1c(C[N@H+]2CCC[C@](O)(CO)C2)c(=O)n(-c2ccccc2)n1C ZINC000072481103 216261865 /nfs/dbraw/zinc/26/18/65/216261865.db2.gz DGNXMTFXHFDZOE-GOSISDBHSA-N 1 1 331.416 0.804 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCc1ccc(Cl)cc1 ZINC000022943503 212337665 /nfs/dbraw/zinc/33/76/65/212337665.db2.gz QRNWONRHSCJUSJ-UHFFFAOYSA-N 1 1 325.840 0.609 50 0 ECAAMO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229749431 242196620 /nfs/dbraw/zinc/19/66/20/242196620.db2.gz XDLNVOWWPGJHNS-WCQYABFASA-N 1 1 335.404 0.516 50 0 ECAAMO CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229805724 242200328 /nfs/dbraw/zinc/20/03/28/242200328.db2.gz MHRIKOLLEVOBII-KGLIPLIRSA-N 1 1 344.481 0.336 50 0 ECAAMO Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1C ZINC000019727870 212058030 /nfs/dbraw/zinc/05/80/30/212058030.db2.gz PBDPKXZIMMQJDC-HNNXBMFYSA-N 1 1 343.431 0.734 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000078486243 217060713 /nfs/dbraw/zinc/06/07/13/217060713.db2.gz RCBIPTGESVHUHD-GFCCVEGCSA-N 1 1 331.424 0.466 50 0 ECAAMO C[N@@H+](Cc1cnc(N)nc1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091411710 218002310 /nfs/dbraw/zinc/00/23/10/218002310.db2.gz JLWADQROOLFQNJ-UHFFFAOYSA-N 1 1 338.371 0.631 50 0 ECAAMO C[N@H+](Cc1cnc(N)nc1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091411710 218002313 /nfs/dbraw/zinc/00/23/13/218002313.db2.gz JLWADQROOLFQNJ-UHFFFAOYSA-N 1 1 338.371 0.631 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)nc1 ZINC000091445196 218006799 /nfs/dbraw/zinc/00/67/99/218006799.db2.gz ZRAAFGXOSFUWOB-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)nc1 ZINC000091445196 218006801 /nfs/dbraw/zinc/00/68/01/218006801.db2.gz ZRAAFGXOSFUWOB-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)nc1 ZINC000091445196 218006803 /nfs/dbraw/zinc/00/68/03/218006803.db2.gz ZRAAFGXOSFUWOB-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO O=C(Cn1cccnc1=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091624659 218033040 /nfs/dbraw/zinc/03/30/40/218033040.db2.gz YVBANFHZONYOEB-CVEARBPZSA-N 1 1 346.431 0.249 50 0 ECAAMO CCCc1ncncc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091645007 218038890 /nfs/dbraw/zinc/03/88/90/218038890.db2.gz KGBXMGZMVDWJAN-GOSISDBHSA-N 1 1 345.447 0.856 50 0 ECAAMO Cc1cc(F)ccc1CC(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091736822 218056112 /nfs/dbraw/zinc/05/61/12/218056112.db2.gz SPASILORDGOSOG-HZPDHXFCSA-N 1 1 338.423 0.668 50 0 ECAAMO CCOCCC(=O)N[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(C)n2)C[C@@H]1C1CC1 ZINC000091847996 218076304 /nfs/dbraw/zinc/07/63/04/218076304.db2.gz MXQWUDDPQMIEFR-CVEARBPZSA-N 1 1 348.447 0.832 50 0 ECAAMO CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cn1cc[nH+]c1CC ZINC000092028328 218106241 /nfs/dbraw/zinc/10/62/41/218106241.db2.gz SUPIJCMVIDAWKN-STQMWFEESA-N 1 1 342.465 0.622 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000092028953 218106909 /nfs/dbraw/zinc/10/69/09/218106909.db2.gz GGCYWRMEQHFVBQ-ZDUSSCGKSA-N 1 1 347.415 0.482 50 0 ECAAMO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000092078800 218117390 /nfs/dbraw/zinc/11/73/90/218117390.db2.gz YSPXZBVOULIUBN-HNNXBMFYSA-N 1 1 330.432 0.643 50 0 ECAAMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000092813342 218169659 /nfs/dbraw/zinc/16/96/59/218169659.db2.gz LMVWQBLJIRSSOT-CQSZACIVSA-N 1 1 343.431 0.721 50 0 ECAAMO COCC(=O)N1CCCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000095365946 218299000 /nfs/dbraw/zinc/29/90/00/218299000.db2.gz BCEZMYRJEZPIOK-KRWDZBQOSA-N 1 1 345.443 0.750 50 0 ECAAMO COCC(=O)N1CCCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000095365946 218299003 /nfs/dbraw/zinc/29/90/03/218299003.db2.gz BCEZMYRJEZPIOK-KRWDZBQOSA-N 1 1 345.443 0.750 50 0 ECAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000095371086 218303615 /nfs/dbraw/zinc/30/36/15/218303615.db2.gz LDMUSHUWUABTGV-GOSISDBHSA-N 1 1 349.431 0.857 50 0 ECAAMO Cn1ncc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1C(F)(F)F ZINC000095442035 218386440 /nfs/dbraw/zinc/38/64/40/218386440.db2.gz QWJSKYNICOJPET-UHFFFAOYSA-N 1 1 345.325 0.955 50 0 ECAAMO C[C@@H](CCNC(=O)c1cnc(C2CC2)[nH]c1=O)N1CC[NH+](C)CC1 ZINC000097334282 219012834 /nfs/dbraw/zinc/01/28/34/219012834.db2.gz JLDXISVTAWULFD-LBPRGKRZSA-N 1 1 333.436 0.403 50 0 ECAAMO CC[N@H+]1CCN2c3ccc(N)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245328141 258000276 /nfs/dbraw/zinc/00/02/76/258000276.db2.gz SDBQGOIYIMOMTJ-CYBMUJFWSA-N 1 1 343.387 0.733 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299801703 258104989 /nfs/dbraw/zinc/10/49/89/258104989.db2.gz XGIIPIXEDAZNMJ-KRXQYRFLSA-N 1 1 349.431 0.460 50 0 ECAAMO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](CCn1cnnc1)C2 ZINC000096164963 258067798 /nfs/dbraw/zinc/06/77/98/258067798.db2.gz PVADUKISYNEXJS-YOEHRIQHSA-N 1 1 333.436 0.929 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCn3cnnc3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096164963 258067799 /nfs/dbraw/zinc/06/77/99/258067799.db2.gz PVADUKISYNEXJS-YOEHRIQHSA-N 1 1 333.436 0.929 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCn3cnnc3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096164963 258067800 /nfs/dbraw/zinc/06/78/00/258067800.db2.gz PVADUKISYNEXJS-YOEHRIQHSA-N 1 1 333.436 0.929 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@H]1C ZINC000095401939 287088904 /nfs/dbraw/zinc/08/89/04/287088904.db2.gz VYAMHVPBYPXKQZ-ZIAGYGMSSA-N 1 1 347.415 0.326 50 0 ECAAMO CC1(C)CN(C2(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CCCCC2)CCO1 ZINC000262361547 165336846 /nfs/dbraw/zinc/33/68/46/165336846.db2.gz ISXZYAOPMNEHMY-HUUCEWRRSA-N 1 1 339.480 0.639 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000286091942 264369496 /nfs/dbraw/zinc/36/94/96/264369496.db2.gz HWDVFFXDLQVUCW-SRABZTEZSA-N 1 1 345.443 0.856 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)NC2CCOCC2)CC1 ZINC000069820311 278395022 /nfs/dbraw/zinc/39/50/22/278395022.db2.gz MIILLBTYVNQRNY-CQSZACIVSA-N 1 1 327.469 0.306 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000071877365 290111864 /nfs/dbraw/zinc/11/18/64/290111864.db2.gz VOCFFWCNNZMYKO-HRCADAONSA-N 1 1 325.453 0.155 50 0 ECAAMO O[C@H](Cn1cccn1)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069776640 435965447 /nfs/dbraw/zinc/96/54/47/435965447.db2.gz PFYGFCMSKQYITI-ZWKOTPCHSA-N 1 1 330.432 0.595 50 0 ECAAMO O=C(CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)NCC1CC1 ZINC000069770719 435966035 /nfs/dbraw/zinc/96/60/35/435966035.db2.gz BKRRTBRHMVNDSX-QGZVFWFLSA-N 1 1 347.459 0.570 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000002944221 435970936 /nfs/dbraw/zinc/97/09/36/435970936.db2.gz IESBITZIEDMCJD-LSDHHAIUSA-N 1 1 345.509 0.896 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cn1 ZINC000069879482 435974239 /nfs/dbraw/zinc/97/42/39/435974239.db2.gz NMPOWUWQMGENBH-CQSZACIVSA-N 1 1 331.424 0.790 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cn1 ZINC000069879482 435974245 /nfs/dbraw/zinc/97/42/45/435974245.db2.gz NMPOWUWQMGENBH-CQSZACIVSA-N 1 1 331.424 0.790 50 0 ECAAMO C[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC000069921428 435976795 /nfs/dbraw/zinc/97/67/95/435976795.db2.gz VNCXFUTUQUVIPB-CYBMUJFWSA-N 1 1 336.411 0.764 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)cc1C ZINC000069922215 435976868 /nfs/dbraw/zinc/97/68/68/435976868.db2.gz RKYKBIAMRARZBR-UHFFFAOYSA-N 1 1 348.447 0.696 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000069920792 435977020 /nfs/dbraw/zinc/97/70/20/435977020.db2.gz LOHPZWHGHOHXSR-SNVBAGLBSA-N 1 1 334.342 0.968 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3nccs3)C2)CC1 ZINC000069980891 435981125 /nfs/dbraw/zinc/98/11/25/435981125.db2.gz MUUCBFMSSJTFIB-KGLIPLIRSA-N 1 1 338.477 0.885 50 0 ECAAMO O=S(=O)(NCc1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000071681647 436005877 /nfs/dbraw/zinc/00/58/77/436005877.db2.gz NYNQSLVUXVEPIR-INIZCTEOSA-N 1 1 339.461 0.818 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000071881778 436024026 /nfs/dbraw/zinc/02/40/26/436024026.db2.gz GWRPIIGGCPQNPT-GFCCVEGCSA-N 1 1 333.388 0.546 50 0 ECAAMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000071897056 436027940 /nfs/dbraw/zinc/02/79/40/436027940.db2.gz AAVIXPQCJBCDSB-OLZOCXBDSA-N 1 1 339.436 0.374 50 0 ECAAMO CN(C)c1ccccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000071922283 436031003 /nfs/dbraw/zinc/03/10/03/436031003.db2.gz LXARBOYFQIVWRO-OAHLLOKOSA-N 1 1 349.479 0.825 50 0 ECAAMO C[NH+]1CCN(c2ncc3c(ccn(C[C@H]4CCCO4)c3=O)n2)CC1 ZINC000009290401 436035944 /nfs/dbraw/zinc/03/59/44/436035944.db2.gz VRLKEACNNHZYTN-CYBMUJFWSA-N 1 1 329.404 0.722 50 0 ECAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010386946 436039240 /nfs/dbraw/zinc/03/92/40/436039240.db2.gz MBJIZFFHEMNVNY-LLVKDONJSA-N 1 1 348.407 0.710 50 0 ECAAMO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269909 436039712 /nfs/dbraw/zinc/03/97/12/436039712.db2.gz PQNFLVUTJKAWKY-CVEARBPZSA-N 1 1 345.447 0.748 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000072300003 436043760 /nfs/dbraw/zinc/04/37/60/436043760.db2.gz BWYWMABDRNCMHX-GFCCVEGCSA-N 1 1 343.453 0.002 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000072300003 436043763 /nfs/dbraw/zinc/04/37/63/436043763.db2.gz BWYWMABDRNCMHX-GFCCVEGCSA-N 1 1 343.453 0.002 50 0 ECAAMO Cc1ccc(C)c(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000019811671 436107152 /nfs/dbraw/zinc/10/71/52/436107152.db2.gz QWCPFGNDBZCDIB-UHFFFAOYSA-N 1 1 339.461 0.843 50 0 ECAAMO CC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000012865848 436056347 /nfs/dbraw/zinc/05/63/47/436056347.db2.gz SIBXZZCZQUCONU-UHFFFAOYSA-N 1 1 325.434 0.519 50 0 ECAAMO Cc1ccc(NC(=O)C[C@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1 ZINC000013690233 436063873 /nfs/dbraw/zinc/06/38/73/436063873.db2.gz KJFZCYJSYDSAJU-CQSZACIVSA-N 1 1 329.404 0.425 50 0 ECAAMO C[NH+]1CCN(C(=O)CCc2nnc3ccc(N4CCCC4)nn32)CC1 ZINC000015678706 436083976 /nfs/dbraw/zinc/08/39/76/436083976.db2.gz GYTRHGBUFNJVOC-UHFFFAOYSA-N 1 1 343.435 0.431 50 0 ECAAMO CCC(CC)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 ZINC000022899076 436120561 /nfs/dbraw/zinc/12/05/61/436120561.db2.gz HKJTYBXJVRZYJI-HNNXBMFYSA-N 1 1 338.452 0.848 50 0 ECAAMO Cc1c[nH]c(=O)n1-c1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000075602980 436166941 /nfs/dbraw/zinc/16/69/41/436166941.db2.gz YYKVTUJKYHEVNK-CQSZACIVSA-N 1 1 344.415 0.613 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC000076055475 436187813 /nfs/dbraw/zinc/18/78/13/436187813.db2.gz UKSPMGKXWYZPEY-KBXCAEBGSA-N 1 1 333.480 0.984 50 0 ECAAMO O[C@@]1(C[NH2+]CCc2nc(Cc3ccccc3)no2)CNCCOC1 ZINC000077323094 436234240 /nfs/dbraw/zinc/23/42/40/436234240.db2.gz JBLADPQITNWKPB-KRWDZBQOSA-N 1 1 332.404 0.143 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754434 436243513 /nfs/dbraw/zinc/24/35/13/436243513.db2.gz SRBAWYOYIOHEKP-NSHDSACASA-N 1 1 341.433 0.929 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754434 436243517 /nfs/dbraw/zinc/24/35/17/436243517.db2.gz SRBAWYOYIOHEKP-NSHDSACASA-N 1 1 341.433 0.929 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]2C)CC1 ZINC000076056653 436189568 /nfs/dbraw/zinc/18/95/68/436189568.db2.gz KPTKNUKZUFJFQM-KDOFPFPSSA-N 1 1 344.459 0.770 50 0 ECAAMO CN(Cc1ccc(C[N@@H+]2CCOC[C@H](CO)C2)o1)S(C)(=O)=O ZINC000077286399 436230576 /nfs/dbraw/zinc/23/05/76/436230576.db2.gz NQUKEEQUJQAAEK-LBPRGKRZSA-N 1 1 332.422 0.112 50 0 ECAAMO CN(Cc1ccc(C[N@H+]2CCOC[C@H](CO)C2)o1)S(C)(=O)=O ZINC000077286399 436230578 /nfs/dbraw/zinc/23/05/78/436230578.db2.gz NQUKEEQUJQAAEK-LBPRGKRZSA-N 1 1 332.422 0.112 50 0 ECAAMO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@@H]3C)cc21 ZINC000078898937 436283134 /nfs/dbraw/zinc/28/31/34/436283134.db2.gz QTWYQWADRQKESP-NHYWBVRUSA-N 1 1 337.445 0.824 50 0 ECAAMO O=C(NCCc1ccccn1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042963117 436323539 /nfs/dbraw/zinc/32/35/39/436323539.db2.gz ATJVOLMPWNGJOW-NVXWUHKLSA-N 1 1 348.447 0.661 50 0 ECAAMO COc1ccccc1[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH+](C)C ZINC000044916990 436353390 /nfs/dbraw/zinc/35/33/90/436353390.db2.gz DOETVONPVLAKGR-CYBMUJFWSA-N 1 1 343.449 0.306 50 0 ECAAMO O=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)[C@@H]1C[NH2+]CCO1 ZINC000082166192 436363917 /nfs/dbraw/zinc/36/39/17/436363917.db2.gz DRGDBOKXEJVVJD-KRWDZBQOSA-N 1 1 347.463 0.636 50 0 ECAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](CO)C2)CC1 ZINC000084789327 436386411 /nfs/dbraw/zinc/38/64/11/436386411.db2.gz OPSLFGCYYMRXJP-HOTGVXAUSA-N 1 1 326.485 0.674 50 0 ECAAMO CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000046878782 436404265 /nfs/dbraw/zinc/40/42/65/436404265.db2.gz XMEADGOYKHRSBR-AWEZNQCLSA-N 1 1 345.509 0.896 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000044969473 436357190 /nfs/dbraw/zinc/35/71/90/436357190.db2.gz BUPVBUJXBYQOTH-AWEZNQCLSA-N 1 1 346.497 0.395 50 0 ECAAMO CCc1ncc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)cn1 ZINC000091320506 436449333 /nfs/dbraw/zinc/44/93/33/436449333.db2.gz OPIQLTVESROSEN-HZPDHXFCSA-N 1 1 349.479 0.213 50 0 ECAAMO CCc1ncc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cn1 ZINC000091320506 436449337 /nfs/dbraw/zinc/44/93/37/436449337.db2.gz OPIQLTVESROSEN-HZPDHXFCSA-N 1 1 349.479 0.213 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000089718309 436416007 /nfs/dbraw/zinc/41/60/07/436416007.db2.gz XGLJEXAQIIZAMX-CQSZACIVSA-N 1 1 337.424 0.716 50 0 ECAAMO Cc1[nH+]ccn1-c1cncc(NCCOCCS(C)(=O)=O)n1 ZINC000095437094 436495141 /nfs/dbraw/zinc/49/51/41/436495141.db2.gz LPHIQISFYRFQQT-UHFFFAOYSA-N 1 1 325.394 0.444 50 0 ECAAMO Cn1ncc2cnn(C[C@H](O)C[N@H+]3CCc4ccccc4C3)c2c1=O ZINC000095974791 436502283 /nfs/dbraw/zinc/50/22/83/436502283.db2.gz VDTUOHRBGQYBLK-MRXNPFEDSA-N 1 1 339.399 0.549 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096417038 436531177 /nfs/dbraw/zinc/53/11/77/436531177.db2.gz NGGUVZKSGLNVGD-LLVKDONJSA-N 1 1 346.353 0.998 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 ZINC000096436920 436531497 /nfs/dbraw/zinc/53/14/97/436531497.db2.gz YJSKIVWCJPELHU-UHFFFAOYSA-N 1 1 337.387 0.963 50 0 ECAAMO CN1CC[N@@H+](C)[C@H](CC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000097155671 436540571 /nfs/dbraw/zinc/54/05/71/436540571.db2.gz AJAZHZGXLZCRGU-QGZVFWFLSA-N 1 1 346.475 0.672 50 0 ECAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000097155671 436540572 /nfs/dbraw/zinc/54/05/72/436540572.db2.gz AJAZHZGXLZCRGU-QGZVFWFLSA-N 1 1 346.475 0.672 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000097155671 436540575 /nfs/dbraw/zinc/54/05/75/436540575.db2.gz AJAZHZGXLZCRGU-QGZVFWFLSA-N 1 1 346.475 0.672 50 0 ECAAMO O=C(C[NH+]1CCC(c2ccnn2CCO)CC1)NCc1ccco1 ZINC000058290017 436623052 /nfs/dbraw/zinc/62/30/52/436623052.db2.gz HXKKPQDMBLSYNJ-UHFFFAOYSA-N 1 1 332.404 0.964 50 0 ECAAMO Cc1ccc2nc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cc(=O)n2c1 ZINC000106867980 436603318 /nfs/dbraw/zinc/60/33/18/436603318.db2.gz IQWAJAVCFSQJSO-LSDHHAIUSA-N 1 1 330.432 0.890 50 0 ECAAMO CN(Cc1ccc(C[N@@H+]2CCOC[C@@H](CO)C2)o1)S(C)(=O)=O ZINC000107101166 436607949 /nfs/dbraw/zinc/60/79/49/436607949.db2.gz NQUKEEQUJQAAEK-GFCCVEGCSA-N 1 1 332.422 0.112 50 0 ECAAMO CN(Cc1ccc(C[N@H+]2CCOC[C@@H](CO)C2)o1)S(C)(=O)=O ZINC000107101166 436607955 /nfs/dbraw/zinc/60/79/55/436607955.db2.gz NQUKEEQUJQAAEK-GFCCVEGCSA-N 1 1 332.422 0.112 50 0 ECAAMO C[C@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000107058912 436608250 /nfs/dbraw/zinc/60/82/50/436608250.db2.gz WUYXXOGRRJOIJU-CMPLNLGQSA-N 1 1 338.433 0.105 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C2)no1 ZINC000107584011 436613294 /nfs/dbraw/zinc/61/32/94/436613294.db2.gz MZLQVHPWDDMXBG-KGLIPLIRSA-N 1 1 337.424 0.037 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C2)no1 ZINC000107584011 436613297 /nfs/dbraw/zinc/61/32/97/436613297.db2.gz MZLQVHPWDDMXBG-KGLIPLIRSA-N 1 1 337.424 0.037 50 0 ECAAMO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000058231177 436621399 /nfs/dbraw/zinc/62/13/99/436621399.db2.gz BFQFEUJVHWEMLN-UHFFFAOYSA-N 1 1 332.404 0.348 50 0 ECAAMO COc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc2c1OCCO2 ZINC000061524899 436636978 /nfs/dbraw/zinc/63/69/78/436636978.db2.gz JARUCGXYOONRPG-UHFFFAOYSA-N 1 1 349.431 0.834 50 0 ECAAMO CCn1ccc2c(cc(C(=O)NCCC[NH+]3CCOCC3)n2C)c1=O ZINC000065118667 436651225 /nfs/dbraw/zinc/65/12/25/436651225.db2.gz VYCHACAPOFCYSN-UHFFFAOYSA-N 1 1 346.431 0.812 50 0 ECAAMO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CCN(C2CCCC2)CC1 ZINC000065395120 436657618 /nfs/dbraw/zinc/65/76/18/436657618.db2.gz VRBBGLAEZQJAGE-HNNXBMFYSA-N 1 1 346.479 0.978 50 0 ECAAMO Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(c1nc(N)cc[nH+]1)C2 ZINC000222741339 436703053 /nfs/dbraw/zinc/70/30/53/436703053.db2.gz NLJUVUOEWZEPLL-OAHLLOKOSA-N 1 1 340.391 0.481 50 0 ECAAMO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N[C@H]1CCCCNC1=O ZINC000225343156 436710717 /nfs/dbraw/zinc/71/07/17/436710717.db2.gz KQEWKXXVRSLBNF-CABCVRRESA-N 1 1 345.447 0.600 50 0 ECAAMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)N[C@H]1CCCCNC1=O ZINC000225343156 436710720 /nfs/dbraw/zinc/71/07/20/436710720.db2.gz KQEWKXXVRSLBNF-CABCVRRESA-N 1 1 345.447 0.600 50 0 ECAAMO CC1(C)OCC(CO)([NH2+]CCNS(=O)(=O)c2ccccc2)CO1 ZINC000225670971 436713289 /nfs/dbraw/zinc/71/32/89/436713289.db2.gz FSRFNDWBFROFBO-UHFFFAOYSA-N 1 1 344.433 0.069 50 0 ECAAMO CO[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000225652894 436713870 /nfs/dbraw/zinc/71/38/70/436713870.db2.gz OJXOKTFSHKWKJP-QLFBSQMISA-N 1 1 340.468 0.783 50 0 ECAAMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000065430387 436662063 /nfs/dbraw/zinc/66/20/63/436662063.db2.gz TUYMHDLYOPYWKP-OAHLLOKOSA-N 1 1 332.383 0.678 50 0 ECAAMO NC(=O)Cn1cc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000065489806 436664257 /nfs/dbraw/zinc/66/42/57/436664257.db2.gz FIRGXXDFJBINQM-UHFFFAOYSA-N 1 1 342.403 0.548 50 0 ECAAMO C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(-n3cnnn3)ccc1O)CC2 ZINC000065528611 436666051 /nfs/dbraw/zinc/66/60/51/436666051.db2.gz UYGBWSKJGYFVDP-UHFFFAOYSA-N 1 1 342.403 0.926 50 0 ECAAMO Cn1ncc2c1ncn(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c2=O ZINC000065523541 436666855 /nfs/dbraw/zinc/66/68/55/436666855.db2.gz KQPBMAPMHGXMAV-AWEZNQCLSA-N 1 1 327.388 0.623 50 0 ECAAMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000065587678 436668135 /nfs/dbraw/zinc/66/81/35/436668135.db2.gz VAJOYRJRMPWOQJ-NSHDSACASA-N 1 1 328.413 0.951 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@H]2C1 ZINC000272564681 436719021 /nfs/dbraw/zinc/71/90/21/436719021.db2.gz KBZDKCMJEBXDOH-HOCLYGCPSA-N 1 1 346.431 0.786 50 0 ECAAMO CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237198653 436726733 /nfs/dbraw/zinc/72/67/33/436726733.db2.gz BXCQOUOYIOQDMR-JKSUJKDBSA-N 1 1 330.432 0.451 50 0 ECAAMO O=C(CN1CC(=O)NC1=O)NC[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000067893976 436727858 /nfs/dbraw/zinc/72/78/58/436727858.db2.gz DPKNWFILCDPOIB-CYBMUJFWSA-N 1 1 336.436 0.699 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000239761382 436758120 /nfs/dbraw/zinc/75/81/20/436758120.db2.gz CJTRHQJUECXBLV-HIFRSBDPSA-N 1 1 348.378 0.537 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000239761382 436758124 /nfs/dbraw/zinc/75/81/24/436758124.db2.gz CJTRHQJUECXBLV-HIFRSBDPSA-N 1 1 348.378 0.537 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229559575 436716279 /nfs/dbraw/zinc/71/62/79/436716279.db2.gz ZSACBTZXFHFQBT-YESZJQIVSA-N 1 1 339.480 0.545 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000248856842 436812396 /nfs/dbraw/zinc/81/23/96/436812396.db2.gz ZDJHCSBLBWFWSQ-CVEARBPZSA-N 1 1 325.453 0.768 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000246043730 436771686 /nfs/dbraw/zinc/77/16/86/436771686.db2.gz SJUAEIOLFBXSRM-HOTGVXAUSA-N 1 1 345.509 0.455 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N)nc2)CC1=O ZINC000246569265 436780882 /nfs/dbraw/zinc/78/08/82/436780882.db2.gz BKGGIKQLHYJYRI-GXTWGEPZSA-N 1 1 331.420 0.935 50 0 ECAAMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000247802788 436797249 /nfs/dbraw/zinc/79/72/49/436797249.db2.gz WSOBLWCHWBVTQM-OAGGEKHMSA-N 1 1 334.464 0.141 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)[C@H]1C ZINC000248119076 436800935 /nfs/dbraw/zinc/80/09/35/436800935.db2.gz UJWTYPQIZQEWFF-BARDWOONSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)[C@H]1C ZINC000248119076 436800939 /nfs/dbraw/zinc/80/09/39/436800939.db2.gz UJWTYPQIZQEWFF-BARDWOONSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)C(=O)N1CCCC1 ZINC000248254937 436801515 /nfs/dbraw/zinc/80/15/15/436801515.db2.gz NXKBZEJLOCFUAX-SOUVJXGZSA-N 1 1 343.493 0.238 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000249695552 436826661 /nfs/dbraw/zinc/82/66/61/436826661.db2.gz QZMNRTQMQSVXNT-HUUCEWRRSA-N 1 1 343.493 0.192 50 0 ECAAMO Cc1nn2c(nc(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cc2=O)s1 ZINC000252506465 436835352 /nfs/dbraw/zinc/83/53/52/436835352.db2.gz TUEKHKJPUIHSSN-MNOVXSKESA-N 1 1 337.449 0.346 50 0 ECAAMO CC(=O)N1CCCC[C@@H]1CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000257366086 436877243 /nfs/dbraw/zinc/87/72/43/436877243.db2.gz IHCJGKWQSPCWKN-USXIJHARSA-N 1 1 337.464 0.957 50 0 ECAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1)c1ccco1 ZINC000257366186 436877727 /nfs/dbraw/zinc/87/77/27/436877727.db2.gz MLIJFGBHRYPIKM-JKDFXYPNSA-N 1 1 348.403 0.767 50 0 ECAAMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170619939 436948362 /nfs/dbraw/zinc/94/83/62/436948362.db2.gz CRVZKAVVQDQGLO-LLVKDONJSA-N 1 1 327.406 0.546 50 0 ECAAMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000170619939 436948366 /nfs/dbraw/zinc/94/83/66/436948366.db2.gz CRVZKAVVQDQGLO-LLVKDONJSA-N 1 1 327.406 0.546 50 0 ECAAMO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299769527 437110701 /nfs/dbraw/zinc/11/07/01/437110701.db2.gz QCTOTYXHJSFCEV-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO Cc1ccc(F)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299769527 437110703 /nfs/dbraw/zinc/11/07/03/437110703.db2.gz QCTOTYXHJSFCEV-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO CCS(=O)(=O)CCN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279431 437541681 /nfs/dbraw/zinc/54/16/81/437541681.db2.gz UWFXMSCPMISXOH-QGZVFWFLSA-N 1 1 340.489 0.990 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC(c3ccncc3)C2)C1 ZINC000426358513 438054262 /nfs/dbraw/zinc/05/42/62/438054262.db2.gz OKLPGGRQDOQYTN-HNNXBMFYSA-N 1 1 345.447 0.778 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)on1 ZINC000426376593 438055039 /nfs/dbraw/zinc/05/50/39/438055039.db2.gz XWKGYJQUCAQVOE-ZIAGYGMSSA-N 1 1 334.376 0.953 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)on1 ZINC000426376593 438055044 /nfs/dbraw/zinc/05/50/44/438055044.db2.gz XWKGYJQUCAQVOE-ZIAGYGMSSA-N 1 1 334.376 0.953 50 0 ECAAMO C[C@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C)CC1 ZINC000426383088 438056288 /nfs/dbraw/zinc/05/62/88/438056288.db2.gz HOISCAUUAWOCKP-GFCCVEGCSA-N 1 1 329.408 0.119 50 0 ECAAMO Cc1[nH]nc2c1CN(C(=O)Cn1ccc([C@H]3CCC[NH2+]C3)n1)CC2 ZINC000426545233 438065147 /nfs/dbraw/zinc/06/51/47/438065147.db2.gz WWQXRKJTKVTGLH-ZDUSSCGKSA-N 1 1 328.420 0.967 50 0 ECAAMO CN1CCN(CC(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)C1=O ZINC000534648402 439530797 /nfs/dbraw/zinc/53/07/97/439530797.db2.gz WXGLZPVRQSYROE-UHFFFAOYSA-N 1 1 337.468 0.030 50 0 ECAAMO Cn1ncc(Cl)c1C(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000584889077 439624307 /nfs/dbraw/zinc/62/43/07/439624307.db2.gz ULKOCVUQOVUPRS-GFCCVEGCSA-N 1 1 326.828 0.992 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC(CCC(N)=O)CC2)C1 ZINC000584890773 439624471 /nfs/dbraw/zinc/62/44/71/439624471.db2.gz YXQBEXLBMLUBRS-OAHLLOKOSA-N 1 1 325.453 0.990 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046140900 545668583 /nfs/dbraw/zinc/66/85/83/545668583.db2.gz MSUSEICYKPFWDO-UHFFFAOYSA-N 1 1 331.463 0.445 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000670438645 548011504 /nfs/dbraw/zinc/01/15/04/548011504.db2.gz CABRTIBMAYNWEJ-CQSZACIVSA-N 1 1 329.404 0.965 50 0 ECAAMO NS(=O)(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670458871 548016068 /nfs/dbraw/zinc/01/60/68/548016068.db2.gz KNADXQYAUVTVFV-GFCCVEGCSA-N 1 1 345.490 0.897 50 0 ECAAMO O=C(C[C@@H]1CCOC1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670463000 548017002 /nfs/dbraw/zinc/01/70/02/548017002.db2.gz ZZRMZUZUFYONBF-ZDUSSCGKSA-N 1 1 344.477 0.571 50 0 ECAAMO O=C(NCc1cccnc1-n1cccn1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677862278 548962639 /nfs/dbraw/zinc/96/26/39/548962639.db2.gz INQLKKVIHFWZCY-OAHLLOKOSA-N 1 1 326.404 0.273 50 0 ECAAMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)CN1CCOCC1)CC2 ZINC000169782518 609746848 /nfs/dbraw/zinc/74/68/48/609746848.db2.gz IABALTGFGDXBMC-OAHLLOKOSA-N 1 1 325.453 0.135 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000952971106 612139047 /nfs/dbraw/zinc/13/90/47/612139047.db2.gz DEZKZDDZLYFHGF-GXTWGEPZSA-N 1 1 339.823 0.687 50 0 ECAAMO COc1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc(-n2cnnn2)c1 ZINC000952978191 612139804 /nfs/dbraw/zinc/13/98/04/612139804.db2.gz DNDJKHYKXWTKQS-LBPRGKRZSA-N 1 1 345.407 0.245 50 0 ECAAMO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000089937720 612810943 /nfs/dbraw/zinc/81/09/43/612810943.db2.gz XAQUUVAAIRUELW-PPGNKHEKSA-N 1 1 337.445 0.770 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1 ZINC000052620269 214136274 /nfs/dbraw/zinc/13/62/74/214136274.db2.gz MVZZSKFKSOFHBO-OAHLLOKOSA-N 1 1 342.443 0.790 50 0 ECAAMO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000052620269 214136278 /nfs/dbraw/zinc/13/62/78/214136278.db2.gz MVZZSKFKSOFHBO-OAHLLOKOSA-N 1 1 342.443 0.790 50 0 ECAAMO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000052620269 214136282 /nfs/dbraw/zinc/13/62/82/214136282.db2.gz MVZZSKFKSOFHBO-OAHLLOKOSA-N 1 1 342.443 0.790 50 0 ECAAMO O=C(CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)N1CCOCC1 ZINC000052835497 214148077 /nfs/dbraw/zinc/14/80/77/214148077.db2.gz VYZRQRYTHWUKNC-MRXNPFEDSA-N 1 1 331.416 0.799 50 0 ECAAMO CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)cn2C)CC1 ZINC000055171335 214283291 /nfs/dbraw/zinc/28/32/91/214283291.db2.gz XGQPXGGPSOAXEY-UHFFFAOYSA-N 1 1 328.438 0.101 50 0 ECAAMO Cc1ccccc1C[N@H+]1CCN(C(=O)CN2CCCC2=O)C[C@H](O)C1 ZINC000097815262 219058607 /nfs/dbraw/zinc/05/86/07/219058607.db2.gz KEMQGPYBKYXQOB-QGZVFWFLSA-N 1 1 345.443 0.623 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000067473394 215151589 /nfs/dbraw/zinc/15/15/89/215151589.db2.gz OMZFKCVSNCCGLW-AWEZNQCLSA-N 1 1 330.392 0.328 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000067473394 215151592 /nfs/dbraw/zinc/15/15/92/215151592.db2.gz OMZFKCVSNCCGLW-AWEZNQCLSA-N 1 1 330.392 0.328 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3cnnn3)cc2O)C1 ZINC000067654480 215175563 /nfs/dbraw/zinc/17/55/63/215175563.db2.gz XPTCOELMXDXDRK-LBPRGKRZSA-N 1 1 330.392 0.830 50 0 ECAAMO O=C(NCCc1cn[nH]c1)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000067695381 215187995 /nfs/dbraw/zinc/18/79/95/215187995.db2.gz WMAQTNASSZKSHK-IEBWSBKVSA-N 1 1 339.443 0.790 50 0 ECAAMO Cn1c2ccc(S(=O)(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2oc1=O ZINC000067756435 215205092 /nfs/dbraw/zinc/20/50/92/215205092.db2.gz TVQNXSDKQBEAET-LLVKDONJSA-N 1 1 339.417 0.752 50 0 ECAAMO NC(=O)CN1CCC=C(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C1 ZINC000067803063 215214800 /nfs/dbraw/zinc/21/48/00/215214800.db2.gz QFQRPUWMBFYDJA-MRXNPFEDSA-N 1 1 349.479 0.374 50 0 ECAAMO CCOC(=O)c1n[nH]cc1C[NH+]1CCC(c2n[nH]c(=O)n2CC)CC1 ZINC000067817835 215220093 /nfs/dbraw/zinc/22/00/93/215220093.db2.gz SLEIGIFMJGMXPB-UHFFFAOYSA-N 1 1 348.407 0.871 50 0 ECAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2ccc3nonc3c2)C1=O ZINC000067805558 215218064 /nfs/dbraw/zinc/21/80/64/215218064.db2.gz SVMGCLGRHJCCSA-KRWDZBQOSA-N 1 1 348.403 0.655 50 0 ECAAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067885122 215240452 /nfs/dbraw/zinc/24/04/52/215240452.db2.gz RQXQUJJMAPFFAP-CQSZACIVSA-N 1 1 336.436 0.921 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000069655080 215516993 /nfs/dbraw/zinc/51/69/93/215516993.db2.gz VHVBVKTVFOLRGL-UKRRQHHQSA-N 1 1 346.435 0.883 50 0 ECAAMO COc1nc2c(cc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1)CCC2 ZINC000072145211 216032580 /nfs/dbraw/zinc/03/25/80/216032580.db2.gz UFTBGVIIPDBOOH-OAHLLOKOSA-N 1 1 344.415 0.272 50 0 ECAAMO C[N@@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1 ZINC000072167378 216058265 /nfs/dbraw/zinc/05/82/65/216058265.db2.gz ARHRKWBZRFTZNZ-INIZCTEOSA-N 1 1 332.496 0.446 50 0 ECAAMO C[N@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1 ZINC000072167378 216058269 /nfs/dbraw/zinc/05/82/69/216058269.db2.gz ARHRKWBZRFTZNZ-INIZCTEOSA-N 1 1 332.496 0.446 50 0 ECAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C(N)=O)C2)CC1 ZINC000072169602 216060327 /nfs/dbraw/zinc/06/03/27/216060327.db2.gz WKQDBSHVTKDXQY-CQSZACIVSA-N 1 1 346.431 0.294 50 0 ECAAMO CC[NH+]1CCN(C2(C(=O)N[C@@H](C)C(N)=O)Cc3ccccc3C2)CC1 ZINC000072168847 216060375 /nfs/dbraw/zinc/06/03/75/216060375.db2.gz CSDNZTDLZXFGAT-AWEZNQCLSA-N 1 1 344.459 0.152 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C(N)=O ZINC000072282383 216111811 /nfs/dbraw/zinc/11/18/11/216111811.db2.gz HYSKEEXJMTUPEM-STQMWFEESA-N 1 1 337.445 0.951 50 0 ECAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC000072423755 216212838 /nfs/dbraw/zinc/21/28/38/216212838.db2.gz HVSFPOXIYPWHCH-UHFFFAOYSA-N 1 1 339.461 0.708 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000000062533 209395599 /nfs/dbraw/zinc/39/55/99/209395599.db2.gz GKKDWHDTXCXDBB-HNNXBMFYSA-N 1 1 345.399 0.915 50 0 ECAAMO OC[C@@H]1CCC[N@H+](CCn2ccnc2-c2cc3n(n2)CCNC3)C1 ZINC000072440087 216233630 /nfs/dbraw/zinc/23/36/30/216233630.db2.gz QWKPHNNNVVNINI-CQSZACIVSA-N 1 1 330.436 0.554 50 0 ECAAMO OC[C@@H]1CCC[N@@H+](CCn2ccnc2-c2cc3n(n2)CCNC3)C1 ZINC000072440087 216233633 /nfs/dbraw/zinc/23/36/33/216233633.db2.gz QWKPHNNNVVNINI-CQSZACIVSA-N 1 1 330.436 0.554 50 0 ECAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cnc(COC)nc3)CC[C@H]21 ZINC000072479649 216258115 /nfs/dbraw/zinc/25/81/15/216258115.db2.gz BGUHLRHOKUXHSX-JKSUJKDBSA-N 1 1 347.463 0.655 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000023431910 212376980 /nfs/dbraw/zinc/37/69/80/212376980.db2.gz RKNWBZBWYGEKNY-HNNXBMFYSA-N 1 1 348.447 0.975 50 0 ECAAMO CC(=O)Nc1cccc(NC(=O)C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000206609479 241045179 /nfs/dbraw/zinc/04/51/79/241045179.db2.gz AIIOWDPDRHPKKG-UHFFFAOYSA-N 1 1 348.403 0.156 50 0 ECAAMO COc1cc2c(cc1CNC(=O)C[N@@H+]1CCC[C@H](O)C1)OCCO2 ZINC000219320600 241380126 /nfs/dbraw/zinc/38/01/26/241380126.db2.gz ILNATLZGWCTUJY-ZDUSSCGKSA-N 1 1 336.388 0.539 50 0 ECAAMO COc1cc2c(cc1CNC(=O)C[N@H+]1CCC[C@H](O)C1)OCCO2 ZINC000219320600 241380136 /nfs/dbraw/zinc/38/01/36/241380136.db2.gz ILNATLZGWCTUJY-ZDUSSCGKSA-N 1 1 336.388 0.539 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000229515089 242171940 /nfs/dbraw/zinc/17/19/40/242171940.db2.gz KLGRTOPJBGFING-SJORKVTESA-N 1 1 337.468 0.300 50 0 ECAAMO CS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229816371 242203734 /nfs/dbraw/zinc/20/37/34/242203734.db2.gz QBKVHIKOCNDDJX-KBPBESRZSA-N 1 1 344.481 0.336 50 0 ECAAMO COCCn1c(CN2CC(N3CCCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244742117 243073973 /nfs/dbraw/zinc/07/39/73/243073973.db2.gz OCDKSBFFNDDSDX-SHTZXODSSA-N 1 1 348.495 0.799 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccccn3)no2)CC1 ZINC000020676978 212162619 /nfs/dbraw/zinc/16/26/19/212162619.db2.gz FKGUNWJQRYLZTR-UHFFFAOYSA-N 1 1 330.392 0.499 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000020051405 212097727 /nfs/dbraw/zinc/09/77/27/212097727.db2.gz ZVAXOJIUXWMRMH-HNNXBMFYSA-N 1 1 331.416 0.878 50 0 ECAAMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020046419 212097759 /nfs/dbraw/zinc/09/77/59/212097759.db2.gz RDQPLLBWVMXRHS-UHFFFAOYSA-N 1 1 345.852 0.735 50 0 ECAAMO CSCCNC(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019739542 212060397 /nfs/dbraw/zinc/06/03/97/212060397.db2.gz LNTKSWSYZNOMHB-AWEZNQCLSA-N 1 1 343.493 0.427 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019527818 212037967 /nfs/dbraw/zinc/03/79/67/212037967.db2.gz ISPPISBCMGCOLB-UHFFFAOYSA-N 1 1 339.461 0.780 50 0 ECAAMO Cc1cccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000091434324 218005021 /nfs/dbraw/zinc/00/50/21/218005021.db2.gz FXDUFESDBKZJKU-IAGOWNOFSA-N 1 1 348.443 0.773 50 0 ECAAMO O=C(CCOc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091440513 218006273 /nfs/dbraw/zinc/00/62/73/218006273.db2.gz ZZGLSPZEBFKPEL-IAGOWNOFSA-N 1 1 348.443 0.855 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccnc(N)c2)C1 ZINC000091445216 218007597 /nfs/dbraw/zinc/00/75/97/218007597.db2.gz XCZNOQPBBXDTEL-ZIAGYGMSSA-N 1 1 336.436 0.313 50 0 ECAAMO CCc1nc2c(ncnc2N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000091551200 218021086 /nfs/dbraw/zinc/02/10/86/218021086.db2.gz IEPWLKJJMDXKKD-CHWSQXEVSA-N 1 1 347.419 0.557 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)NC(C)C)CC[N@H+]2C)CCC1=O ZINC000091616688 218031283 /nfs/dbraw/zinc/03/12/83/218031283.db2.gz MFVKLMHMCYRHEZ-KRWDZBQOSA-N 1 1 340.468 0.750 50 0 ECAAMO CC(C)c1nccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000091706464 218050980 /nfs/dbraw/zinc/05/09/80/218050980.db2.gz DOKZTMZGYYQZOH-HUUCEWRRSA-N 1 1 348.447 0.613 50 0 ECAAMO NC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000091810010 218069461 /nfs/dbraw/zinc/06/94/61/218069461.db2.gz RRZNNVPCPKKDKU-GOEBONIOSA-N 1 1 349.406 0.750 50 0 ECAAMO CCc1noc(C)c1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091943555 218092402 /nfs/dbraw/zinc/09/24/02/218092402.db2.gz AMODWYRRCURYFP-QGZVFWFLSA-N 1 1 334.420 0.972 50 0 ECAAMO CCc1noc(C)c1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091943555 218092405 /nfs/dbraw/zinc/09/24/05/218092405.db2.gz AMODWYRRCURYFP-QGZVFWFLSA-N 1 1 334.420 0.972 50 0 ECAAMO Cc1nc(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1C ZINC000091988449 218099172 /nfs/dbraw/zinc/09/91/72/218099172.db2.gz RHTGKBNIKNEHRB-HUUCEWRRSA-N 1 1 337.468 0.128 50 0 ECAAMO Cc1nc(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091988449 218099175 /nfs/dbraw/zinc/09/91/75/218099175.db2.gz RHTGKBNIKNEHRB-HUUCEWRRSA-N 1 1 337.468 0.128 50 0 ECAAMO C[N@H+]1CCN(c2nnnn2-c2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000095382422 218314545 /nfs/dbraw/zinc/31/45/45/218314545.db2.gz DGAVWWKVSJYPAZ-KRWDZBQOSA-N 1 1 341.419 0.453 50 0 ECAAMO C[NH+](C)CCN1C[C@@H](C(=O)NCc2n[nH]c3c2CCCCC3)CC1=O ZINC000095392889 218325283 /nfs/dbraw/zinc/32/52/83/218325283.db2.gz SCSZNJVUYBGEOY-ZDUSSCGKSA-N 1 1 347.463 0.705 50 0 ECAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095526503 218430659 /nfs/dbraw/zinc/43/06/59/218430659.db2.gz QLGVGNPCMOUFFS-LBPRGKRZSA-N 1 1 326.422 0.940 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1cnc(-c2cccnc2)nc1 ZINC000097474874 219028653 /nfs/dbraw/zinc/02/86/53/219028653.db2.gz CFHVCNWDIBFYOF-UHFFFAOYSA-N 1 1 327.388 0.991 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000299775872 258086610 /nfs/dbraw/zinc/08/66/10/258086610.db2.gz KZDYJRSVFWFBER-KBPBESRZSA-N 1 1 346.387 0.878 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cnc3cccc(C)n3c2=O)C1 ZINC000299780968 258089482 /nfs/dbraw/zinc/08/94/82/258089482.db2.gz CFYYTTWASJCHSJ-AWEZNQCLSA-N 1 1 344.415 0.701 50 0 ECAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299781875 258090861 /nfs/dbraw/zinc/09/08/61/258090861.db2.gz FKWQGPKCKJHRCU-AWEZNQCLSA-N 1 1 342.399 0.615 50 0 ECAAMO Cc1cc(=O)cc(C(=O)N2CCN(CC[NH+]3CCOCC3)CC2)o1 ZINC000299788112 258094122 /nfs/dbraw/zinc/09/41/22/258094122.db2.gz VFLWKJKIWFKWNF-UHFFFAOYSA-N 1 1 335.404 0.038 50 0 ECAAMO Cc1n[nH]cc1CN(C)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299760546 258078017 /nfs/dbraw/zinc/07/80/17/258078017.db2.gz WFDBQIKWUCSYRT-LBPRGKRZSA-N 1 1 344.419 0.829 50 0 ECAAMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C(N)=O ZINC000046036602 292182937 /nfs/dbraw/zinc/18/29/37/292182937.db2.gz AITVZWXQGUCTEZ-HUUCEWRRSA-N 1 1 337.445 0.999 50 0 ECAAMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(c3nc(N(C)C)no3)CC2)C1 ZINC000193956138 165061732 /nfs/dbraw/zinc/06/17/32/165061732.db2.gz DEFAWAMGCWCHBQ-ZDUSSCGKSA-N 1 1 337.424 0.562 50 0 ECAAMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(c3nc(N(C)C)no3)CC2)C1 ZINC000193956138 165061734 /nfs/dbraw/zinc/06/17/34/165061734.db2.gz DEFAWAMGCWCHBQ-ZDUSSCGKSA-N 1 1 337.424 0.562 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000070021565 276536110 /nfs/dbraw/zinc/53/61/10/276536110.db2.gz AQJUICNEMJBJMC-AEFFLSMTSA-N 1 1 345.443 0.879 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000048301086 276855099 /nfs/dbraw/zinc/85/50/99/276855099.db2.gz KEDBBUUZJYUHLU-GFCCVEGCSA-N 1 1 344.437 0.169 50 0 ECAAMO CN1CCC[C@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)C1=O ZINC000091690640 277086705 /nfs/dbraw/zinc/08/67/05/277086705.db2.gz RUPCUKPHRILDOZ-GOSISDBHSA-N 1 1 345.447 0.758 50 0 ECAAMO C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC000095522991 277089417 /nfs/dbraw/zinc/08/94/17/277089417.db2.gz NTWRSQCWHNOTDP-AWEZNQCLSA-N 1 1 333.436 0.816 50 0 ECAAMO Cn1cc2ncn(CC3([NH+]4CCN(C)CC4)CCCC3)c(=O)c2n1 ZINC000072159098 279357071 /nfs/dbraw/zinc/35/70/71/279357071.db2.gz PZGCNSNKRDXHHS-UHFFFAOYSA-N 1 1 330.436 0.690 50 0 ECAAMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000344606650 298042146 /nfs/dbraw/zinc/04/21/46/298042146.db2.gz PWSUZPZXWKBXTN-RBSFLKMASA-N 1 1 337.420 0.100 50 0 ECAAMO Cc1nc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)oc1C ZINC000069697185 435959955 /nfs/dbraw/zinc/95/99/55/435959955.db2.gz BTUJESHUMQMKET-INIZCTEOSA-N 1 1 338.452 0.102 50 0 ECAAMO Cc1nnc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)o1 ZINC000069770309 435966339 /nfs/dbraw/zinc/96/63/39/435966339.db2.gz GLZZKYOWZFGGCV-HNNXBMFYSA-N 1 1 332.404 0.936 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069895742 435975256 /nfs/dbraw/zinc/97/52/56/435975256.db2.gz QPSNLZQHZWYEQJ-LSDHHAIUSA-N 1 1 349.431 0.543 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1[nH+]ccn1C ZINC000069875814 435975485 /nfs/dbraw/zinc/97/54/85/435975485.db2.gz QKOXYDCNXMQIML-UHFFFAOYSA-N 1 1 336.373 0.627 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000070007739 435983215 /nfs/dbraw/zinc/98/32/15/435983215.db2.gz OUXRGNQOWKRMBA-LBPRGKRZSA-N 1 1 337.386 0.786 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000070011669 435983868 /nfs/dbraw/zinc/98/38/68/435983868.db2.gz UKDBHTLFMPDUAZ-MRXNPFEDSA-N 1 1 347.463 0.608 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)C[C@@H](C)O1 ZINC000069628497 435954202 /nfs/dbraw/zinc/95/42/02/435954202.db2.gz FTLHGAJVIWBVAJ-WCXIOVBPSA-N 1 1 337.468 0.460 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000071864231 436018237 /nfs/dbraw/zinc/01/82/37/436018237.db2.gz HVBDYVWBCTUZNC-HZPDHXFCSA-N 1 1 349.475 0.741 50 0 ECAAMO O=C(CN1CCCC1=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071863643 436018439 /nfs/dbraw/zinc/01/84/39/436018439.db2.gz WGLQEHJVWLJPGR-MRXNPFEDSA-N 1 1 331.416 0.487 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839929 436019175 /nfs/dbraw/zinc/01/91/75/436019175.db2.gz QKGDZGOMWHUREJ-ZDUSSCGKSA-N 1 1 327.388 0.488 50 0 ECAAMO CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000071842043 436019696 /nfs/dbraw/zinc/01/96/96/436019696.db2.gz BTAQIYZXOQLFJF-LBPRGKRZSA-N 1 1 326.418 0.666 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 ZINC000071871390 436020704 /nfs/dbraw/zinc/02/07/04/436020704.db2.gz UISNPOAPTMJXSX-WBVHZDCISA-N 1 1 328.416 0.998 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000071875907 436022083 /nfs/dbraw/zinc/02/20/83/436022083.db2.gz AKSIBRVSRJBMSJ-HUUCEWRRSA-N 1 1 333.436 0.441 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000071875907 436022086 /nfs/dbraw/zinc/02/20/86/436022086.db2.gz AKSIBRVSRJBMSJ-HUUCEWRRSA-N 1 1 333.436 0.441 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 ZINC000071881095 436024939 /nfs/dbraw/zinc/02/49/39/436024939.db2.gz FLERNHANGZEVSC-JYJNAYRXSA-N 1 1 328.453 0.876 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000071881955 436025014 /nfs/dbraw/zinc/02/50/14/436025014.db2.gz FKYONCKOFWBXOF-CQSZACIVSA-N 1 1 347.415 0.912 50 0 ECAAMO CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC000071915318 436031361 /nfs/dbraw/zinc/03/13/61/436031361.db2.gz CGRMPGQTOXLVSE-SJORKVTESA-N 1 1 344.459 0.664 50 0 ECAAMO Cn1nc2c(cc1=O)CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000072302244 436043437 /nfs/dbraw/zinc/04/34/37/436043437.db2.gz DBSPXEYWEACEQE-KRWDZBQOSA-N 1 1 342.443 0.631 50 0 ECAAMO Cc1ccc(NC(=O)C[C@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1C ZINC000013721156 436066579 /nfs/dbraw/zinc/06/65/79/436066579.db2.gz MEHRWRAKTLBAJS-OAHLLOKOSA-N 1 1 343.431 0.734 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnc3onc(C)c3c2)CC1 ZINC000025235013 436148753 /nfs/dbraw/zinc/14/87/53/436148753.db2.gz GGCAVCRFDUNCPU-UHFFFAOYSA-N 1 1 331.376 0.471 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000075132309 436152238 /nfs/dbraw/zinc/15/22/38/436152238.db2.gz NDVRGQSTCCFTNJ-INIZCTEOSA-N 1 1 347.463 0.865 50 0 ECAAMO Cn1ncc(N2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1=O ZINC000023214688 436124170 /nfs/dbraw/zinc/12/41/70/436124170.db2.gz CLCGGUYISLFJFP-UHFFFAOYSA-N 1 1 326.360 0.639 50 0 ECAAMO Cc1cc(C)n(CC[N@@H+]2CCCN(C(=O)c3cn(C)nn3)CC2)n1 ZINC000075162640 436155881 /nfs/dbraw/zinc/15/58/81/436155881.db2.gz RRMVZZRQOLTRQG-UHFFFAOYSA-N 1 1 331.424 0.477 50 0 ECAAMO CN(C)C(=O)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000075582744 436167648 /nfs/dbraw/zinc/16/76/48/436167648.db2.gz LOWGMSRUFPEXCI-INIZCTEOSA-N 1 1 332.448 0.938 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000076055829 436187845 /nfs/dbraw/zinc/18/78/45/436187845.db2.gz YUMWZDKTLOFIDU-YOEHRIQHSA-N 1 1 332.448 0.370 50 0 ECAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC000033318390 436254001 /nfs/dbraw/zinc/25/40/01/436254001.db2.gz VCXCQJXTWFMKTH-UHFFFAOYSA-N 1 1 339.465 0.857 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000045314334 436365669 /nfs/dbraw/zinc/36/56/69/436365669.db2.gz GCQIRYNFXKYVCE-NWDGAFQWSA-N 1 1 334.420 0.361 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000045314334 436365675 /nfs/dbraw/zinc/36/56/75/436365675.db2.gz GCQIRYNFXKYVCE-NWDGAFQWSA-N 1 1 334.420 0.361 50 0 ECAAMO CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000045526387 436369311 /nfs/dbraw/zinc/36/93/11/436369311.db2.gz AJNDKAPFWLQEFC-CABCVRRESA-N 1 1 340.468 0.640 50 0 ECAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000084026882 436377112 /nfs/dbraw/zinc/37/71/12/436377112.db2.gz GTBFJNXYCDPEHR-NEPJUHHUSA-N 1 1 346.387 0.496 50 0 ECAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)N1CCOCC1 ZINC000046168116 436387496 /nfs/dbraw/zinc/38/74/96/436387496.db2.gz JDGXLJPLXMGLQJ-UHFFFAOYSA-N 1 1 333.432 0.542 50 0 ECAAMO O=C(c1cnn(-c2ccccc2)n1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436557 436387825 /nfs/dbraw/zinc/38/78/25/436387825.db2.gz HKVXBYXIZRWTGS-KRWDZBQOSA-N 1 1 341.415 0.796 50 0 ECAAMO O=C(CN1CC[NH+](C[C@H](O)c2cccs2)CC1)N1CCOCC1 ZINC000085436930 436389850 /nfs/dbraw/zinc/38/98/50/436389850.db2.gz HEEJUQRTCKFMJZ-AWEZNQCLSA-N 1 1 339.461 0.258 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000048355622 436450996 /nfs/dbraw/zinc/45/09/96/436450996.db2.gz TYPCQYBUIOUGOV-UHFFFAOYSA-N 1 1 328.420 0.635 50 0 ECAAMO CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc2c(c1)OCCO2 ZINC000048362333 436451429 /nfs/dbraw/zinc/45/14/29/436451429.db2.gz SEOADBPONJJQMW-UHFFFAOYSA-N 1 1 333.388 0.238 50 0 ECAAMO CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc2c(c1)OCCO2 ZINC000048362333 436451430 /nfs/dbraw/zinc/45/14/30/436451430.db2.gz SEOADBPONJJQMW-UHFFFAOYSA-N 1 1 333.388 0.238 50 0 ECAAMO CCc1nc(C)sc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091650391 436456610 /nfs/dbraw/zinc/45/66/10/436456610.db2.gz XDGCJXZYQPGVNI-CHWSQXEVSA-N 1 1 341.477 0.619 50 0 ECAAMO CCn1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](CC)CCO)C2)c(C)n1 ZINC000091830641 436460258 /nfs/dbraw/zinc/46/02/58/436460258.db2.gz NQRIFSIUCSGTTM-HUUCEWRRSA-N 1 1 338.452 0.206 50 0 ECAAMO C[C@H](CNC(=O)c1nccnc1N)[NH+]1CCN(c2ccccc2)CC1 ZINC000089901708 436420204 /nfs/dbraw/zinc/42/02/04/436420204.db2.gz FVPANKZCJFRYMU-CQSZACIVSA-N 1 1 340.431 0.999 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cn2c[nH+]c(C)c2C)CN1C ZINC000096131215 436515549 /nfs/dbraw/zinc/51/55/49/436515549.db2.gz CNWIPTULNBKAFQ-CABCVRRESA-N 1 1 335.452 0.557 50 0 ECAAMO NC(=O)Cn1ccnc1C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000095502926 436497326 /nfs/dbraw/zinc/49/73/26/436497326.db2.gz YMKUUIPSCXEAMF-UHFFFAOYSA-N 1 1 347.463 0.997 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)[C@H](C)C1 ZINC000095984604 436502111 /nfs/dbraw/zinc/50/21/11/436502111.db2.gz AOLLGYKZLJMQSK-CHWSQXEVSA-N 1 1 339.436 0.387 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)[C@H](C)C1 ZINC000095984604 436502114 /nfs/dbraw/zinc/50/21/14/436502114.db2.gz AOLLGYKZLJMQSK-CHWSQXEVSA-N 1 1 339.436 0.387 50 0 ECAAMO Cn1nc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097813619 436544955 /nfs/dbraw/zinc/54/49/55/436544955.db2.gz JJUQNKOVJKOJTQ-SECBINFHSA-N 1 1 347.341 0.366 50 0 ECAAMO Cc1ccc([C@@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000058264928 436622776 /nfs/dbraw/zinc/62/27/76/436622776.db2.gz TYGQIRAHVDBGRL-OAHLLOKOSA-N 1 1 327.450 0.764 50 0 ECAAMO C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000107058916 436608003 /nfs/dbraw/zinc/60/80/03/436608003.db2.gz WUYXXOGRRJOIJU-ZYHUDNBSSA-N 1 1 338.433 0.105 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@@H]2C)CC1 ZINC000107141969 436608857 /nfs/dbraw/zinc/60/88/57/436608857.db2.gz ZMRCDSKEYRIUIT-JJRVBVJISA-N 1 1 336.480 0.386 50 0 ECAAMO CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065370480 436655294 /nfs/dbraw/zinc/65/52/94/436655294.db2.gz WUNJUXWEKHKIKF-QLJPJBMISA-N 1 1 347.444 0.094 50 0 ECAAMO CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065370480 436655296 /nfs/dbraw/zinc/65/52/96/436655296.db2.gz WUNJUXWEKHKIKF-QLJPJBMISA-N 1 1 347.444 0.094 50 0 ECAAMO O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CC[NH2+]C2 ZINC000065375854 436655848 /nfs/dbraw/zinc/65/58/48/436655848.db2.gz HRLFIGROSKFTCT-AWEZNQCLSA-N 1 1 339.399 0.517 50 0 ECAAMO NC(=O)NC(=O)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000137079307 436656458 /nfs/dbraw/zinc/65/64/58/436656458.db2.gz RTFLETQBCDMUTM-CYBMUJFWSA-N 1 1 336.367 0.491 50 0 ECAAMO NC(=O)NC(=O)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000137079307 436656460 /nfs/dbraw/zinc/65/64/60/436656460.db2.gz RTFLETQBCDMUTM-CYBMUJFWSA-N 1 1 336.367 0.491 50 0 ECAAMO O=C(NCCNc1nc(N2CC[C@H](O)C2)cc[nH+]1)c1ccncc1 ZINC000065384006 436657294 /nfs/dbraw/zinc/65/72/94/436657294.db2.gz LDVZYIPSJQETLW-ZDUSSCGKSA-N 1 1 328.376 0.285 50 0 ECAAMO NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000219950330 436697239 /nfs/dbraw/zinc/69/72/39/436697239.db2.gz UXRXBUCWBPOPTJ-LLVKDONJSA-N 1 1 325.796 0.901 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](CCCC(=O)NC(N)=O)C[C@@H]2O ZINC000139139182 436662637 /nfs/dbraw/zinc/66/26/37/436662637.db2.gz MIBMRVALZXCOBK-NSHDSACASA-N 1 1 337.376 0.528 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]2O ZINC000139139182 436662640 /nfs/dbraw/zinc/66/26/40/436662640.db2.gz MIBMRVALZXCOBK-NSHDSACASA-N 1 1 337.376 0.528 50 0 ECAAMO CN1CCN(c2ccc(CNC(=O)NCC[NH+]3CCCC3)cn2)CC1 ZINC000065565555 436667911 /nfs/dbraw/zinc/66/79/11/436667911.db2.gz WJVIMBUWNVQUMD-UHFFFAOYSA-N 1 1 346.479 0.728 50 0 ECAAMO Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CSC[NH2+]1)C(F)(F)F ZINC000153172839 436750063 /nfs/dbraw/zinc/75/00/63/436750063.db2.gz YIMIFOIDONWGOJ-LDYMZIIASA-N 1 1 338.355 0.339 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000241644642 436759001 /nfs/dbraw/zinc/75/90/01/436759001.db2.gz PSJYVRYTPFSSMK-KURKYZTESA-N 1 1 348.443 0.716 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000241644642 436759005 /nfs/dbraw/zinc/75/90/05/436759005.db2.gz PSJYVRYTPFSSMK-KURKYZTESA-N 1 1 348.443 0.716 50 0 ECAAMO CN(CCc1ccccn1)C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000240936846 436759381 /nfs/dbraw/zinc/75/93/81/436759381.db2.gz SETWNHMTXCONRS-HNNXBMFYSA-N 1 1 339.461 0.592 50 0 ECAAMO CN(CCc1ccccn1)C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000240936846 436759383 /nfs/dbraw/zinc/75/93/83/436759383.db2.gz SETWNHMTXCONRS-HNNXBMFYSA-N 1 1 339.461 0.592 50 0 ECAAMO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000245338829 436760452 /nfs/dbraw/zinc/76/04/52/436760452.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 1 1 325.501 0.606 50 0 ECAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000245338829 436760454 /nfs/dbraw/zinc/76/04/54/436760454.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 1 1 325.501 0.606 50 0 ECAAMO CCNc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)[nH+]c(C)n1 ZINC000067613533 436717741 /nfs/dbraw/zinc/71/77/41/436717741.db2.gz MFYMJNCXTHXSJX-UHFFFAOYSA-N 1 1 328.442 0.145 50 0 ECAAMO COc1cccc([C@H](C)[NH+]2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000069558136 436780877 /nfs/dbraw/zinc/78/08/77/436780877.db2.gz IPLNYAHZBSKSHY-QWHCGFSZSA-N 1 1 334.420 0.957 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799776 /nfs/dbraw/zinc/79/97/76/436799776.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 1 1 335.492 0.866 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799779 /nfs/dbraw/zinc/79/97/79/436799779.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 1 1 335.492 0.866 50 0 ECAAMO CN(C)c1ncnc2c1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000253370792 436839731 /nfs/dbraw/zinc/83/97/31/436839731.db2.gz WFWOAGFWRHIQRC-UONOGXRCSA-N 1 1 336.436 0.457 50 0 ECAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000253370792 436839732 /nfs/dbraw/zinc/83/97/32/436839732.db2.gz WFWOAGFWRHIQRC-UONOGXRCSA-N 1 1 336.436 0.457 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C[N@H+]1C1CC1 ZINC000253394465 436842201 /nfs/dbraw/zinc/84/22/01/436842201.db2.gz DZLPVCNTXGZPTA-ZIAGYGMSSA-N 1 1 341.452 0.469 50 0 ECAAMO CCn1ncc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)c1C ZINC000253409633 436843898 /nfs/dbraw/zinc/84/38/98/436843898.db2.gz MDNCBMKQHJFKJX-GOEBONIOSA-N 1 1 344.419 0.224 50 0 ECAAMO CCn1ncc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)c1C ZINC000253409633 436843902 /nfs/dbraw/zinc/84/39/02/436843902.db2.gz MDNCBMKQHJFKJX-GOEBONIOSA-N 1 1 344.419 0.224 50 0 ECAAMO O=C(Cc1ccccc1F)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257183523 436857558 /nfs/dbraw/zinc/85/75/58/436857558.db2.gz HOVNVZRFJXLKGL-WMLDXEAASA-N 1 1 336.407 0.956 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000257176450 436857847 /nfs/dbraw/zinc/85/78/47/436857847.db2.gz SVWAVWVGJXGVJP-SJORKVTESA-N 1 1 345.443 0.531 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2c(OC)cccc2OC)C[C@H]1CO ZINC000257190618 436859046 /nfs/dbraw/zinc/85/90/46/436859046.db2.gz NCJVJAFLUQETJU-GXTWGEPZSA-N 1 1 338.404 0.259 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2c(OC)cccc2OC)C[C@H]1CO ZINC000257190618 436859051 /nfs/dbraw/zinc/85/90/51/436859051.db2.gz NCJVJAFLUQETJU-GXTWGEPZSA-N 1 1 338.404 0.259 50 0 ECAAMO CN(C)C1=NC2(CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C(=O)N1 ZINC000252482353 436834498 /nfs/dbraw/zinc/83/44/98/436834498.db2.gz DDSBPKLUZHCVPS-UHFFFAOYSA-N 1 1 347.394 0.646 50 0 ECAAMO COC(=O)c1ncsc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000261646328 436880532 /nfs/dbraw/zinc/88/05/32/436880532.db2.gz HBNLQZNZKILNBI-GFCCVEGCSA-N 1 1 333.435 0.598 50 0 ECAAMO CS(=O)(=O)NCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173817836 437066961 /nfs/dbraw/zinc/06/69/61/437066961.db2.gz SQBQNLYAMZLTIM-HNNXBMFYSA-N 1 1 339.461 0.707 50 0 ECAAMO COc1cccc(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000175733545 437115650 /nfs/dbraw/zinc/11/56/50/437115650.db2.gz OTCIQZNUANSTFT-DZGCQCFKSA-N 1 1 334.420 0.952 50 0 ECAAMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CCc2ccccn2)CC1=O ZINC000354129987 437538274 /nfs/dbraw/zinc/53/82/74/437538274.db2.gz HLCHQGMTGSGWDW-MRXNPFEDSA-N 1 1 348.447 0.310 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)NCCc1ccncc1)CC2 ZINC000426530848 438064934 /nfs/dbraw/zinc/06/49/34/438064934.db2.gz OEQKRDYWMYWWQD-UHFFFAOYSA-N 1 1 345.447 0.620 50 0 ECAAMO O=C(c1ccc2c(c1)CCCO2)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426634144 438067239 /nfs/dbraw/zinc/06/72/39/438067239.db2.gz HOHHSDNCNXPUMJ-IRXDYDNUSA-N 1 1 346.427 0.919 50 0 ECAAMO O=C(c1ccc2c(c1)CCCO2)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426634144 438067242 /nfs/dbraw/zinc/06/72/42/438067242.db2.gz HOHHSDNCNXPUMJ-IRXDYDNUSA-N 1 1 346.427 0.919 50 0 ECAAMO CCCCCC[C@](O)(C[N@@H+]1CCO[C@@H](C(=O)NC)C1)C(=O)OC ZINC000408524440 438582283 /nfs/dbraw/zinc/58/22/83/438582283.db2.gz UNIDRNMTXXGWIT-CJNGLKHVSA-N 1 1 330.425 0.308 50 0 ECAAMO CCCCCC[C@](O)(C[N@H+]1CCO[C@@H](C(=O)NC)C1)C(=O)OC ZINC000408524440 438582286 /nfs/dbraw/zinc/58/22/86/438582286.db2.gz UNIDRNMTXXGWIT-CJNGLKHVSA-N 1 1 330.425 0.308 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)o1 ZINC000084258850 545710152 /nfs/dbraw/zinc/71/01/52/545710152.db2.gz INHMGBILXPIHLO-HNNXBMFYSA-N 1 1 336.436 0.738 50 0 ECAAMO COc1ncnc(N)c1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000085300649 545714419 /nfs/dbraw/zinc/71/44/19/545714419.db2.gz ILVKRFDPFGWHNZ-UHFFFAOYSA-N 1 1 325.376 0.997 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2onc3c2CCCC3)C1 ZINC000667939209 547571945 /nfs/dbraw/zinc/57/19/45/547571945.db2.gz BHJFCFFLNRXBLV-GFCCVEGCSA-N 1 1 334.420 0.871 50 0 ECAAMO CN(C)C(=O)CC[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000670454156 548014514 /nfs/dbraw/zinc/01/45/14/548014514.db2.gz WGMSXKKMVMDZOZ-AWEZNQCLSA-N 1 1 333.498 0.848 50 0 ECAAMO O=C(CC[N@H+]1C[C@@H](O)[C@@H](O)[C@@H](O)C1)Nc1cc(Cl)ccc1Cl ZINC000888101200 586350253 /nfs/dbraw/zinc/35/02/53/586350253.db2.gz QUXHTZYDRMZCCZ-DABQJJPHSA-N 1 1 349.214 0.720 50 0 ECAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159839552 611466302 /nfs/dbraw/zinc/46/63/02/611466302.db2.gz WGXUBWFDPQGTEI-AWEZNQCLSA-N 1 1 344.463 0.972 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@@H](c2cccnc2)C(F)(F)F)C1 ZINC000952967601 612139293 /nfs/dbraw/zinc/13/92/93/612139293.db2.gz IEVFYDNQUNODQS-AAEUAGOBSA-N 1 1 344.337 0.999 50 0 ECAAMO CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000952977321 612139695 /nfs/dbraw/zinc/13/96/95/612139695.db2.gz PUULMUHYEKKIAG-AWEZNQCLSA-N 1 1 346.431 0.961 50 0 ECAAMO Cc1n[nH]nc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000194251558 612158687 /nfs/dbraw/zinc/15/86/87/612158687.db2.gz VCGIZCWGNYJMEA-UHFFFAOYSA-N 1 1 342.403 0.682 50 0 ECAAMO Cc1ccccc1[C@H](CNC(=O)CN1CCC(C(N)=O)CC1)[NH+](C)C ZINC000091547892 612875980 /nfs/dbraw/zinc/87/59/80/612875980.db2.gz NYSZJQUOBNCATR-KRWDZBQOSA-N 1 1 346.475 0.911 50 0 ECAAMO CSCc1noc(C[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091707741 612910694 /nfs/dbraw/zinc/91/06/94/612910694.db2.gz CJPBJGAMWFZLHL-HNNXBMFYSA-N 1 1 340.449 0.739 50 0 ECAAMO CSCc1noc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091707741 612910695 /nfs/dbraw/zinc/91/06/95/612910695.db2.gz CJPBJGAMWFZLHL-HNNXBMFYSA-N 1 1 340.449 0.739 50 0 ECAAMO CC(C)Cc1noc(CN(C)C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000055053564 214267408 /nfs/dbraw/zinc/26/74/08/214267408.db2.gz PUJMAEZOEXEKJS-LBPRGKRZSA-N 1 1 337.424 0.424 50 0 ECAAMO Cc1nn(C)c(C)c1CN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)C1CC1 ZINC000055340964 214309030 /nfs/dbraw/zinc/30/90/30/214309030.db2.gz VXLONHSPSRXMBV-AWEZNQCLSA-N 1 1 347.463 0.725 50 0 ECAAMO CCNc1cc(NCCNC(=O)COc2ncccn2)[nH+]c(C)n1 ZINC000056907002 214394201 /nfs/dbraw/zinc/39/42/01/214394201.db2.gz QNQXUJLXFVCBNF-UHFFFAOYSA-N 1 1 331.380 0.614 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000102528453 219208850 /nfs/dbraw/zinc/20/88/50/219208850.db2.gz HKHWKVOVNGZMRW-GJZGRUSLSA-N 1 1 329.400 0.554 50 0 ECAAMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000067515486 215156664 /nfs/dbraw/zinc/15/66/64/215156664.db2.gz KKUZYEAMZHIWTM-KGLIPLIRSA-N 1 1 342.403 0.538 50 0 ECAAMO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[N@H+]1CCNC(=O)CC1 ZINC000067817047 215220205 /nfs/dbraw/zinc/22/02/05/215220205.db2.gz IEUZXAAEAHSAQP-GOSISDBHSA-N 1 1 349.406 0.501 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CCNC(=O)c2cccc3nnnn32)C1 ZINC000067804428 215216747 /nfs/dbraw/zinc/21/67/47/215216747.db2.gz AQAMKEDCOPTSCZ-ZDUSSCGKSA-N 1 1 332.408 0.601 50 0 ECAAMO Cc1nnc(SCC(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)[nH]1 ZINC000067871610 215236748 /nfs/dbraw/zinc/23/67/48/215236748.db2.gz JFIXDEKCBPTPSU-UHFFFAOYSA-N 1 1 338.481 0.444 50 0 ECAAMO O=C(Cc1ccc(O)c(Cl)c1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067966282 215262928 /nfs/dbraw/zinc/26/29/28/215262928.db2.gz VNIIHKDOJCYQRK-UHFFFAOYSA-N 1 1 337.807 0.669 50 0 ECAAMO COC(=O)C1=NO[C@@H](C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000068389449 215304520 /nfs/dbraw/zinc/30/45/20/215304520.db2.gz CQMNTTYGMFVRPQ-GXTWGEPZSA-N 1 1 341.408 0.167 50 0 ECAAMO CC(C)c1noc(CCNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000069123435 215360376 /nfs/dbraw/zinc/36/03/76/215360376.db2.gz ORKTWTRXECALTQ-CYBMUJFWSA-N 1 1 338.456 0.671 50 0 ECAAMO CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000040534878 213340018 /nfs/dbraw/zinc/34/00/18/213340018.db2.gz GIVUSPMWCIWXJP-ZIAGYGMSSA-N 1 1 329.466 0.401 50 0 ECAAMO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C(N)=O ZINC000040528208 213337138 /nfs/dbraw/zinc/33/71/38/213337138.db2.gz HOIJGXVKVFBWTB-VXGBXAGGSA-N 1 1 326.422 0.029 50 0 ECAAMO COc1ccc(OC)c(N2C[C@@H](C(=O)N3CC[NH+](C)CC3)CC2=O)c1 ZINC000038668074 213219524 /nfs/dbraw/zinc/21/95/24/213219524.db2.gz QGLFUKADWOEVQR-ZDUSSCGKSA-N 1 1 347.415 0.831 50 0 ECAAMO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)C1 ZINC000072131744 216021131 /nfs/dbraw/zinc/02/11/31/216021131.db2.gz YMGMGAPJMATCLI-GOSISDBHSA-N 1 1 347.463 0.843 50 0 ECAAMO COc1cccc(SCC(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)c1 ZINC000072154981 216044499 /nfs/dbraw/zinc/04/44/99/216044499.db2.gz DJRLSSHPBCUDJJ-HNNXBMFYSA-N 1 1 349.456 0.866 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000000048970 209389347 /nfs/dbraw/zinc/38/93/47/209389347.db2.gz IRFIEDFDGHQUJP-AWEZNQCLSA-N 1 1 331.372 0.524 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n1 ZINC000072431500 216223574 /nfs/dbraw/zinc/22/35/74/216223574.db2.gz DQTGWJHPSSSFHC-UONOGXRCSA-N 1 1 348.451 0.234 50 0 ECAAMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072481516 216261696 /nfs/dbraw/zinc/26/16/96/216261696.db2.gz PKNBAHYGHYBYHE-INIZCTEOSA-N 1 1 328.416 0.370 50 0 ECAAMO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000022593026 212309035 /nfs/dbraw/zinc/30/90/35/212309035.db2.gz VWFXURSKTSDKTC-WBVHZDCISA-N 1 1 347.459 0.711 50 0 ECAAMO C[C@@H]1C[N@@H+](CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 ZINC000022612002 212311231 /nfs/dbraw/zinc/31/12/31/212311231.db2.gz VNGLUPVOQRJPGH-BETUJISGSA-N 1 1 344.415 0.691 50 0 ECAAMO C[C@@H]1C[N@H+](CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 ZINC000022612002 212311233 /nfs/dbraw/zinc/31/12/33/212311233.db2.gz VNGLUPVOQRJPGH-BETUJISGSA-N 1 1 344.415 0.691 50 0 ECAAMO C[C@@H]1C[C@@H](N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C(=O)O1 ZINC000229553429 242175666 /nfs/dbraw/zinc/17/56/66/242175666.db2.gz DMEVZCNXLFYBCC-BFYDXBDKSA-N 1 1 334.416 0.748 50 0 ECAAMO CC(=O)Nc1ccccc1NC(=O)C[N@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000244594034 243042466 /nfs/dbraw/zinc/04/24/66/243042466.db2.gz DFKIGAAVNGDKPK-RMHZUWNSSA-N 1 1 347.415 0.647 50 0 ECAAMO CC(=O)Nc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000244594034 243042469 /nfs/dbraw/zinc/04/24/69/243042469.db2.gz DFKIGAAVNGDKPK-RMHZUWNSSA-N 1 1 347.415 0.647 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)NCCN1CCNC1=O)c1ccc2c(c1)OCO2 ZINC000244787659 243081573 /nfs/dbraw/zinc/08/15/73/243081573.db2.gz QBBSMXJKGBNUDI-CQSZACIVSA-N 1 1 334.376 0.159 50 0 ECAAMO OCCN1CC[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020682960 212161364 /nfs/dbraw/zinc/16/13/64/212161364.db2.gz XCQKDFUJYKNCBV-NNGLDNROSA-N 1 1 338.492 0.943 50 0 ECAAMO OCC[NH+]1CCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020682960 212161369 /nfs/dbraw/zinc/16/13/69/212161369.db2.gz XCQKDFUJYKNCBV-NNGLDNROSA-N 1 1 338.492 0.943 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246646225 243286390 /nfs/dbraw/zinc/28/63/90/243286390.db2.gz IJRAFSXFCXZQOO-PMPSAXMXSA-N 1 1 325.453 0.324 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246646225 243286395 /nfs/dbraw/zinc/28/63/95/243286395.db2.gz IJRAFSXFCXZQOO-PMPSAXMXSA-N 1 1 325.453 0.324 50 0 ECAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCO)CC3)C2=O)c(C)c1 ZINC000020356996 212122948 /nfs/dbraw/zinc/12/29/48/212122948.db2.gz QSKKTJBFJKSMHY-INIZCTEOSA-N 1 1 331.416 0.545 50 0 ECAAMO C[C@]1(C(=O)NCCC[NH+]2CCOCC2)Oc2ccccc2NC1=O ZINC000020366305 212122794 /nfs/dbraw/zinc/12/27/94/212122794.db2.gz SRQZKUALJSIHQC-QGZVFWFLSA-N 1 1 333.388 0.615 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2CCOCC2)cc1 ZINC000020051310 212097913 /nfs/dbraw/zinc/09/79/13/212097913.db2.gz ANBKAYCWVNUTJM-UHFFFAOYSA-N 1 1 347.459 0.971 50 0 ECAAMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019849755 212076088 /nfs/dbraw/zinc/07/60/88/212076088.db2.gz LBXZAXREGXQDSH-UHFFFAOYSA-N 1 1 325.434 0.390 50 0 ECAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1C ZINC000019811804 212071008 /nfs/dbraw/zinc/07/10/08/212071008.db2.gz QQKFYXZBROTZTH-UHFFFAOYSA-N 1 1 339.461 0.843 50 0 ECAAMO OCC[NH+]1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019367354 212022267 /nfs/dbraw/zinc/02/22/67/212022267.db2.gz LJHZZYGODNYHLD-INIZCTEOSA-N 1 1 328.840 0.827 50 0 ECAAMO CC(=O)N[C@H](CC(=O)N1CC[NH+](CCO)CC1)c1cccs1 ZINC000078241545 217032820 /nfs/dbraw/zinc/03/28/20/217032820.db2.gz OWQXCDMJDHTIPH-CYBMUJFWSA-N 1 1 325.434 0.452 50 0 ECAAMO COC(=O)c1ccc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000078924648 217148334 /nfs/dbraw/zinc/14/83/34/217148334.db2.gz XFCDUKMOGWHZNC-MRXNPFEDSA-N 1 1 348.447 0.561 50 0 ECAAMO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1cccs1 ZINC000012391979 211367666 /nfs/dbraw/zinc/36/76/66/211367666.db2.gz WAHRQWIOTVAUNZ-VXGBXAGGSA-N 1 1 337.401 0.787 50 0 ECAAMO COCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000091416740 218002012 /nfs/dbraw/zinc/00/20/12/218002012.db2.gz DHKPPVYBBZAEOR-ZIAGYGMSSA-N 1 1 338.404 0.439 50 0 ECAAMO Cc1ccc([C@H]2C[N@@H+](CCO)C[C@@H]2NC(=O)CN2CCCCC2=O)o1 ZINC000091474517 218012527 /nfs/dbraw/zinc/01/25/27/218012527.db2.gz CPYIUQINYCUUSW-GJZGRUSLSA-N 1 1 349.431 0.477 50 0 ECAAMO O=C(NCCc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091526556 218018047 /nfs/dbraw/zinc/01/80/47/218018047.db2.gz SZQWSPKEBJIJHC-QZTJIDSGSA-N 1 1 347.459 0.811 50 0 ECAAMO COc1ccccc1CCNC(=O)C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091562793 218022482 /nfs/dbraw/zinc/02/24/82/218022482.db2.gz QJWBUTCZPKAGDM-CALCHBBNSA-N 1 1 348.443 0.562 50 0 ECAAMO COc1ccc(F)c(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1 ZINC000091847006 218076095 /nfs/dbraw/zinc/07/60/95/218076095.db2.gz FSGAXLCWIPQBQW-HUUCEWRRSA-N 1 1 326.412 0.799 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@@H]1CO ZINC000091877256 218082930 /nfs/dbraw/zinc/08/29/30/218082930.db2.gz QPVQVWIWLWNBDU-HUUCEWRRSA-N 1 1 340.851 0.874 50 0 ECAAMO Cc1nc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cs1 ZINC000091895004 218085867 /nfs/dbraw/zinc/08/58/67/218085867.db2.gz BOXRLDVPCUFVSZ-ZIAGYGMSSA-N 1 1 338.477 0.379 50 0 ECAAMO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)cn1 ZINC000092021005 218104309 /nfs/dbraw/zinc/10/43/09/218104309.db2.gz JJEWUPWAACYVNV-DZGCQCFKSA-N 1 1 345.447 0.664 50 0 ECAAMO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC000092021005 218104312 /nfs/dbraw/zinc/10/43/12/218104312.db2.gz JJEWUPWAACYVNV-DZGCQCFKSA-N 1 1 345.447 0.664 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)C[C@@H]1CO ZINC000092061971 218111864 /nfs/dbraw/zinc/11/18/64/218111864.db2.gz XCOZIGOGLIIPRS-HZPDHXFCSA-N 1 1 336.432 0.695 50 0 ECAAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000093415729 218225297 /nfs/dbraw/zinc/22/52/97/218225297.db2.gz BXEIWGZUDVTPRM-HNNXBMFYSA-N 1 1 333.388 0.258 50 0 ECAAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000095367189 218299146 /nfs/dbraw/zinc/29/91/46/218299146.db2.gz ONUYGVMSMJNFAM-GFCCVEGCSA-N 1 1 339.407 0.816 50 0 ECAAMO O=C(NCCSc1c[nH]nn1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372673 218304852 /nfs/dbraw/zinc/30/48/52/218304852.db2.gz UPIWGAMOIYAVQL-LBPRGKRZSA-N 1 1 339.465 0.904 50 0 ECAAMO O=C(NCCSc1cn[nH]n1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095372673 218304855 /nfs/dbraw/zinc/30/48/55/218304855.db2.gz UPIWGAMOIYAVQL-LBPRGKRZSA-N 1 1 339.465 0.904 50 0 ECAAMO O=C(NCCSc1cn[nH]n1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372673 218304858 /nfs/dbraw/zinc/30/48/58/218304858.db2.gz UPIWGAMOIYAVQL-LBPRGKRZSA-N 1 1 339.465 0.904 50 0 ECAAMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000095427793 218370175 /nfs/dbraw/zinc/37/01/75/218370175.db2.gz WGDMJFBIOZPYOD-LLVKDONJSA-N 1 1 336.358 0.887 50 0 ECAAMO CC[N@H+]1CCCN(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000095427794 218370303 /nfs/dbraw/zinc/37/03/03/218370303.db2.gz WGDMJFBIOZPYOD-NSHDSACASA-N 1 1 336.358 0.887 50 0 ECAAMO CN1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000095954283 218461638 /nfs/dbraw/zinc/46/16/38/218461638.db2.gz MWDWDJCIODDGTC-MRXNPFEDSA-N 1 1 331.416 0.613 50 0 ECAAMO Cc1cc(C[N@@H+]2CCN(C(=O)C[NH2+]C3CC3)C[C@@H](C(=O)[O-])C2)on1 ZINC000097334359 219012725 /nfs/dbraw/zinc/01/27/25/219012725.db2.gz KMOIDSBGJFRFPV-LBPRGKRZSA-N 1 1 336.392 0.080 50 0 ECAAMO Cc1cc(C[N@H+]2CCN(C(=O)C[NH2+]C3CC3)C[C@@H](C(=O)[O-])C2)on1 ZINC000097334359 219012727 /nfs/dbraw/zinc/01/27/27/219012727.db2.gz KMOIDSBGJFRFPV-LBPRGKRZSA-N 1 1 336.392 0.080 50 0 ECAAMO CN(CC(=O)NC[C@H]1Cc2ccccc2CN1C)C1CC[NH2+]CC1 ZINC000299760951 258077663 /nfs/dbraw/zinc/07/76/63/258077663.db2.gz SDMYRNUNWKXXRI-GOSISDBHSA-N 1 1 330.476 0.843 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCCC(=O)N3)C2=O)cc1 ZINC000113563239 277417376 /nfs/dbraw/zinc/41/73/76/277417376.db2.gz VECQTKGCLGWAIX-KBPBESRZSA-N 1 1 331.372 0.933 50 0 ECAAMO CCS(=O)(=O)NCC[NH2+][C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000058393646 280026872 /nfs/dbraw/zinc/02/68/72/280026872.db2.gz STYBFDVGQRKGCO-HNNXBMFYSA-N 1 1 339.461 0.879 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCCN(C(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106771452 280144739 /nfs/dbraw/zinc/14/47/39/280144739.db2.gz XEXIPXZFUHISOR-RBSFLKMASA-N 1 1 340.468 0.733 50 0 ECAAMO Cc1cccc2ncc(C(=O)N[C@H]3C[C@H]4CN(C)CC[N@H+]4C3)c(=O)n12 ZINC000067935046 281320670 /nfs/dbraw/zinc/32/06/70/281320670.db2.gz VOYHEJHGZKFSLT-KBPBESRZSA-N 1 1 341.415 0.121 50 0 ECAAMO Cc1cccc2ncc(C(=O)N[C@H]3C[C@H]4C[N@H+](C)CCN4C3)c(=O)n12 ZINC000067935046 281320672 /nfs/dbraw/zinc/32/06/72/281320672.db2.gz VOYHEJHGZKFSLT-KBPBESRZSA-N 1 1 341.415 0.121 50 0 ECAAMO Cc1cccc2ncc(C(=O)N[C@H]3C[C@H]4C[N@@H+](C)CCN4C3)c(=O)n12 ZINC000067935046 281320673 /nfs/dbraw/zinc/32/06/73/281320673.db2.gz VOYHEJHGZKFSLT-KBPBESRZSA-N 1 1 341.415 0.121 50 0 ECAAMO C[C@@](O)(C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397019 289117923 /nfs/dbraw/zinc/11/79/23/289117923.db2.gz TUTWBPRLMNMWNB-GHMZBOCLSA-N 1 1 330.372 0.800 50 0 ECAAMO C[C@@](O)(C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397019 289117926 /nfs/dbraw/zinc/11/79/26/289117926.db2.gz TUTWBPRLMNMWNB-GHMZBOCLSA-N 1 1 330.372 0.800 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000069848106 435972435 /nfs/dbraw/zinc/97/24/35/435972435.db2.gz QMCQCKLMGZOMEF-IUODEOHRSA-N 1 1 339.436 0.937 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000069925546 435977234 /nfs/dbraw/zinc/97/72/34/435977234.db2.gz SPLZPKWDLMTWOW-ZDUSSCGKSA-N 1 1 340.449 0.645 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCS(=O)(=O)N(C)C)C2)n1 ZINC000070004103 435982418 /nfs/dbraw/zinc/98/24/18/435982418.db2.gz BPPLFKZICXXZDI-HNNXBMFYSA-N 1 1 343.497 0.888 50 0 ECAAMO Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000069600490 435950804 /nfs/dbraw/zinc/95/08/04/435950804.db2.gz LQDCQIBMIMXUGD-DOTOQJQBSA-N 1 1 344.459 0.710 50 0 ECAAMO CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069632260 435953593 /nfs/dbraw/zinc/95/35/93/435953593.db2.gz XMHCLWMKXFPGPJ-HRCADAONSA-N 1 1 328.453 0.732 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000069652283 435954638 /nfs/dbraw/zinc/95/46/38/435954638.db2.gz URJNAQPBQCLAQX-OAHLLOKOSA-N 1 1 335.448 0.352 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000071875864 436022352 /nfs/dbraw/zinc/02/23/52/436022352.db2.gz KJBJDOPXJSOAIB-GOEBONIOSA-N 1 1 347.463 0.768 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877128 436025514 /nfs/dbraw/zinc/02/55/14/436025514.db2.gz YHRAHFTZQUDUKJ-LPHOPBHVSA-N 1 1 333.476 0.404 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877128 436025516 /nfs/dbraw/zinc/02/55/16/436025516.db2.gz YHRAHFTZQUDUKJ-LPHOPBHVSA-N 1 1 333.476 0.404 50 0 ECAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC000008395502 436027370 /nfs/dbraw/zinc/02/73/70/436027370.db2.gz AHTLBZGKDDPRKX-UONOGXRCSA-N 1 1 339.388 0.678 50 0 ECAAMO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)O ZINC000071896980 436028672 /nfs/dbraw/zinc/02/86/72/436028672.db2.gz CQAPVAWQFWLHIL-UHFFFAOYSA-N 1 1 329.441 0.768 50 0 ECAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOC)n(C)c1=O ZINC000008704292 436030575 /nfs/dbraw/zinc/03/05/75/436030575.db2.gz OMSYFRJJZVPTRH-AATRIKPKSA-N 1 1 346.391 0.315 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(CO)o2)C[C@@H](C)O1 ZINC000071921704 436031017 /nfs/dbraw/zinc/03/10/17/436031017.db2.gz AECHNXASKNPIMK-VXGBXAGGSA-N 1 1 332.422 0.301 50 0 ECAAMO C[C@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000072290752 436042640 /nfs/dbraw/zinc/04/26/40/436042640.db2.gz AFBKMQQKKQIQTL-KZULUSFZSA-N 1 1 342.399 0.244 50 0 ECAAMO C[C@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000072290752 436042644 /nfs/dbraw/zinc/04/26/44/436042644.db2.gz AFBKMQQKKQIQTL-KZULUSFZSA-N 1 1 342.399 0.244 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)nc12 ZINC000074316712 436121509 /nfs/dbraw/zinc/12/15/09/436121509.db2.gz YMASGUOPDQQOJR-ZDUSSCGKSA-N 1 1 336.417 0.256 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)nc12 ZINC000074316712 436121512 /nfs/dbraw/zinc/12/15/12/436121512.db2.gz YMASGUOPDQQOJR-ZDUSSCGKSA-N 1 1 336.417 0.256 50 0 ECAAMO CN(C)Cc1nnc([C@H]2CCCN(C(=O)N3CC[NH+](C)CC3)C2)n1C ZINC000077419314 436236369 /nfs/dbraw/zinc/23/63/69/436236369.db2.gz WWVLXYCOMKJPHE-AWEZNQCLSA-N 1 1 349.483 0.424 50 0 ECAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000076058615 436188863 /nfs/dbraw/zinc/18/88/63/436188863.db2.gz QIQVNGYKTDDWFI-SMDDNHRTSA-N 1 1 325.434 0.712 50 0 ECAAMO CC[N@@H+]1CCc2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)sc2C1 ZINC000030560570 436218869 /nfs/dbraw/zinc/21/88/69/436218869.db2.gz OIMJAEMSZCMSPQ-UHFFFAOYSA-N 1 1 349.416 0.020 50 0 ECAAMO CC[N@H+]1CCc2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)sc2C1 ZINC000030560570 436218871 /nfs/dbraw/zinc/21/88/71/436218871.db2.gz OIMJAEMSZCMSPQ-UHFFFAOYSA-N 1 1 349.416 0.020 50 0 ECAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000032860190 436244555 /nfs/dbraw/zinc/24/45/55/436244555.db2.gz VLCGQHOQFYWAID-TXEJJXNPSA-N 1 1 341.433 0.772 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@H+](CC)Cc2cccs2)c(=O)[nH]c1=O ZINC000044869527 436350952 /nfs/dbraw/zinc/35/09/52/436350952.db2.gz VASLSAJQDGWOBN-UHFFFAOYSA-N 1 1 336.417 0.905 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@@H+](CC)Cc2cccs2)c(=O)[nH]c1=O ZINC000044869527 436350955 /nfs/dbraw/zinc/35/09/55/436350955.db2.gz VASLSAJQDGWOBN-UHFFFAOYSA-N 1 1 336.417 0.905 50 0 ECAAMO O=C([C@H]1CNCCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082087601 436361137 /nfs/dbraw/zinc/36/11/37/436361137.db2.gz JOSCEADPMRVDJE-GOSISDBHSA-N 1 1 329.444 0.677 50 0 ECAAMO O=C([C@H]1CNCCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082087601 436361138 /nfs/dbraw/zinc/36/11/38/436361138.db2.gz JOSCEADPMRVDJE-GOSISDBHSA-N 1 1 329.444 0.677 50 0 ECAAMO CC[C@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735912 436383316 /nfs/dbraw/zinc/38/33/16/436383316.db2.gz NTTOAHSAIXTJQM-KBPBESRZSA-N 1 1 344.419 0.236 50 0 ECAAMO C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000048160587 436441760 /nfs/dbraw/zinc/44/17/60/436441760.db2.gz ACBUQXAADMBHGT-AWEZNQCLSA-N 1 1 325.434 0.441 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000048160587 436441763 /nfs/dbraw/zinc/44/17/63/436441763.db2.gz ACBUQXAADMBHGT-AWEZNQCLSA-N 1 1 325.434 0.441 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CC1 ZINC000048429041 436452647 /nfs/dbraw/zinc/45/26/47/436452647.db2.gz RYVPQIQVSCWFQS-CQSZACIVSA-N 1 1 349.497 0.131 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)n1C ZINC000089736026 436415391 /nfs/dbraw/zinc/41/53/91/436415391.db2.gz HVHQSELFEMDANZ-MRXNPFEDSA-N 1 1 342.447 0.929 50 0 ECAAMO Cc1nc(C)n(CC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)n1 ZINC000096148467 436516164 /nfs/dbraw/zinc/51/61/64/436516164.db2.gz IMYVTKAWWUVUGH-UHFFFAOYSA-N 1 1 341.423 0.820 50 0 ECAAMO CC[NH+]1CCN(C[C@@H]2CN(c3ncnc4nc[nH]c43)C[C@@H]2CO)CC1 ZINC000095363868 436491378 /nfs/dbraw/zinc/49/13/78/436491378.db2.gz WQIVZYJOTJPAKV-ZIAGYGMSSA-N 1 1 345.451 0.035 50 0 ECAAMO C[N@H+](CCc1cnccn1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000095458261 436495106 /nfs/dbraw/zinc/49/51/06/436495106.db2.gz SRQCTCAYDFQRLS-UHFFFAOYSA-N 1 1 334.420 0.753 50 0 ECAAMO C[N@@H+](CCc1cnccn1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000095458261 436495109 /nfs/dbraw/zinc/49/51/09/436495109.db2.gz SRQCTCAYDFQRLS-UHFFFAOYSA-N 1 1 334.420 0.753 50 0 ECAAMO CC(=O)N1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@@H](O)C1 ZINC000097634929 436544331 /nfs/dbraw/zinc/54/43/31/436544331.db2.gz PYEUGBQMRMGMAK-GOSISDBHSA-N 1 1 328.416 0.956 50 0 ECAAMO C[N@@H+]1CCC[C@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058412104 436625214 /nfs/dbraw/zinc/62/52/14/436625214.db2.gz JSVWBCHRSOKCIR-NSHDSACASA-N 1 1 336.417 0.562 50 0 ECAAMO C[N@H+]1CCC[C@H]1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058412104 436625216 /nfs/dbraw/zinc/62/52/16/436625216.db2.gz JSVWBCHRSOKCIR-NSHDSACASA-N 1 1 336.417 0.562 50 0 ECAAMO C[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000106078775 436589553 /nfs/dbraw/zinc/58/95/53/436589553.db2.gz FKZZCVBHCPYZIY-MCIONIFRSA-N 1 1 331.482 0.647 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000106868184 436603673 /nfs/dbraw/zinc/60/36/73/436603673.db2.gz NPTUHYSNTHKNOR-UONOGXRCSA-N 1 1 348.426 0.997 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000107140670 436608435 /nfs/dbraw/zinc/60/84/35/436608435.db2.gz MBQDEDYICZTASK-TZMCWYRMSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000107140670 436608436 /nfs/dbraw/zinc/60/84/36/436608436.db2.gz MBQDEDYICZTASK-TZMCWYRMSA-N 1 1 337.424 0.131 50 0 ECAAMO COCCN1CC[C@@]2(CN(c3ncccn3)CC[N@H+]2C)CCC1=O ZINC000107645405 436613081 /nfs/dbraw/zinc/61/30/81/436613081.db2.gz NUPRZVDNVLFCHB-QGZVFWFLSA-N 1 1 333.436 0.626 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000058163304 436620312 /nfs/dbraw/zinc/62/03/12/436620312.db2.gz OXZPJTAXYCVYSG-VXGBXAGGSA-N 1 1 334.420 0.834 50 0 ECAAMO C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(C(N)=O)CC3)C[C@@](C)(C1)C2 ZINC000065382605 436655453 /nfs/dbraw/zinc/65/54/53/436655453.db2.gz NRLQWYMLNDNZCP-HDICACEKSA-N 1 1 336.480 0.374 50 0 ECAAMO C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(C(N)=O)CC3)C[C@@](C)(C1)C2 ZINC000065382605 436655455 /nfs/dbraw/zinc/65/54/55/436655455.db2.gz NRLQWYMLNDNZCP-HDICACEKSA-N 1 1 336.480 0.374 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1S(=O)(=O)CCc1ccncc1 ZINC000065371597 436655566 /nfs/dbraw/zinc/65/55/66/436655566.db2.gz ZAKPCLIKCZUTDD-KGLIPLIRSA-N 1 1 341.433 0.131 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000065404895 436656984 /nfs/dbraw/zinc/65/69/84/436656984.db2.gz PJLCMVLMSWVPHC-CYBMUJFWSA-N 1 1 343.391 0.404 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000065404895 436656988 /nfs/dbraw/zinc/65/69/88/436656988.db2.gz PJLCMVLMSWVPHC-CYBMUJFWSA-N 1 1 343.391 0.404 50 0 ECAAMO NC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000219950405 436698033 /nfs/dbraw/zinc/69/80/33/436698033.db2.gz UXRXBUCWBPOPTJ-NSHDSACASA-N 1 1 325.796 0.901 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)c1cc(-n2cnnn2)ccc1O ZINC000220151727 436698548 /nfs/dbraw/zinc/69/85/48/436698548.db2.gz MCCMZLPYYWGYNI-UHFFFAOYSA-N 1 1 327.348 0.557 50 0 ECAAMO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000221771450 436700837 /nfs/dbraw/zinc/70/08/37/436700837.db2.gz OQNLCHPTPWWJAG-QDEZUTFSSA-N 1 1 326.437 0.878 50 0 ECAAMO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000221771450 436700841 /nfs/dbraw/zinc/70/08/41/436700841.db2.gz OQNLCHPTPWWJAG-QDEZUTFSSA-N 1 1 326.437 0.878 50 0 ECAAMO CN(C)c1cncc(O[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225407071 436709430 /nfs/dbraw/zinc/70/94/30/436709430.db2.gz TVUJHUMSDUHULL-CYBMUJFWSA-N 1 1 334.424 0.363 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000225420069 436710847 /nfs/dbraw/zinc/71/08/47/436710847.db2.gz SLHRFGQHMUGZPD-CLWVCHIJSA-N 1 1 334.416 0.690 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000225420069 436710851 /nfs/dbraw/zinc/71/08/51/436710851.db2.gz SLHRFGQHMUGZPD-CLWVCHIJSA-N 1 1 334.416 0.690 50 0 ECAAMO COc1nccnc1O[C@@H]1CCCN(C(=O)N2CC[NH+](C)CC2)C1 ZINC000225496306 436712074 /nfs/dbraw/zinc/71/20/74/436712074.db2.gz UCYZDDZXTORJJE-CYBMUJFWSA-N 1 1 335.408 0.696 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000065474712 436662482 /nfs/dbraw/zinc/66/24/82/436662482.db2.gz QNNQDVZEUGWUMK-DOTOQJQBSA-N 1 1 346.431 0.154 50 0 ECAAMO COCCNC(=O)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065548447 436666924 /nfs/dbraw/zinc/66/69/24/436666924.db2.gz ZNPFMVBZZREGKR-MRXNPFEDSA-N 1 1 333.432 0.920 50 0 ECAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)N(CCO)C3CC3)cn2)CC1 ZINC000065606388 436669688 /nfs/dbraw/zinc/66/96/88/436669688.db2.gz HWZFRTPRNNBVGD-UHFFFAOYSA-N 1 1 347.463 0.890 50 0 ECAAMO CC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000067895714 436727911 /nfs/dbraw/zinc/72/79/11/436727911.db2.gz PJTQVRLKZWYQKH-LLVKDONJSA-N 1 1 326.422 0.797 50 0 ECAAMO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1COCC[NH2+]1 ZINC000238117710 436754191 /nfs/dbraw/zinc/75/41/91/436754191.db2.gz ACMYVRSMVMRVIK-MWLCHTKSSA-N 1 1 349.214 0.838 50 0 ECAAMO CC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000229711001 436717244 /nfs/dbraw/zinc/71/72/44/436717244.db2.gz RFUVTMZOXQQDNN-QEJZJMRPSA-N 1 1 329.466 0.496 50 0 ECAAMO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1CCO ZINC000249507028 436821815 /nfs/dbraw/zinc/82/18/15/436821815.db2.gz LEMNAYYOEKEORE-GOEBONIOSA-N 1 1 325.453 0.155 50 0 ECAAMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247083720 436788250 /nfs/dbraw/zinc/78/82/50/436788250.db2.gz HDPCYWDBLCRHMV-JKSUJKDBSA-N 1 1 335.452 0.070 50 0 ECAAMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)C(=O)N1CCCC1 ZINC000248254935 436800439 /nfs/dbraw/zinc/80/04/39/436800439.db2.gz NXKBZEJLOCFUAX-RRFJBIMHSA-N 1 1 343.493 0.238 50 0 ECAAMO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)nn2)CC1 ZINC000252669231 436837847 /nfs/dbraw/zinc/83/78/47/436837847.db2.gz GXTYMEMTNCRPCE-XRGAULLZSA-N 1 1 348.451 0.314 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000253377630 436839933 /nfs/dbraw/zinc/83/99/33/436839933.db2.gz XRRHKODIUDSXCZ-PMPSAXMXSA-N 1 1 347.463 0.850 50 0 ECAAMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279784303 436841169 /nfs/dbraw/zinc/84/11/69/436841169.db2.gz HSAHDKIYRZGSSP-NVXWUHKLSA-N 1 1 345.443 0.872 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]1CO ZINC000253402437 436841221 /nfs/dbraw/zinc/84/12/21/436841221.db2.gz GJLDXGWXSAAQFC-UONOGXRCSA-N 1 1 338.404 0.259 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]1CO ZINC000253402437 436841223 /nfs/dbraw/zinc/84/12/23/436841223.db2.gz GJLDXGWXSAAQFC-UONOGXRCSA-N 1 1 338.404 0.259 50 0 ECAAMO COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)NCCn1cc[nH+]c1C ZINC000253401060 436842253 /nfs/dbraw/zinc/84/22/53/436842253.db2.gz FINSQOOAYATLJI-LSDHHAIUSA-N 1 1 344.419 0.497 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000257180263 436858019 /nfs/dbraw/zinc/85/80/19/436858019.db2.gz DJPGLYMFJDTLQH-CVEARBPZSA-N 1 1 337.464 0.739 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000252487711 436833494 /nfs/dbraw/zinc/83/34/94/436833494.db2.gz IAISJAHAJVKIMY-KBPBESRZSA-N 1 1 341.433 0.091 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000299754222 437109269 /nfs/dbraw/zinc/10/92/69/437109269.db2.gz XGEDIGUKMQIZGI-KYJSFNMBSA-N 1 1 337.464 0.860 50 0 ECAAMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC000277412997 437217181 /nfs/dbraw/zinc/21/71/81/437217181.db2.gz UDYFWHZZXRLZSL-HUUCEWRRSA-N 1 1 333.457 0.999 50 0 ECAAMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC000277412997 437217187 /nfs/dbraw/zinc/21/71/87/437217187.db2.gz UDYFWHZZXRLZSL-HUUCEWRRSA-N 1 1 333.457 0.999 50 0 ECAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCNC(=O)CC1 ZINC000182894386 437366042 /nfs/dbraw/zinc/36/60/42/437366042.db2.gz CUKXZIVGMAMNFR-INIZCTEOSA-N 1 1 346.431 0.285 50 0 ECAAMO OCCNc1nc(N2CCOC3(CCCC3)C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426407564 438056349 /nfs/dbraw/zinc/05/63/49/438056349.db2.gz NNMYJPSKHXQDOE-CQSZACIVSA-N 1 1 348.447 1.534 50 0 ECAAMO CN(Cc1cccnc1)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426510446 438063683 /nfs/dbraw/zinc/06/36/83/438063683.db2.gz URWHPARYAYATFV-CQSZACIVSA-N 1 1 329.404 1.416 50 0 ECAAMO COCc1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](CCO)C2)s1 ZINC000426496947 438063736 /nfs/dbraw/zinc/06/37/36/438063736.db2.gz NMBGKRXCPXSFMZ-GFCCVEGCSA-N 1 1 327.450 0.918 50 0 ECAAMO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000426534104 438065325 /nfs/dbraw/zinc/06/53/25/438065325.db2.gz TYHTYDHZVOCKII-HZPDHXFCSA-N 1 1 347.419 0.548 50 0 ECAAMO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000426534104 438065331 /nfs/dbraw/zinc/06/53/31/438065331.db2.gz TYHTYDHZVOCKII-HZPDHXFCSA-N 1 1 347.419 0.548 50 0 ECAAMO Cc1n[nH]c(C)c1CNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426618374 438067851 /nfs/dbraw/zinc/06/78/51/438067851.db2.gz PYRXQZYFFRCTBO-LBPRGKRZSA-N 1 1 332.408 0.181 50 0 ECAAMO C[C@H](NC(=O)N1CC[NH+](CCO)CC1)c1nc(-c2ccncc2)no1 ZINC000426697584 438071760 /nfs/dbraw/zinc/07/17/60/438071760.db2.gz TWAPHYHEFKDLSY-LBPRGKRZSA-N 1 1 346.391 0.512 50 0 ECAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000534654270 439530904 /nfs/dbraw/zinc/53/09/04/439530904.db2.gz DNXRWLGIPMPCOQ-INIZCTEOSA-N 1 1 344.415 0.891 50 0 ECAAMO CC[NH+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@H](C)C1 ZINC000585142611 439635697 /nfs/dbraw/zinc/63/56/97/439635697.db2.gz ZYVISEXJDNJYOC-VXGBXAGGSA-N 1 1 342.465 0.488 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](C(=O)N2CCN(CCSC)CC2)C1 ZINC000584895664 439626573 /nfs/dbraw/zinc/62/65/73/439626573.db2.gz NZWISVJBKOIFCO-OAHLLOKOSA-N 1 1 329.510 0.852 50 0 ECAAMO CNC(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000083882315 545708717 /nfs/dbraw/zinc/70/87/17/545708717.db2.gz YTNPPSDVXPBHHV-GJZGRUSLSA-N 1 1 332.404 0.112 50 0 ECAAMO O=C(c1cc2c([nH]c1=O)CCC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000084338772 545709161 /nfs/dbraw/zinc/70/91/61/545709161.db2.gz GONYNPCUSVGKGQ-AWEZNQCLSA-N 1 1 331.416 0.800 50 0 ECAAMO CC[N@H+]1CC[C@H](N(C)C(=O)CCC(=O)N2CCOCC2)C[C@H]1C ZINC000329498482 546026447 /nfs/dbraw/zinc/02/64/47/546026447.db2.gz GUVXONYFSUIMHQ-CABCVRRESA-N 1 1 325.453 0.957 50 0 ECAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnnn1C ZINC000330160683 546040054 /nfs/dbraw/zinc/04/00/54/546040054.db2.gz RGYXIRREOFDBBR-HNNXBMFYSA-N 1 1 349.460 0.958 50 0 ECAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000585094188 546287516 /nfs/dbraw/zinc/28/75/16/546287516.db2.gz NRJKDGZSEHLWHA-KGLIPLIRSA-N 1 1 338.452 0.897 50 0 ECAAMO O=C(c1cnccn1)N1CCC([N@H+]2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000670444027 548012055 /nfs/dbraw/zinc/01/20/55/548012055.db2.gz VFXZFNSYIWWLDE-ZDUSSCGKSA-N 1 1 331.376 0.218 50 0 ECAAMO Cn1nccc1CCn1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)nn1 ZINC000685943628 549729587 /nfs/dbraw/zinc/72/95/87/549729587.db2.gz GNACKOFAWASPJM-QGZVFWFLSA-N 1 1 329.452 0.924 50 0 ECAAMO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)nn1-c1ccc(F)cc1 ZINC000888093707 586348686 /nfs/dbraw/zinc/34/86/86/586348686.db2.gz XJWJZTLZVIWZDR-AWEZNQCLSA-N 1 1 347.394 0.901 50 0 ECAAMO C[C@H](C(=O)N1CCC2(CCC(=O)N(C)C2)CC1)N1CC[NH+](C)CC1 ZINC000219590164 735240692 /nfs/dbraw/zinc/24/06/92/735240692.db2.gz XRJNXPHNFIEMDG-OAHLLOKOSA-N 1 1 336.480 0.483 50 0 ECAAMO O=C(c1nc2ccccc2[nH]1)N1CC[N@H+](C2CCOCC2)C[C@@H](O)C1 ZINC000097730226 219052543 /nfs/dbraw/zinc/05/25/43/219052543.db2.gz RJCJGCDGEGPTHV-CQSZACIVSA-N 1 1 344.415 0.861 50 0 ECAAMO CCOc1ccccc1CCNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055182872 214284009 /nfs/dbraw/zinc/28/40/09/214284009.db2.gz NOTKPMJBVHSDCD-HNNXBMFYSA-N 1 1 333.432 0.941 50 0 ECAAMO Cc1ncc(CO)c(C[N@H+]2CCc3nc(C)n(C)c(=O)c3CC2)c1O ZINC000065404663 282157685 /nfs/dbraw/zinc/15/76/85/282157685.db2.gz BTIYUHRERRDTBW-UHFFFAOYSA-N 1 1 344.415 0.591 50 0 ECAAMO CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998581 529909084 /nfs/dbraw/zinc/90/90/84/529909084.db2.gz DWXOKRBXROCNMV-CVEARBPZSA-N 1 1 349.406 0.764 50 0 ECAAMO CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998581 529909086 /nfs/dbraw/zinc/90/90/86/529909086.db2.gz DWXOKRBXROCNMV-CVEARBPZSA-N 1 1 349.406 0.764 50 0 ECAAMO C[N@@H+]1CCO[C@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC000067643499 215171733 /nfs/dbraw/zinc/17/17/33/215171733.db2.gz JXCUVRKPBWRCNL-CQSZACIVSA-N 1 1 327.388 0.989 50 0 ECAAMO C[N@H+]1CCO[C@H](CCNC(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC000067643499 215171737 /nfs/dbraw/zinc/17/17/37/215171737.db2.gz JXCUVRKPBWRCNL-CQSZACIVSA-N 1 1 327.388 0.989 50 0 ECAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067755252 215203101 /nfs/dbraw/zinc/20/31/01/215203101.db2.gz FFGLKXMJDIASKA-ZDUSSCGKSA-N 1 1 336.436 0.845 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CCNC(=O)c2cccc3nnnn32)C1 ZINC000067804427 215217209 /nfs/dbraw/zinc/21/72/09/215217209.db2.gz AQAMKEDCOPTSCZ-CYBMUJFWSA-N 1 1 332.408 0.601 50 0 ECAAMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCCC(CO)(CO)C1)OCO3 ZINC000067935378 215254370 /nfs/dbraw/zinc/25/43/70/215254370.db2.gz FWTOMFOZNJUVFM-UHFFFAOYSA-N 1 1 346.383 0.824 50 0 ECAAMO C[NH+](C)[C@H](C(=O)N1CCC(O)(CO)CC1)c1ccc2c(c1)OCO2 ZINC000067974350 215263736 /nfs/dbraw/zinc/26/37/36/215263736.db2.gz YQMVHWNTLWBAGG-HNNXBMFYSA-N 1 1 336.388 0.364 50 0 ECAAMO O=C(NCc1cc(C2CC2)[nH]n1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067982924 215266591 /nfs/dbraw/zinc/26/65/91/215266591.db2.gz BIZGDVDLMYVSPK-NSHDSACASA-N 1 1 329.408 0.808 50 0 ECAAMO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017214 215352409 /nfs/dbraw/zinc/35/24/09/215352409.db2.gz XUIJTJGLSKCONL-OKILXGFUSA-N 1 1 338.452 0.359 50 0 ECAAMO C[C@@H]1C[N@H+](CC2CCN(CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017214 215352412 /nfs/dbraw/zinc/35/24/12/215352412.db2.gz XUIJTJGLSKCONL-OKILXGFUSA-N 1 1 338.452 0.359 50 0 ECAAMO Cn1c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc(=O)n(C)c1=O ZINC000040496591 213320750 /nfs/dbraw/zinc/32/07/50/213320750.db2.gz ZONCPDPKAJJUHB-UHFFFAOYSA-N 1 1 342.399 0.348 50 0 ECAAMO O=C(c1cccc2nccnc21)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072151026 216039702 /nfs/dbraw/zinc/03/97/02/216039702.db2.gz SXIREBPIWQMDGV-HNNXBMFYSA-N 1 1 339.399 0.666 50 0 ECAAMO O=C(CCN1Cc2ccccc2C1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072165763 216054089 /nfs/dbraw/zinc/05/40/89/216054089.db2.gz YDFNLANOLAQKCT-IBGZPJMESA-N 1 1 345.443 0.610 50 0 ECAAMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)NCCc1ccc(F)cc1 ZINC000072172844 216063470 /nfs/dbraw/zinc/06/34/70/216063470.db2.gz HRHAYXHFHCCQPM-FSDCSDTHSA-N 1 1 336.407 0.548 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)CC1 ZINC000072268885 216088555 /nfs/dbraw/zinc/08/85/55/216088555.db2.gz XLNYHJMNCPXVHP-LLVKDONJSA-N 1 1 334.376 0.353 50 0 ECAAMO CCOCc1nc2c(c(N3CC[C@H](NC(C)=O)C3)n1)CC[N@@H+](C)CC2 ZINC000072432407 216227242 /nfs/dbraw/zinc/22/72/42/216227242.db2.gz KRJAOTMPBCMLCV-AWEZNQCLSA-N 1 1 347.463 0.758 50 0 ECAAMO C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc1 ZINC000072479831 216260667 /nfs/dbraw/zinc/26/06/67/216260667.db2.gz VIVHEHNUKVKLBY-MAUKXSAKSA-N 1 1 347.415 0.260 50 0 ECAAMO CN(Cc1n[nH]c2c1CCC2)C(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072481105 216261328 /nfs/dbraw/zinc/26/13/28/216261328.db2.gz HEQOEAVXUXSBFF-UHFFFAOYSA-N 1 1 328.420 0.789 50 0 ECAAMO Cc1ccccc1[C@@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)NC(N)=O ZINC000075131218 216569831 /nfs/dbraw/zinc/56/98/31/216569831.db2.gz LBRGYHUJEBRGPB-GOEBONIOSA-N 1 1 348.447 0.620 50 0 ECAAMO O=C(NCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000206609414 241045736 /nfs/dbraw/zinc/04/57/36/241045736.db2.gz SCXLTRGZRANIFS-UHFFFAOYSA-N 1 1 343.786 0.991 50 0 ECAAMO C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3OCC(=O)[O-])C2)CC1 ZINC000215848340 241149760 /nfs/dbraw/zinc/14/97/60/241149760.db2.gz XLEPCTLERRDOCU-MRXNPFEDSA-N 1 1 333.432 0.972 50 0 ECAAMO C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)CC1 ZINC000215848340 241149763 /nfs/dbraw/zinc/14/97/63/241149763.db2.gz XLEPCTLERRDOCU-MRXNPFEDSA-N 1 1 333.432 0.972 50 0 ECAAMO CC[N@H+]1CCC[C@H](CN2CCN(c3ccnc4nncn43)CC2)C1 ZINC000216168196 241170403 /nfs/dbraw/zinc/17/04/03/241170403.db2.gz SDMAUSDOWKYUOY-HNNXBMFYSA-N 1 1 329.452 0.978 50 0 ECAAMO CN([C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000216153200 241171522 /nfs/dbraw/zinc/17/15/22/241171522.db2.gz OBGFYDFRZHFJNR-CYBMUJFWSA-N 1 1 343.424 0.711 50 0 ECAAMO CN([C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000216153200 241171529 /nfs/dbraw/zinc/17/15/29/241171529.db2.gz OBGFYDFRZHFJNR-CYBMUJFWSA-N 1 1 343.424 0.711 50 0 ECAAMO Cc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)cc(=O)[nH]1 ZINC000216441374 241191937 /nfs/dbraw/zinc/19/19/37/241191937.db2.gz XOQJLFJRKJGZHL-UHFFFAOYSA-N 1 1 332.448 0.925 50 0 ECAAMO Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)cc(=O)[nH]1 ZINC000216441374 241191945 /nfs/dbraw/zinc/19/19/45/241191945.db2.gz XOQJLFJRKJGZHL-UHFFFAOYSA-N 1 1 332.448 0.925 50 0 ECAAMO Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)cc(=O)[nH]1 ZINC000216441374 241191949 /nfs/dbraw/zinc/19/19/49/241191949.db2.gz XOQJLFJRKJGZHL-UHFFFAOYSA-N 1 1 332.448 0.925 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229383764 242158890 /nfs/dbraw/zinc/15/88/90/242158890.db2.gz XDQBIOXGTPEDHZ-CVEARBPZSA-N 1 1 341.415 0.925 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)C2=NNC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000229657289 242188475 /nfs/dbraw/zinc/18/84/75/242188475.db2.gz PNSQIHVSKHPNJB-MRXNPFEDSA-N 1 1 343.431 0.357 50 0 ECAAMO CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229805735 242201679 /nfs/dbraw/zinc/20/16/79/242201679.db2.gz MHRIKOLLEVOBII-KBPBESRZSA-N 1 1 344.481 0.336 50 0 ECAAMO CC(C)CN1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840262 242205041 /nfs/dbraw/zinc/20/50/41/242205041.db2.gz SXMHHHIMAGUAEI-SJORKVTESA-N 1 1 336.480 0.999 50 0 ECAAMO Nc1nccnc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021400276 212223293 /nfs/dbraw/zinc/22/32/93/212223293.db2.gz GHGYKLVWEDWZNE-UHFFFAOYSA-N 1 1 327.388 0.821 50 0 ECAAMO COCc1nnc(NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC000244742069 243071743 /nfs/dbraw/zinc/07/17/43/243071743.db2.gz OBHZFQYGAWBMDV-NSHDSACASA-N 1 1 325.438 0.793 50 0 ECAAMO COc1ccc(NC(=O)CC[NH+]2CCN(CCO)CC2)c(OC)c1 ZINC000019841491 212074306 /nfs/dbraw/zinc/07/43/06/212074306.db2.gz VLXXBRUKGMTJQT-UHFFFAOYSA-N 1 1 337.420 0.642 50 0 ECAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019530803 212039482 /nfs/dbraw/zinc/03/94/82/212039482.db2.gz QSPBBQSQBGJMOJ-HNNXBMFYSA-N 1 1 345.399 0.743 50 0 ECAAMO Cc1c[nH]c(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CCO)CC3)c1 ZINC000091440648 218005734 /nfs/dbraw/zinc/00/57/34/218005734.db2.gz FNMZVPHKPZEGFP-SFHVURJKSA-N 1 1 348.447 0.454 50 0 ECAAMO O=C(CCc1ccncc1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091586025 218025743 /nfs/dbraw/zinc/02/57/43/218025743.db2.gz XJKBKZKISCXHDU-MSOLQXFVSA-N 1 1 347.459 0.803 50 0 ECAAMO COc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000091746394 218058445 /nfs/dbraw/zinc/05/84/45/218058445.db2.gz PEOAGHGDWWNETC-HUUCEWRRSA-N 1 1 335.404 0.103 50 0 ECAAMO CCN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC1=O ZINC000091933172 218090614 /nfs/dbraw/zinc/09/06/14/218090614.db2.gz WBQJZUCXZGKBNO-OAHLLOKOSA-N 1 1 330.432 0.984 50 0 ECAAMO CCN1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC1=O ZINC000091933172 218090617 /nfs/dbraw/zinc/09/06/17/218090617.db2.gz WBQJZUCXZGKBNO-OAHLLOKOSA-N 1 1 330.432 0.984 50 0 ECAAMO Cc1cnn(CCC[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1 ZINC000091849313 218076798 /nfs/dbraw/zinc/07/67/98/218076798.db2.gz DRPUFVBDTFYMHL-HUUCEWRRSA-N 1 1 326.466 0.937 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@]12CCNC(=O)CC2 ZINC000091907680 218087261 /nfs/dbraw/zinc/08/72/61/218087261.db2.gz ICJOVOXOAKYETA-LJQANCHMSA-N 1 1 342.443 0.997 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000092028952 218106851 /nfs/dbraw/zinc/10/68/51/218106851.db2.gz GGCYWRMEQHFVBQ-CYBMUJFWSA-N 1 1 347.415 0.482 50 0 ECAAMO CC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000092046506 218110203 /nfs/dbraw/zinc/11/02/03/218110203.db2.gz ZJZHJXFNTZANPC-IRXDYDNUSA-N 1 1 349.479 0.051 50 0 ECAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095354620 218288133 /nfs/dbraw/zinc/28/81/33/218288133.db2.gz SSKBGBVGZHKHPX-GFCCVEGCSA-N 1 1 333.436 0.665 50 0 ECAAMO Cc1nonc1OCCNC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095357387 218290594 /nfs/dbraw/zinc/29/05/94/218290594.db2.gz GFYRLWXFGWEYCJ-CYBMUJFWSA-N 1 1 338.408 0.764 50 0 ECAAMO Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095372423 218305228 /nfs/dbraw/zinc/30/52/28/218305228.db2.gz BVUAVBKPNFXTLS-CQSZACIVSA-N 1 1 334.420 0.979 50 0 ECAAMO CC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095438368 218381949 /nfs/dbraw/zinc/38/19/49/218381949.db2.gz CSEQONISGUVYND-DLBZAZTESA-N 1 1 338.496 0.918 50 0 ECAAMO O=C1CCCN1CC[N@H+]1CC[C@@]2(O)CCN(c3ncccn3)C[C@H]2C1 ZINC000091876801 296318983 /nfs/dbraw/zinc/31/89/83/296318983.db2.gz MPTWGQDJYRUPJK-CRAIPNDOSA-N 1 1 345.447 0.362 50 0 ECAAMO CC(=O)Nc1ccc(C[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000097436752 219024760 /nfs/dbraw/zinc/02/47/60/219024760.db2.gz KUYNJEUNTBTFSD-ROUUACIJSA-N 1 1 333.432 0.912 50 0 ECAAMO CC(=O)Nc1ccc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000097436752 219024762 /nfs/dbraw/zinc/02/47/62/219024762.db2.gz KUYNJEUNTBTFSD-ROUUACIJSA-N 1 1 333.432 0.912 50 0 ECAAMO CC(=O)Nc1ccc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000097436752 219024764 /nfs/dbraw/zinc/02/47/64/219024764.db2.gz KUYNJEUNTBTFSD-ROUUACIJSA-N 1 1 333.432 0.912 50 0 ECAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1C(N)=O ZINC000004747547 210268483 /nfs/dbraw/zinc/26/84/83/210268483.db2.gz ZXJFZLHFWDTUSL-ZETCQYMHSA-N 1 1 332.389 0.859 50 0 ECAAMO CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000299799963 258103336 /nfs/dbraw/zinc/10/33/36/258103336.db2.gz YAXNBPDLJXWQFR-KRWDZBQOSA-N 1 1 344.459 0.801 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCO1 ZINC000047594381 132424220 /nfs/dbraw/zinc/42/42/20/132424220.db2.gz HVIOZVZNUXMXSA-OAHLLOKOSA-N 1 1 348.451 0.467 50 0 ECAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000193353558 297103712 /nfs/dbraw/zinc/10/37/12/297103712.db2.gz GCDUIJDVORDNQQ-LLVKDONJSA-N 1 1 332.447 0.214 50 0 ECAAMO COc1cccc(CN2CC3(CC2=O)CC[NH+](CC(N)=O)CC3)c1 ZINC000095508638 286449694 /nfs/dbraw/zinc/44/96/94/286449694.db2.gz NELIKQHSRHLIND-UHFFFAOYSA-N 1 1 331.416 0.995 50 0 ECAAMO O=C(c1ccc(CO)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091381712 280183107 /nfs/dbraw/zinc/18/31/07/280183107.db2.gz IMUCEBGHUJMZED-IAGOWNOFSA-N 1 1 334.416 0.192 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccco1 ZINC000041976239 289361556 /nfs/dbraw/zinc/36/15/56/289361556.db2.gz QVCBYCMECFFMEN-VXGBXAGGSA-N 1 1 329.422 0.423 50 0 ECAAMO CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000332276287 297025271 /nfs/dbraw/zinc/02/52/71/297025271.db2.gz DJSSZIAQGVCUFT-ZJIFWQFVSA-N 1 1 341.452 0.400 50 0 ECAAMO COc1cc2[nH+]c(N3CCN(C(C)=O)CC3)nc(N)c2cc1OC ZINC000001424240 435958716 /nfs/dbraw/zinc/95/87/16/435958716.db2.gz RYPUHXSUCBWYDG-UHFFFAOYSA-N 1 1 331.376 0.898 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000069816839 435969812 /nfs/dbraw/zinc/96/98/12/435969812.db2.gz ZUQWGYSKFHTMSY-AWEZNQCLSA-N 1 1 348.451 0.937 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000069980927 435979020 /nfs/dbraw/zinc/97/90/20/435979020.db2.gz CCZFQJOVLXDZSJ-JKSUJKDBSA-N 1 1 332.448 0.823 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000069976689 435980798 /nfs/dbraw/zinc/98/07/98/435980798.db2.gz AEJNCLOLRXWUGS-OLZOCXBDSA-N 1 1 337.386 0.834 50 0 ECAAMO O=c1oc2ccccc2n1CCC[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070040889 435987044 /nfs/dbraw/zinc/98/70/44/435987044.db2.gz CDJZSPVVRLCILZ-AWEZNQCLSA-N 1 1 343.387 0.977 50 0 ECAAMO O=c1oc2ccccc2n1CCC[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070040889 435987050 /nfs/dbraw/zinc/98/70/50/435987050.db2.gz CDJZSPVVRLCILZ-AWEZNQCLSA-N 1 1 343.387 0.977 50 0 ECAAMO COc1ccnc(Nc2cnn(C[C@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000069599353 435951173 /nfs/dbraw/zinc/95/11/73/435951173.db2.gz XSNGYLKBBBMPJC-CYBMUJFWSA-N 1 1 334.380 0.118 50 0 ECAAMO CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000069586969 435951595 /nfs/dbraw/zinc/95/15/95/435951595.db2.gz ZCQWJVACZQNVOX-MOKVOYLWSA-N 1 1 346.497 0.186 50 0 ECAAMO CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000069586969 435951599 /nfs/dbraw/zinc/95/15/99/435951599.db2.gz ZCQWJVACZQNVOX-MOKVOYLWSA-N 1 1 346.497 0.186 50 0 ECAAMO CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000071842044 436018366 /nfs/dbraw/zinc/01/83/66/436018366.db2.gz BTAQIYZXOQLFJF-GFCCVEGCSA-N 1 1 326.418 0.666 50 0 ECAAMO C[N@H+](CC(=O)Nc1nncs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000071859753 436018484 /nfs/dbraw/zinc/01/84/84/436018484.db2.gz KYFBIEWYXZUWBI-NSHDSACASA-N 1 1 333.421 0.867 50 0 ECAAMO C[N@@H+](CC(=O)Nc1nncs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000071859753 436018488 /nfs/dbraw/zinc/01/84/88/436018488.db2.gz KYFBIEWYXZUWBI-NSHDSACASA-N 1 1 333.421 0.867 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000008193688 436023644 /nfs/dbraw/zinc/02/36/44/436023644.db2.gz FGMXOFICHISHDG-OAHLLOKOSA-N 1 1 330.432 0.533 50 0 ECAAMO C[C@H]1CN(C)CCN1C(=O)CCCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000071890059 436026535 /nfs/dbraw/zinc/02/65/35/436026535.db2.gz BITFGGYELRZCOU-HOTGVXAUSA-N 1 1 338.496 0.872 50 0 ECAAMO C[C@H]1CN(C)CCN1C(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000071890059 436026542 /nfs/dbraw/zinc/02/65/42/436026542.db2.gz BITFGGYELRZCOU-HOTGVXAUSA-N 1 1 338.496 0.872 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000072279883 436039525 /nfs/dbraw/zinc/03/95/25/436039525.db2.gz LYEFRLDZIMNTAP-HIFRSBDPSA-N 1 1 335.452 0.956 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000072279883 436039533 /nfs/dbraw/zinc/03/95/33/436039533.db2.gz LYEFRLDZIMNTAP-HIFRSBDPSA-N 1 1 335.452 0.956 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000072269654 436039839 /nfs/dbraw/zinc/03/98/39/436039839.db2.gz BUPXNVXCBRAKKP-UHFFFAOYSA-N 1 1 329.404 0.796 50 0 ECAAMO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269910 436040127 /nfs/dbraw/zinc/04/01/27/436040127.db2.gz PQNFLVUTJKAWKY-HOTGVXAUSA-N 1 1 345.447 0.748 50 0 ECAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000072300154 436042542 /nfs/dbraw/zinc/04/25/42/436042542.db2.gz POYFYPVOWNMBJQ-DZGCQCFKSA-N 1 1 331.482 0.901 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000072300004 436042621 /nfs/dbraw/zinc/04/26/21/436042621.db2.gz BWYWMABDRNCMHX-LBPRGKRZSA-N 1 1 343.453 0.002 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000072300004 436042627 /nfs/dbraw/zinc/04/26/27/436042627.db2.gz BWYWMABDRNCMHX-LBPRGKRZSA-N 1 1 343.453 0.002 50 0 ECAAMO CCC(=O)c1ccc(OCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000014139741 436067907 /nfs/dbraw/zinc/06/79/07/436067907.db2.gz RFAUWEJJCQNWTM-UHFFFAOYSA-N 1 1 347.415 0.724 50 0 ECAAMO COC(=O)CCCNC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000016381501 436089321 /nfs/dbraw/zinc/08/93/21/436089321.db2.gz HOKAXHNEMPHABD-UHFFFAOYSA-N 1 1 336.388 0.959 50 0 ECAAMO COC(=O)CCCNC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000016381501 436089325 /nfs/dbraw/zinc/08/93/25/436089325.db2.gz HOKAXHNEMPHABD-UHFFFAOYSA-N 1 1 336.388 0.959 50 0 ECAAMO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)CO2 ZINC000020136424 436109183 /nfs/dbraw/zinc/10/91/83/436109183.db2.gz FTHLJYQVRHBGCW-UHFFFAOYSA-N 1 1 347.415 0.559 50 0 ECAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C(N)=O)CC1 ZINC000024989294 436142849 /nfs/dbraw/zinc/14/28/49/436142849.db2.gz CKWLRVHWMOKICD-SECBINFHSA-N 1 1 331.376 0.381 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000025232292 436148515 /nfs/dbraw/zinc/14/85/15/436148515.db2.gz JQOCHEIRAXDVIX-UHFFFAOYSA-N 1 1 342.403 0.208 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133579 436152914 /nfs/dbraw/zinc/15/29/14/436152914.db2.gz DWFCZAWXCKMNJV-IRXDYDNUSA-N 1 1 347.463 0.854 50 0 ECAAMO COCCOc1ncccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000075606430 436166791 /nfs/dbraw/zinc/16/67/91/436166791.db2.gz HCRLZKSMEJGOFI-HOTGVXAUSA-N 1 1 349.431 0.778 50 0 ECAAMO O[C@]1(CNCCc2csc(-c3cnccn3)n2)C[NH2+]CCOC1 ZINC000077504569 436241448 /nfs/dbraw/zinc/24/14/48/436241448.db2.gz CWNRIUUMSYZPEJ-OAHLLOKOSA-N 1 1 335.433 0.083 50 0 ECAAMO CC(C)n1nc2c(cc1=O)C[N@@H+](CCCNS(C)(=O)=O)CC2 ZINC000076065030 436193144 /nfs/dbraw/zinc/19/31/44/436193144.db2.gz OZSNRZQOYREFNM-UHFFFAOYSA-N 1 1 328.438 0.122 50 0 ECAAMO CC(C)n1nc2c(cc1=O)C[N@H+](CCCNS(C)(=O)=O)CC2 ZINC000076065030 436193146 /nfs/dbraw/zinc/19/31/46/436193146.db2.gz OZSNRZQOYREFNM-UHFFFAOYSA-N 1 1 328.438 0.122 50 0 ECAAMO CN(C)c1nc(N2CCN(C(=O)CN3CCCOC3=O)CC2)cc[nH+]1 ZINC000079055455 436288455 /nfs/dbraw/zinc/28/84/55/436288455.db2.gz SBMKEDUHFDWWJK-UHFFFAOYSA-N 1 1 348.407 0.034 50 0 ECAAMO COc1ccccc1CNC(=O)c1nc[nH]c1C(=O)NCC[NH+](C)C ZINC000033003792 436249843 /nfs/dbraw/zinc/24/98/43/436249843.db2.gz RLONFMHMWNDKSP-UHFFFAOYSA-N 1 1 345.403 0.640 50 0 ECAAMO Cc1nn(C)c(C)c1CN1CCN(C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000041123505 436268303 /nfs/dbraw/zinc/26/83/03/436268303.db2.gz HYCZQKKHGMZLMT-SFHVURJKSA-N 1 1 335.496 0.611 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2n1 ZINC000078789117 436279000 /nfs/dbraw/zinc/27/90/00/436279000.db2.gz MKEASNCTBPQCHZ-HUUCEWRRSA-N 1 1 329.404 0.709 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000078898950 436282256 /nfs/dbraw/zinc/28/22/56/436282256.db2.gz XEPCEEAHFJNHQE-WBMJQRKESA-N 1 1 339.461 0.594 50 0 ECAAMO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@H]3C)cc21 ZINC000078898933 436282373 /nfs/dbraw/zinc/28/23/73/436282373.db2.gz QTWYQWADRQKESP-ABAIWWIYSA-N 1 1 337.445 0.824 50 0 ECAAMO CC[C@](C)(CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1CCOCC1 ZINC000042775682 436317099 /nfs/dbraw/zinc/31/70/99/436317099.db2.gz YBWMDWAUFZVMGW-QGZVFWFLSA-N 1 1 347.419 0.113 50 0 ECAAMO CN(C)C(=O)N1CCCn2nc(CNc3cc[nH+]c(N)n3)cc2C1 ZINC000082127065 436360720 /nfs/dbraw/zinc/36/07/20/436360720.db2.gz GDMKWFDPNOQXJN-UHFFFAOYSA-N 1 1 330.396 0.755 50 0 ECAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000082120645 436361087 /nfs/dbraw/zinc/36/10/87/436361087.db2.gz GNLUXMYKLOCVAY-AWEZNQCLSA-N 1 1 337.445 0.863 50 0 ECAAMO CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@@H]3COCCN3)cc2C1 ZINC000082120316 436361255 /nfs/dbraw/zinc/36/12/55/436361255.db2.gz CQLYPWLEMJAKRH-OAHLLOKOSA-N 1 1 335.452 0.349 50 0 ECAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@@H]3COCCN3)cc2C1 ZINC000082120316 436361257 /nfs/dbraw/zinc/36/12/57/436361257.db2.gz CQLYPWLEMJAKRH-OAHLLOKOSA-N 1 1 335.452 0.349 50 0 ECAAMO O=C([C@@H]1CNCCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082087600 436361426 /nfs/dbraw/zinc/36/14/26/436361426.db2.gz JOSCEADPMRVDJE-SFHVURJKSA-N 1 1 329.444 0.677 50 0 ECAAMO O=C([C@@H]1CNCCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082087600 436361429 /nfs/dbraw/zinc/36/14/29/436361429.db2.gz JOSCEADPMRVDJE-SFHVURJKSA-N 1 1 329.444 0.677 50 0 ECAAMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000083615366 436374058 /nfs/dbraw/zinc/37/40/58/436374058.db2.gz FBOJXDKAAFFNDL-CQSZACIVSA-N 1 1 339.461 0.659 50 0 ECAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000084026885 436377669 /nfs/dbraw/zinc/37/76/69/436377669.db2.gz GTBFJNXYCDPEHR-VXGBXAGGSA-N 1 1 346.387 0.496 50 0 ECAAMO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000084597309 436382466 /nfs/dbraw/zinc/38/24/66/436382466.db2.gz KYIMBMCJNNITBO-QGZVFWFLSA-N 1 1 336.436 0.794 50 0 ECAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000084597309 436382469 /nfs/dbraw/zinc/38/24/69/436382469.db2.gz KYIMBMCJNNITBO-QGZVFWFLSA-N 1 1 336.436 0.794 50 0 ECAAMO CC[C@H]1CN(C(=O)COCc2nc(C)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735864 436383973 /nfs/dbraw/zinc/38/39/73/436383973.db2.gz VFXFXBZDMKQJKA-KBPBESRZSA-N 1 1 338.408 0.464 50 0 ECAAMO Cc1ccc(CNC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000044967799 436357483 /nfs/dbraw/zinc/35/74/83/436357483.db2.gz NKPKYTKPNCBXMT-SJORKVTESA-N 1 1 348.447 0.927 50 0 ECAAMO O=C(Cc1ccc(F)cc1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000044974359 436358200 /nfs/dbraw/zinc/35/82/00/436358200.db2.gz ZMTMKWSZQCXOOC-KRWDZBQOSA-N 1 1 346.406 0.770 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000048310480 436449244 /nfs/dbraw/zinc/44/92/44/436449244.db2.gz FUDUMPKLFVNAEP-GFCCVEGCSA-N 1 1 325.434 0.796 50 0 ECAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)Cn3cnnn3)cc2)CC1 ZINC000048844161 436459304 /nfs/dbraw/zinc/45/93/04/436459304.db2.gz VFIRIHLFWWOYNK-UHFFFAOYSA-N 1 1 343.435 0.127 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCO1 ZINC000047594380 436424429 /nfs/dbraw/zinc/42/44/29/436424429.db2.gz HVIOZVZNUXMXSA-HNNXBMFYSA-N 1 1 348.451 0.467 50 0 ECAAMO Cc1cc(C)n(CCC[N@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096164648 436518159 /nfs/dbraw/zinc/51/81/59/436518159.db2.gz NWRDOQQUHASGJS-RDJZCZTQSA-N 1 1 336.436 0.201 50 0 ECAAMO Cc1cc(C)n(CCC[NH+]2C[C@H]3C[N@H+](CCO)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096164648 436518163 /nfs/dbraw/zinc/51/81/63/436518163.db2.gz NWRDOQQUHASGJS-RDJZCZTQSA-N 1 1 336.436 0.201 50 0 ECAAMO Cc1cc(C)n(CCC[NH+]2C[C@H]3C[N@@H+](CCO)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096164648 436518166 /nfs/dbraw/zinc/51/81/66/436518166.db2.gz NWRDOQQUHASGJS-RDJZCZTQSA-N 1 1 336.436 0.201 50 0 ECAAMO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000095402387 436494813 /nfs/dbraw/zinc/49/48/13/436494813.db2.gz GDNSFCGSCFHIOF-GJZGRUSLSA-N 1 1 346.435 0.711 50 0 ECAAMO CCC[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2Cc2cnc[nH]2)CC1 ZINC000095500080 436495933 /nfs/dbraw/zinc/49/59/33/436495933.db2.gz YKTIBOSPSGCZLC-INIZCTEOSA-N 1 1 347.463 0.791 50 0 ECAAMO COc1ccc(OC)c(C[NH2+]CCS(=O)(=O)N2CCOCC2)c1 ZINC000096404226 436529679 /nfs/dbraw/zinc/52/96/79/436529679.db2.gz FJGVMAZLEIUXCF-UHFFFAOYSA-N 1 1 344.433 0.455 50 0 ECAAMO O=C(Cn1nc2c(cc1=O)CCCCC2)NCCC[NH+]1CCOCC1 ZINC000096344018 436529864 /nfs/dbraw/zinc/52/98/64/436529864.db2.gz LWNZSTPRXFAZNK-UHFFFAOYSA-N 1 1 348.447 0.351 50 0 ECAAMO O=C(CCc1ccncc1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000053480361 436534070 /nfs/dbraw/zinc/53/40/70/436534070.db2.gz BHNQHMIEGOGFOM-UHFFFAOYSA-N 1 1 330.432 0.873 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCn3ccnc3C2)C1 ZINC000097201434 436542890 /nfs/dbraw/zinc/54/28/90/436542890.db2.gz SUBFINJWOXDHLA-HNNXBMFYSA-N 1 1 335.452 0.172 50 0 ECAAMO CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384187 436548622 /nfs/dbraw/zinc/54/86/22/436548622.db2.gz SXMHHHIMAGUAEI-DLBZAZTESA-N 1 1 336.480 0.999 50 0 ECAAMO C[C@@H]1C[NH+](CCNc2cc(N3CCC[C@H]3CO)ncn2)C[C@@H](C)O1 ZINC000106905853 436605868 /nfs/dbraw/zinc/60/58/68/436605868.db2.gz XUODVERIWBWGAM-KFWWJZLASA-N 1 1 335.452 0.959 50 0 ECAAMO C[N@H+]1CCN(Cc2ccc(OCCO)cc2)C[C@@]12CCNC(=O)CC2 ZINC000107686444 436613278 /nfs/dbraw/zinc/61/32/78/436613278.db2.gz GMZXAKRZHSIGND-LJQANCHMSA-N 1 1 347.459 0.844 50 0 ECAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cc(=O)[nH]c(=O)[nH]2)Oc2ccccc21 ZINC000058226103 436621155 /nfs/dbraw/zinc/62/11/55/436621155.db2.gz MNSRETMMEMVXEE-CYBMUJFWSA-N 1 1 330.388 0.783 50 0 ECAAMO NC(=O)c1ccc(-c2nc3c([nH]2)CN(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC000220198688 436699442 /nfs/dbraw/zinc/69/94/42/436699442.db2.gz DYGOLDDVHCMDQM-FICVDOATSA-N 1 1 337.427 0.999 50 0 ECAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)NC1Cc2ccccc2C1 ZINC000221284806 436700324 /nfs/dbraw/zinc/70/03/24/436700324.db2.gz NSIMFHILYUSTPN-INIZCTEOSA-N 1 1 331.416 0.059 50 0 ECAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)NC1Cc2ccccc2C1 ZINC000221284806 436700329 /nfs/dbraw/zinc/70/03/29/436700329.db2.gz NSIMFHILYUSTPN-INIZCTEOSA-N 1 1 331.416 0.059 50 0 ECAAMO OCCn1ncc2c1CN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000067432023 436714076 /nfs/dbraw/zinc/71/40/76/436714076.db2.gz QPJXLTFHUCTVOW-UHFFFAOYSA-N 1 1 330.392 0.147 50 0 ECAAMO C[N@H+]1CCCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000065440624 436661277 /nfs/dbraw/zinc/66/12/77/436661277.db2.gz JUWIMVBFKZTDSV-UHFFFAOYSA-N 1 1 333.436 0.765 50 0 ECAAMO C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000065446800 436661610 /nfs/dbraw/zinc/66/16/10/436661610.db2.gz YUEIVQIDEGYQAA-GFCCVEGCSA-N 1 1 340.449 0.742 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194738609 436670824 /nfs/dbraw/zinc/67/08/24/436670824.db2.gz MCVGQCRNYWKVQV-HNNXBMFYSA-N 1 1 342.399 0.175 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)c2cnc3ccccn3c2=O)CC1 ZINC000147631643 436681604 /nfs/dbraw/zinc/68/16/04/436681604.db2.gz GYVFCWBVRGGUOH-UHFFFAOYSA-N 1 1 343.431 0.452 50 0 ECAAMO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153231960 436752251 /nfs/dbraw/zinc/75/22/51/436752251.db2.gz WAQLMHXFIQTVLD-IYBDPMFKSA-N 1 1 331.464 0.803 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC000239591409 436757664 /nfs/dbraw/zinc/75/76/64/436757664.db2.gz BBHFAZNWGKEEPK-ILXRZTDVSA-N 1 1 338.452 0.979 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000246030053 436772729 /nfs/dbraw/zinc/77/27/29/436772729.db2.gz VWVQVXNOEBQJHP-RISCZKNCSA-N 1 1 338.433 0.892 50 0 ECAAMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247083705 436788470 /nfs/dbraw/zinc/78/84/70/436788470.db2.gz HDPCYWDBLCRHMV-HOTGVXAUSA-N 1 1 335.452 0.070 50 0 ECAAMO COc1ccc([C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252553307 436837741 /nfs/dbraw/zinc/83/77/41/436837741.db2.gz VJOJYKNLQQEIHS-DAYGRLMNSA-N 1 1 349.431 0.741 50 0 ECAAMO Cc1nsc2ncn(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)c(=O)c12 ZINC000253426791 436846066 /nfs/dbraw/zinc/84/60/66/436846066.db2.gz XQOQNLMLLIOUKF-CKYFFXLPSA-N 1 1 338.433 0.632 50 0 ECAAMO CC(=O)NCC(=O)N1CC[C@@H]2COCC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000257194109 436860128 /nfs/dbraw/zinc/86/01/28/436860128.db2.gz SODOGADYEVCZMW-IAGOWNOFSA-N 1 1 346.431 0.267 50 0 ECAAMO CC(=O)NCC(=O)N1CC[C@@H]2COCC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000257194109 436860132 /nfs/dbraw/zinc/86/01/32/436860132.db2.gz SODOGADYEVCZMW-IAGOWNOFSA-N 1 1 346.431 0.267 50 0 ECAAMO COCCn1cnnc1CNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299769517 437109899 /nfs/dbraw/zinc/10/98/99/437109899.db2.gz XVDZMPQJZMGDTA-BETUJISGSA-N 1 1 325.413 0.040 50 0 ECAAMO NC(=O)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000176721075 437154447 /nfs/dbraw/zinc/15/44/47/437154447.db2.gz UMAXFHUNCINNFP-OAHLLOKOSA-N 1 1 328.372 0.953 50 0 ECAAMO NC(=O)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000176721075 437154451 /nfs/dbraw/zinc/15/44/51/437154451.db2.gz UMAXFHUNCINNFP-OAHLLOKOSA-N 1 1 328.372 0.953 50 0 ECAAMO Cc1cc(=O)[nH]c([C@@H](C)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000192625085 437681787 /nfs/dbraw/zinc/68/17/87/437681787.db2.gz OLLCSKHMQYNUSG-ZIAGYGMSSA-N 1 1 333.436 0.790 50 0 ECAAMO OC1CN(c2nc(NCCc3cccnc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426412478 438057530 /nfs/dbraw/zinc/05/75/30/438057530.db2.gz UZUYVLFFSKGWPN-CQSZACIVSA-N 1 1 341.415 1.211 50 0 ECAAMO Cc1[nH+]ccn1CCN(C)c1cc([C@H]2CCOC2)nc(NCCO)n1 ZINC000426477388 438058977 /nfs/dbraw/zinc/05/89/77/438058977.db2.gz MBIKAJWVAKJCTP-AWEZNQCLSA-N 1 1 346.435 1.026 50 0 ECAAMO CC(C)NC(=O)CN1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426440223 438060021 /nfs/dbraw/zinc/06/00/21/438060021.db2.gz DUDQMHOJVKILKQ-ZDUSSCGKSA-N 1 1 348.451 0.209 50 0 ECAAMO Cc1nonc1OCCNC(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426438839 438060041 /nfs/dbraw/zinc/06/00/41/438060041.db2.gz KUSDWQQXVMQTOA-AWEZNQCLSA-N 1 1 348.359 0.905 50 0 ECAAMO COCC1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426510515 438062054 /nfs/dbraw/zinc/06/20/54/438062054.db2.gz WXVQWYXIUGLPHW-CQSZACIVSA-N 1 1 336.436 1.248 50 0 ECAAMO Cc1ccnc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)c1 ZINC000426700078 438071008 /nfs/dbraw/zinc/07/10/08/438071008.db2.gz QONHDQKFUMDGGB-CYBMUJFWSA-N 1 1 329.404 0.544 50 0 ECAAMO COCC(=O)NC[C@]1(NC(=O)COC)CC[N@@H+](Cc2ccccc2)C1 ZINC000408516101 438581514 /nfs/dbraw/zinc/58/15/14/438581514.db2.gz OEKQWFBTJZTXMT-GOSISDBHSA-N 1 1 349.431 0.156 50 0 ECAAMO C[C@@H](CCNC(=O)CSc1nccn1C)N1CC[NH+](C)CC1 ZINC000534639490 439530945 /nfs/dbraw/zinc/53/09/45/439530945.db2.gz IPXYCTJOKCDWCB-ZDUSSCGKSA-N 1 1 325.482 0.654 50 0 ECAAMO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000585113880 439631246 /nfs/dbraw/zinc/63/12/46/439631246.db2.gz LWHNIGMKHAOVBT-UONOGXRCSA-N 1 1 344.477 0.523 50 0 ECAAMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1CCO ZINC000187260672 534376828 /nfs/dbraw/zinc/37/68/28/534376828.db2.gz LEMNAYYOEKEORE-ZBFHGGJFSA-N 1 1 325.453 0.155 50 0 ECAAMO O=C(C[N@@H+]1CCCN(Cc2cnc3cnccn23)CC1)N1CCCC1 ZINC000129281863 534531194 /nfs/dbraw/zinc/53/11/94/534531194.db2.gz UYONKOCMOSGOPV-UHFFFAOYSA-N 1 1 342.447 0.859 50 0 ECAAMO O=C(C[N@H+]1CCCN(Cc2cnc3cnccn23)CC1)N1CCCC1 ZINC000129281863 534531202 /nfs/dbraw/zinc/53/12/02/534531202.db2.gz UYONKOCMOSGOPV-UHFFFAOYSA-N 1 1 342.447 0.859 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000174738039 529051029 /nfs/dbraw/zinc/05/10/29/529051029.db2.gz RXCHPVPAYCHQTP-HNNXBMFYSA-N 1 1 335.452 0.012 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000244831514 536074851 /nfs/dbraw/zinc/07/48/51/536074851.db2.gz UFEMOGMRSJXYNW-GFCCVEGCSA-N 1 1 328.438 0.643 50 0 ECAAMO CO[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000242197053 536642067 /nfs/dbraw/zinc/64/20/67/536642067.db2.gz XHLUUNYULAXAAN-RBSFLKMASA-N 1 1 338.452 0.502 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000084281276 545709753 /nfs/dbraw/zinc/70/97/53/545709753.db2.gz HRITXSWTSZTCKU-OAHLLOKOSA-N 1 1 345.403 0.700 50 0 ECAAMO C[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244899741 545936496 /nfs/dbraw/zinc/93/64/96/545936496.db2.gz ZPENVQZMEMAMSR-CQSZACIVSA-N 1 1 330.392 0.594 50 0 ECAAMO C[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244899741 545936503 /nfs/dbraw/zinc/93/65/03/545936503.db2.gz ZPENVQZMEMAMSR-CQSZACIVSA-N 1 1 330.392 0.594 50 0 ECAAMO C[C@H]1CN(CCO)CCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942472 549728940 /nfs/dbraw/zinc/72/89/40/549728940.db2.gz RFOFLRZHUOZORM-ZDUSSCGKSA-N 1 1 335.452 0.358 50 0 ECAAMO CCCn1cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000952978804 612139719 /nfs/dbraw/zinc/13/97/19/612139719.db2.gz TUCHDXBQXUAWEG-CQSZACIVSA-N 1 1 344.481 0.882 50 0 ECAAMO Cc1nnc([C@@H]2CC[N@@H+](CCCO)CCN2C(=O)c2cccnc2)[nH]1 ZINC000675014266 741333223 /nfs/dbraw/zinc/33/32/23/741333223.db2.gz UQNKIIFVNJBSKE-HNNXBMFYSA-N 1 1 344.419 0.780 50 0 ECAAMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051099068 214078791 /nfs/dbraw/zinc/07/87/91/214078791.db2.gz YDVYDXJBEMISPX-UHFFFAOYSA-N 1 1 338.433 0.706 50 0 ECAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000097674211 219045645 /nfs/dbraw/zinc/04/56/45/219045645.db2.gz GTUSUSMQCGVMBO-CYBMUJFWSA-N 1 1 337.445 0.953 50 0 ECAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000097674211 219045648 /nfs/dbraw/zinc/04/56/48/219045648.db2.gz GTUSUSMQCGVMBO-CYBMUJFWSA-N 1 1 337.445 0.953 50 0 ECAAMO Cc1nccn1CC1(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000055200049 214289080 /nfs/dbraw/zinc/28/90/80/214289080.db2.gz FVLLSJGKMSRUQU-CQSZACIVSA-N 1 1 333.436 0.285 50 0 ECAAMO CCc1nnc(CN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)C(C)C)o1 ZINC000055252875 214296467 /nfs/dbraw/zinc/29/64/67/214296467.db2.gz FLRGAWUYKNCHHG-LBPRGKRZSA-N 1 1 337.424 0.566 50 0 ECAAMO CCc1nnc(CN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)C(C)C)o1 ZINC000055252875 214296469 /nfs/dbraw/zinc/29/64/69/214296469.db2.gz FLRGAWUYKNCHHG-LBPRGKRZSA-N 1 1 337.424 0.566 50 0 ECAAMO Cc1nc(C2CC2)ncc1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097797359 219057915 /nfs/dbraw/zinc/05/79/15/219057915.db2.gz VDQGDOPCGABHRO-CYBMUJFWSA-N 1 1 331.420 0.590 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CCC2(CC1)C(=O)NCCN2C ZINC000067817049 215220075 /nfs/dbraw/zinc/22/00/75/215220075.db2.gz UYDRQUYCQDOTHJ-UHFFFAOYSA-N 1 1 333.436 0.258 50 0 ECAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000067867192 215235279 /nfs/dbraw/zinc/23/52/79/215235279.db2.gz VAFKSCKWUFQZDD-OAHLLOKOSA-N 1 1 339.461 0.943 50 0 ECAAMO CC(C)(C)c1cc(CN2CCN(c3cc(N)[nH+]c(N)n3)CC2)[nH]n1 ZINC000067981822 215265790 /nfs/dbraw/zinc/26/57/90/215265790.db2.gz RLXBWWASCWQTRY-UHFFFAOYSA-N 1 1 330.440 0.984 50 0 ECAAMO COC(=O)C1=NO[C@H](C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000068389446 215304468 /nfs/dbraw/zinc/30/44/68/215304468.db2.gz CQMNTTYGMFVRPQ-JSGCOSHPSA-N 1 1 341.408 0.167 50 0 ECAAMO O[C@@H](CNc1ccc2nnnn2n1)C[N@H+]1CCc2ccccc2C1 ZINC000040511148 213328400 /nfs/dbraw/zinc/32/84/00/213328400.db2.gz BWZGTFVJQOHGGN-AWEZNQCLSA-N 1 1 325.376 0.350 50 0 ECAAMO O=C(Cc1c[nH]c2ncccc12)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186612839 235959023 /nfs/dbraw/zinc/95/90/23/235959023.db2.gz VTEJKQMSKYCIRP-AWEZNQCLSA-N 1 1 341.415 0.528 50 0 ECAAMO CCc1nc(CN2CC[NH+](CCCS(=O)(=O)NC)CC2)cs1 ZINC000071915647 215962118 /nfs/dbraw/zinc/96/21/18/215962118.db2.gz VXEHRUCHYBHPLU-UHFFFAOYSA-N 1 1 346.522 0.762 50 0 ECAAMO O=C(Cc1cn2ccsc2n1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072134381 216023851 /nfs/dbraw/zinc/02/38/51/216023851.db2.gz UJKBXOFLZPLDOS-GFCCVEGCSA-N 1 1 333.417 0.017 50 0 ECAAMO CCc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072156385 216045137 /nfs/dbraw/zinc/04/51/37/216045137.db2.gz UBHMOPFCQHIFGQ-INIZCTEOSA-N 1 1 331.416 0.522 50 0 ECAAMO C[NH+]1CCN(CCC(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000072404377 216196134 /nfs/dbraw/zinc/19/61/34/216196134.db2.gz NGQJGACUKZIVKG-UHFFFAOYSA-N 1 1 328.420 0.902 50 0 ECAAMO Cc1nn2c(nc(C)cc2N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000072438197 216232016 /nfs/dbraw/zinc/23/20/16/216232016.db2.gz BWYADZBADQGLSK-HOTGVXAUSA-N 1 1 345.447 0.926 50 0 ECAAMO O=C(CCCn1cnnn1)N1CCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072454022 216240910 /nfs/dbraw/zinc/24/09/10/216240910.db2.gz SPFDOIIZKCSEQT-UHFFFAOYSA-N 1 1 344.423 0.288 50 0 ECAAMO CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(C)C ZINC000023159481 212356589 /nfs/dbraw/zinc/35/65/89/212356589.db2.gz IDRQRNMXEPGBOP-INIZCTEOSA-N 1 1 349.479 0.968 50 0 ECAAMO CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000023159481 212356592 /nfs/dbraw/zinc/35/65/92/212356592.db2.gz IDRQRNMXEPGBOP-INIZCTEOSA-N 1 1 349.479 0.968 50 0 ECAAMO C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OCC(=O)[O-])C2)CC1 ZINC000215848386 241150352 /nfs/dbraw/zinc/15/03/52/241150352.db2.gz XLEPCTLERRDOCU-INIZCTEOSA-N 1 1 333.432 0.972 50 0 ECAAMO C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)CC1 ZINC000215848386 241150356 /nfs/dbraw/zinc/15/03/56/241150356.db2.gz XLEPCTLERRDOCU-INIZCTEOSA-N 1 1 333.432 0.972 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229544812 242175533 /nfs/dbraw/zinc/17/55/33/242175533.db2.gz NOICWJZRQCBQMT-GDBMZVCRSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544812 242175538 /nfs/dbraw/zinc/17/55/38/242175538.db2.gz NOICWJZRQCBQMT-GDBMZVCRSA-N 1 1 346.431 0.278 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](C[C@@H](O)COCc3ccco3)C2)n[nH]1 ZINC000229830649 242206850 /nfs/dbraw/zinc/20/68/50/242206850.db2.gz DUTGEMSPMUPXEK-CHWSQXEVSA-N 1 1 348.403 0.859 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000230242939 242255825 /nfs/dbraw/zinc/25/58/25/242255825.db2.gz VLMBDXXNKVAYBF-GJZGRUSLSA-N 1 1 341.477 0.352 50 0 ECAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000020813811 212174547 /nfs/dbraw/zinc/17/45/47/212174547.db2.gz RVAUDRIZRQSKDQ-LLVKDONJSA-N 1 1 330.388 0.542 50 0 ECAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000020813811 212174551 /nfs/dbraw/zinc/17/45/51/212174551.db2.gz RVAUDRIZRQSKDQ-LLVKDONJSA-N 1 1 330.388 0.542 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000020680709 212162698 /nfs/dbraw/zinc/16/26/98/212162698.db2.gz JYFWGDBMZRPDLO-GFCCVEGCSA-N 1 1 325.434 0.682 50 0 ECAAMO Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019890781 212079999 /nfs/dbraw/zinc/07/99/99/212079999.db2.gz CBJLRDFJZNRSCC-CQSZACIVSA-N 1 1 329.404 0.425 50 0 ECAAMO COc1cc(NC(=O)CC[NH+]2CCN(CCO)CC2)cc(OC)c1 ZINC000019841475 212073992 /nfs/dbraw/zinc/07/39/92/212073992.db2.gz WJXXLQYTSJZGOL-UHFFFAOYSA-N 1 1 337.420 0.642 50 0 ECAAMO CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019831228 212072797 /nfs/dbraw/zinc/07/27/97/212072797.db2.gz LMTYGPJYHABHOV-UHFFFAOYSA-N 1 1 335.404 0.862 50 0 ECAAMO C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000049551727 214019029 /nfs/dbraw/zinc/01/90/29/214019029.db2.gz RTMPVIOKCJOLNL-ZDUSSCGKSA-N 1 1 333.432 0.952 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000012074905 211287091 /nfs/dbraw/zinc/28/70/91/211287091.db2.gz NVGNPHXCGHNELH-MRXNPFEDSA-N 1 1 333.432 0.606 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000012074905 211287093 /nfs/dbraw/zinc/28/70/93/211287093.db2.gz NVGNPHXCGHNELH-MRXNPFEDSA-N 1 1 333.432 0.606 50 0 ECAAMO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC1 ZINC000091468841 218010910 /nfs/dbraw/zinc/01/09/10/218010910.db2.gz PHHKDFBPEKCULJ-HNNXBMFYSA-N 1 1 345.447 0.236 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(c2ncnc3onc(C)c32)C[C@@H]1CO ZINC000091574423 218023640 /nfs/dbraw/zinc/02/36/40/218023640.db2.gz WEDFJSLTEFLGEH-CHWSQXEVSA-N 1 1 335.408 0.285 50 0 ECAAMO Cc1ccc[nH+]c1N1CCN(C(=O)Cn2nc(C)c(C)cc2=O)CC1 ZINC000095373808 218306708 /nfs/dbraw/zinc/30/67/08/218306708.db2.gz OMEUYSVLBPTLPK-UHFFFAOYSA-N 1 1 341.415 0.912 50 0 ECAAMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000095430341 218372484 /nfs/dbraw/zinc/37/24/84/218372484.db2.gz OQNGKVDKTHDDRO-MRXNPFEDSA-N 1 1 328.416 0.573 50 0 ECAAMO Cn1cc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000095430341 218372486 /nfs/dbraw/zinc/37/24/86/218372486.db2.gz OQNGKVDKTHDDRO-MRXNPFEDSA-N 1 1 328.416 0.573 50 0 ECAAMO Cn1cc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000095430341 218372489 /nfs/dbraw/zinc/37/24/89/218372489.db2.gz OQNGKVDKTHDDRO-MRXNPFEDSA-N 1 1 328.416 0.573 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cnc3cccc(C)n3c2=O)C1 ZINC000299780969 258089405 /nfs/dbraw/zinc/08/94/05/258089405.db2.gz CFYYTTWASJCHSJ-CQSZACIVSA-N 1 1 344.415 0.701 50 0 ECAAMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299781100 258090119 /nfs/dbraw/zinc/09/01/19/258090119.db2.gz HKBQXMQZKJJEQK-CHWSQXEVSA-N 1 1 334.380 0.083 50 0 ECAAMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299781100 258090121 /nfs/dbraw/zinc/09/01/21/258090121.db2.gz HKBQXMQZKJJEQK-CHWSQXEVSA-N 1 1 334.380 0.083 50 0 ECAAMO CNC(=O)Cc1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1 ZINC000299785679 258093196 /nfs/dbraw/zinc/09/31/96/258093196.db2.gz LLYFBQKIWJOPKU-INIZCTEOSA-N 1 1 348.447 0.943 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1nc2ccccc2[nH]c1=O ZINC000299766925 258081262 /nfs/dbraw/zinc/08/12/62/258081262.db2.gz DIUHOSDCECQHOH-LBPRGKRZSA-N 1 1 330.388 0.770 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccncn2)CC1 ZINC000299767076 258081383 /nfs/dbraw/zinc/08/13/83/258081383.db2.gz DOBFYUFLNMBFQN-INIZCTEOSA-N 1 1 345.447 0.782 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccncn2)CC1 ZINC000299767076 258081385 /nfs/dbraw/zinc/08/13/85/258081385.db2.gz DOBFYUFLNMBFQN-INIZCTEOSA-N 1 1 345.447 0.782 50 0 ECAAMO O=C([C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1)N1CCOCC1 ZINC000036249990 304290334 /nfs/dbraw/zinc/29/03/34/304290334.db2.gz BYJPMYPRORNUCT-QGZVFWFLSA-N 1 1 349.475 0.958 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000065550726 292181885 /nfs/dbraw/zinc/18/18/85/292181885.db2.gz XJBKOJNCJWIFLW-UONOGXRCSA-N 1 1 339.461 0.859 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000065550726 292181888 /nfs/dbraw/zinc/18/18/88/292181888.db2.gz XJBKOJNCJWIFLW-UONOGXRCSA-N 1 1 339.461 0.859 50 0 ECAAMO COc1cc(OC)cc(C(=O)N2CCOC[C@@H]2C[N@@H+](C)CCO)c1 ZINC000085469853 286240917 /nfs/dbraw/zinc/24/09/17/286240917.db2.gz TUYPWIZYUDNTAU-AWEZNQCLSA-N 1 1 338.404 0.469 50 0 ECAAMO CC1(C)CNC(=O)c2[nH]c(CC[N@H+]3CCC[C@H](C(N)=O)C3)nc2C1 ZINC000065525651 276137946 /nfs/dbraw/zinc/13/79/46/276137946.db2.gz WVZXCSBGGZLBAB-NSHDSACASA-N 1 1 333.436 0.462 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)s1 ZINC000193353992 277034489 /nfs/dbraw/zinc/03/44/89/277034489.db2.gz RIOWQTQZFOJXGF-SNVBAGLBSA-N 1 1 331.463 0.409 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000072238002 279348414 /nfs/dbraw/zinc/34/84/14/279348414.db2.gz MFDDTHCIGLSXGT-IRXDYDNUSA-N 1 1 331.416 0.749 50 0 ECAAMO CC[C@H]1COCCN1C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000077320113 281206300 /nfs/dbraw/zinc/20/63/00/281206300.db2.gz MAOKGLSRCZAETQ-AWEZNQCLSA-N 1 1 333.436 0.788 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@H](C)O1 ZINC000058283585 297013326 /nfs/dbraw/zinc/01/33/26/297013326.db2.gz UFUGTQFKZNJTPU-MJBXVCDLSA-N 1 1 336.436 0.695 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@H](C)O1 ZINC000058283585 297013328 /nfs/dbraw/zinc/01/33/28/297013328.db2.gz UFUGTQFKZNJTPU-MJBXVCDLSA-N 1 1 336.436 0.695 50 0 ECAAMO CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000332276285 297025020 /nfs/dbraw/zinc/02/50/20/297025020.db2.gz DJSSZIAQGVCUFT-XUWVNRHRSA-N 1 1 341.452 0.400 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106583101 298132177 /nfs/dbraw/zinc/13/21/77/298132177.db2.gz FSKUOCYHKMUTRH-JHJVBQTASA-N 1 1 326.441 0.391 50 0 ECAAMO CC(=O)c1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000069703371 435960410 /nfs/dbraw/zinc/96/04/10/435960410.db2.gz YNFIARPGKGJHLA-KRWDZBQOSA-N 1 1 348.447 0.961 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000069780104 435965842 /nfs/dbraw/zinc/96/58/42/435965842.db2.gz OOBJZHFZRSDCTN-UHFFFAOYSA-N 1 1 330.432 0.887 50 0 ECAAMO Cc1nnc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)o1 ZINC000069770310 435966010 /nfs/dbraw/zinc/96/60/10/435966010.db2.gz GLZZKYOWZFGGCV-OAHLLOKOSA-N 1 1 332.404 0.936 50 0 ECAAMO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N(C)C ZINC000069897408 435974100 /nfs/dbraw/zinc/97/41/00/435974100.db2.gz CXERCRCYOVSGRZ-CQSZACIVSA-N 1 1 348.447 0.795 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000069951965 435979674 /nfs/dbraw/zinc/97/96/74/435979674.db2.gz QSYDVTQMINTHTI-UHFFFAOYSA-N 1 1 336.421 0.253 50 0 ECAAMO CCCNC(=O)NC(=O)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000070040257 435986663 /nfs/dbraw/zinc/98/66/63/435986663.db2.gz ALPLTLDRWIILLR-INIZCTEOSA-N 1 1 348.447 0.573 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069652200 435955211 /nfs/dbraw/zinc/95/52/11/435955211.db2.gz SKGIDGUDMUADTK-CQSZACIVSA-N 1 1 331.424 0.382 50 0 ECAAMO CCCCn1c2nc(C[NH2+]CCOC)n(CCC)c2c(=O)[nH]c1=O ZINC000006583849 436001127 /nfs/dbraw/zinc/00/11/27/436001127.db2.gz ROKPBQAIPRPUMB-UHFFFAOYSA-N 1 1 337.424 0.832 50 0 ECAAMO CNc1nc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)[nH+]c2c1CCC2 ZINC000071754071 436009188 /nfs/dbraw/zinc/00/91/88/436009188.db2.gz KSWPYHASDWLRSV-HUUCEWRRSA-N 1 1 333.436 0.279 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COCCOc2ccccc2)CC1 ZINC000071803494 436014182 /nfs/dbraw/zinc/01/41/82/436014182.db2.gz DABLWJXDCXZEPC-UHFFFAOYSA-N 1 1 335.404 0.148 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000071871049 436020794 /nfs/dbraw/zinc/02/07/94/436020794.db2.gz MYRGGFOUQAIVJP-OAHLLOKOSA-N 1 1 345.443 0.948 50 0 ECAAMO Cc1nc(CN2CCC[N@H+](CCCS(=O)(=O)N(C)C)CC2)no1 ZINC000071871627 436021427 /nfs/dbraw/zinc/02/14/27/436021427.db2.gz OTIXZDNICUIOGB-UHFFFAOYSA-N 1 1 345.469 0.167 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000071871045 436021803 /nfs/dbraw/zinc/02/18/03/436021803.db2.gz PJSQUNIDSHMKLC-LLVKDONJSA-N 1 1 347.337 0.392 50 0 ECAAMO CNC(=O)C1(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC000071879508 436025370 /nfs/dbraw/zinc/02/53/70/436025370.db2.gz VKUKRTABLIUOEK-UHFFFAOYSA-N 1 1 333.436 0.371 50 0 ECAAMO CNC(=O)C1(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC000071879508 436025372 /nfs/dbraw/zinc/02/53/72/436025372.db2.gz VKUKRTABLIUOEK-UHFFFAOYSA-N 1 1 333.436 0.371 50 0 ECAAMO COCC[N@@H+](C)CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000071916708 436031221 /nfs/dbraw/zinc/03/12/21/436031221.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 1 1 349.475 0.972 50 0 ECAAMO C[NH+]1CCN(c2ncc3c(ccn(Cc4cccnc4)c3=O)n2)CC1 ZINC000009265842 436035441 /nfs/dbraw/zinc/03/54/41/436035441.db2.gz SHBZPNWVXHXCPG-UHFFFAOYSA-N 1 1 336.399 0.987 50 0 ECAAMO C[C@@H]1C[N@@H+](CCNc2cc(N3CCC[C@@H]3CO)ncn2)C[C@H](C)O1 ZINC000072276052 436040171 /nfs/dbraw/zinc/04/01/71/436040171.db2.gz XUODVERIWBWGAM-QLFBSQMISA-N 1 1 335.452 0.959 50 0 ECAAMO C[C@@H]1C[N@H+](CCNc2cc(N3CCC[C@@H]3CO)ncn2)C[C@H](C)O1 ZINC000072276052 436040174 /nfs/dbraw/zinc/04/01/74/436040174.db2.gz XUODVERIWBWGAM-QLFBSQMISA-N 1 1 335.452 0.959 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1nnc(C2CC2)s1 ZINC000072271486 436040681 /nfs/dbraw/zinc/04/06/81/436040681.db2.gz LVJJTBPCVIMTIO-JTQLQIEISA-N 1 1 338.437 0.877 50 0 ECAAMO COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072419287 436045777 /nfs/dbraw/zinc/04/57/77/436045777.db2.gz WAVGJOZXHFYWCN-MRXNPFEDSA-N 1 1 346.435 0.622 50 0 ECAAMO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072476954 436046983 /nfs/dbraw/zinc/04/69/83/436046983.db2.gz FVNLVAWHHQBRMO-GOSISDBHSA-N 1 1 339.399 0.396 50 0 ECAAMO c1ccc(-n2nnnc2NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000012738263 436053665 /nfs/dbraw/zinc/05/36/65/436053665.db2.gz ZEQVSLQUNHXVDG-HOCLYGCPSA-N 1 1 344.419 0.812 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000012765370 436054004 /nfs/dbraw/zinc/05/40/04/436054004.db2.gz GGNPZSDUNHMKFY-UHFFFAOYSA-N 1 1 332.404 0.856 50 0 ECAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCOc1cccnc1 ZINC000015066054 436078333 /nfs/dbraw/zinc/07/83/33/436078333.db2.gz VSRADTYCOXZPBT-OAHLLOKOSA-N 1 1 334.420 0.423 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000025227726 436147364 /nfs/dbraw/zinc/14/73/64/436147364.db2.gz UVEGGOXNXNZBGH-UHFFFAOYSA-N 1 1 342.399 0.468 50 0 ECAAMO Cc1ccccc1[C@@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)NC(N)=O ZINC000075131212 436151278 /nfs/dbraw/zinc/15/12/78/436151278.db2.gz LBRGYHUJEBRGPB-GDBMZVCRSA-N 1 1 348.447 0.620 50 0 ECAAMO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132933 436152323 /nfs/dbraw/zinc/15/23/23/436152323.db2.gz LOCIVAAAAYQBRV-DZGCQCFKSA-N 1 1 338.452 0.502 50 0 ECAAMO Cc1nn(C)c2nc(C)cc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c12 ZINC000025518126 436153888 /nfs/dbraw/zinc/15/38/88/436153888.db2.gz XFYCGYQFNPDAQC-UHFFFAOYSA-N 1 1 344.419 0.265 50 0 ECAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCC3(CN(C)C(=O)O3)CC2)C1 ZINC000077453493 436237787 /nfs/dbraw/zinc/23/77/87/436237787.db2.gz BYIVLYLERHVSRC-CQSZACIVSA-N 1 1 338.452 0.456 50 0 ECAAMO CN(CCC(=O)N1CCC2(CN(C)C(=O)O2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000077453493 436237789 /nfs/dbraw/zinc/23/77/89/436237789.db2.gz BYIVLYLERHVSRC-CQSZACIVSA-N 1 1 338.452 0.456 50 0 ECAAMO CN(CCC(=O)N1CCC2(CN(C)C(=O)O2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000077453493 436237794 /nfs/dbraw/zinc/23/77/94/436237794.db2.gz BYIVLYLERHVSRC-CQSZACIVSA-N 1 1 338.452 0.456 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000029976210 436215051 /nfs/dbraw/zinc/21/50/51/436215051.db2.gz YLAPDKVICFSGIZ-JTQLQIEISA-N 1 1 342.421 0.173 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nc2n1 ZINC000078789206 436278730 /nfs/dbraw/zinc/27/87/30/436278730.db2.gz IDFYQIBZRFABTK-ZIAGYGMSSA-N 1 1 344.419 0.412 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[NH+](CCO)CC2)c1 ZINC000042287335 436299847 /nfs/dbraw/zinc/29/98/47/436299847.db2.gz CFEYLXNWNBYDRZ-MRXNPFEDSA-N 1 1 335.448 0.488 50 0 ECAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cn2ccccc2n1 ZINC000044911422 436352839 /nfs/dbraw/zinc/35/28/39/436352839.db2.gz FKVUJTOQFNQCGD-HOCLYGCPSA-N 1 1 344.415 0.801 50 0 ECAAMO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1C(N)=O ZINC000044937450 436354159 /nfs/dbraw/zinc/35/41/59/436354159.db2.gz QOZAWJGTVWHVMB-UHFFFAOYSA-N 1 1 325.434 0.858 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759614 436316965 /nfs/dbraw/zinc/31/69/65/436316965.db2.gz WJIJVSKAXSOPCG-CVEARBPZSA-N 1 1 334.420 0.618 50 0 ECAAMO O=C(NCc1ccccn1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759603 436317164 /nfs/dbraw/zinc/31/71/64/436317164.db2.gz LMBVYZUTHRHIDD-HOCLYGCPSA-N 1 1 334.420 0.618 50 0 ECAAMO O=C(c1ccc2[nH]nnc2c1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000082133874 436361623 /nfs/dbraw/zinc/36/16/23/436361623.db2.gz XSRBWPABJJHJJJ-QGZVFWFLSA-N 1 1 340.431 0.810 50 0 ECAAMO CS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230482 436363856 /nfs/dbraw/zinc/36/38/56/436363856.db2.gz BBXTZJKTIVZJDL-UHFFFAOYSA-N 1 1 325.438 0.549 50 0 ECAAMO O=C1COc2ccc(S(=O)(=O)NCC[NH+]3CCCCC3)cc2N1 ZINC000046034736 436383010 /nfs/dbraw/zinc/38/30/10/436383010.db2.gz WVHGGUVXOLMINT-UHFFFAOYSA-N 1 1 339.417 0.782 50 0 ECAAMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000046166371 436387065 /nfs/dbraw/zinc/38/70/65/436387065.db2.gz JVKCTOKEAPBXCM-AWEZNQCLSA-N 1 1 325.434 0.393 50 0 ECAAMO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000046166371 436387070 /nfs/dbraw/zinc/38/70/70/436387070.db2.gz JVKCTOKEAPBXCM-AWEZNQCLSA-N 1 1 325.434 0.393 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000047073309 436410425 /nfs/dbraw/zinc/41/04/25/436410425.db2.gz GRIHQGWPLJATCD-UHFFFAOYSA-N 1 1 342.399 0.137 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnc3ccccc3n2)CC1 ZINC000046448988 436394954 /nfs/dbraw/zinc/39/49/54/436394954.db2.gz XGDJRKVGXQAWHQ-UHFFFAOYSA-N 1 1 327.388 0.570 50 0 ECAAMO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000048262361 436446312 /nfs/dbraw/zinc/44/63/12/436446312.db2.gz ODBMQOATPWKXOS-UONOGXRCSA-N 1 1 336.388 0.633 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cc(-c3ccccn3)no2)C1 ZINC000091254611 436448117 /nfs/dbraw/zinc/44/81/17/436448117.db2.gz JKRKKQHCGMHQTM-GFCCVEGCSA-N 1 1 343.387 0.550 50 0 ECAAMO CCC[C@H]1C[N@H+](Cc2ccc(C(=O)NC)o2)C[C@@H]1NS(C)(=O)=O ZINC000091350564 436449474 /nfs/dbraw/zinc/44/94/74/436449474.db2.gz SPCAZELWQIZGGI-AAEUAGOBSA-N 1 1 343.449 0.789 50 0 ECAAMO CCC[C@H]1C[N@@H+](Cc2ccc(C(=O)NC)o2)C[C@@H]1NS(C)(=O)=O ZINC000091350564 436449476 /nfs/dbraw/zinc/44/94/76/436449476.db2.gz SPCAZELWQIZGGI-AAEUAGOBSA-N 1 1 343.449 0.789 50 0 ECAAMO Cc1nn(CC(=O)NC[C@H]2COCC[N@H+](C)C2)c(=O)c2ccccc12 ZINC000091643359 436456720 /nfs/dbraw/zinc/45/67/20/436456720.db2.gz HOUNBBFMYMKRLV-CQSZACIVSA-N 1 1 344.415 0.399 50 0 ECAAMO CCn1nc(C)cc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091663328 436457651 /nfs/dbraw/zinc/45/76/51/436457651.db2.gz LQYYJPLXKFDOKZ-HZPDHXFCSA-N 1 1 349.479 0.139 50 0 ECAAMO CC(C)N1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](CCn3cncn3)C2)C1=O ZINC000089869775 436418656 /nfs/dbraw/zinc/41/86/56/436418656.db2.gz KHEQAJPLNSITKZ-BBRMVZONSA-N 1 1 334.424 0.709 50 0 ECAAMO O=C(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccncc1 ZINC000089884974 436419095 /nfs/dbraw/zinc/41/90/95/436419095.db2.gz SPFXMICWMOQNLY-OAHLLOKOSA-N 1 1 333.436 0.857 50 0 ECAAMO O=C(CCCn1cnc2ccccc2c1=O)N1CC[NH+](CCO)CC1 ZINC000089866526 436419895 /nfs/dbraw/zinc/41/98/95/436419895.db2.gz ASVAXGDVGYMUNR-UHFFFAOYSA-N 1 1 344.415 0.313 50 0 ECAAMO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)s1 ZINC000051098887 436481115 /nfs/dbraw/zinc/48/11/15/436481115.db2.gz RPKJVJNREGNEGD-SNVBAGLBSA-N 1 1 338.433 0.834 50 0 ECAAMO O=C(CCn1cccn1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095431029 436494468 /nfs/dbraw/zinc/49/44/68/436494468.db2.gz BETFXIMTZYXOIR-KRWDZBQOSA-N 1 1 328.416 0.809 50 0 ECAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095407667 436495028 /nfs/dbraw/zinc/49/50/28/436495028.db2.gz VBZZJDSKMLAXBD-GJZGRUSLSA-N 1 1 342.399 0.414 50 0 ECAAMO CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)on1 ZINC000095518159 436497337 /nfs/dbraw/zinc/49/73/37/436497337.db2.gz IHHAISPIFSYTMG-GXTWGEPZSA-N 1 1 334.420 0.748 50 0 ECAAMO CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)on1 ZINC000095518159 436497340 /nfs/dbraw/zinc/49/73/40/436497340.db2.gz IHHAISPIFSYTMG-GXTWGEPZSA-N 1 1 334.420 0.748 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(CO)cc2)C[N@@H+]1C ZINC000095529449 436500014 /nfs/dbraw/zinc/50/00/14/436500014.db2.gz NKGNLPPRBOJTDC-SJORKVTESA-N 1 1 347.459 0.779 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(CO)cc2)C[N@H+]1C ZINC000095529449 436500019 /nfs/dbraw/zinc/50/00/19/436500019.db2.gz NKGNLPPRBOJTDC-SJORKVTESA-N 1 1 347.459 0.779 50 0 ECAAMO COc1cccc(CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000052215443 436504364 /nfs/dbraw/zinc/50/43/64/436504364.db2.gz WKAMDAQVSCQATF-UHFFFAOYSA-N 1 1 346.431 0.801 50 0 ECAAMO CCn1c(=O)[nH]c2cc(C(=O)N3CCC[N@@H+](CC)CC3)ccc2c1=O ZINC000096405371 436532665 /nfs/dbraw/zinc/53/26/65/436532665.db2.gz KONXPXUPHAWQLD-UHFFFAOYSA-N 1 1 344.415 0.878 50 0 ECAAMO Cc1cnc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000096475981 436533164 /nfs/dbraw/zinc/53/31/64/436533164.db2.gz TTWIPOSSXPBZQU-MRXNPFEDSA-N 1 1 326.400 0.934 50 0 ECAAMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000097051814 436538731 /nfs/dbraw/zinc/53/87/31/436538731.db2.gz VYYBQQAWFWCLAQ-OAHLLOKOSA-N 1 1 349.460 0.996 50 0 ECAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000097051814 436538735 /nfs/dbraw/zinc/53/87/35/436538735.db2.gz VYYBQQAWFWCLAQ-OAHLLOKOSA-N 1 1 349.460 0.996 50 0 ECAAMO Cc1ccccc1CC(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000058330617 436624443 /nfs/dbraw/zinc/62/44/43/436624443.db2.gz XXHHRPXYKVCVKK-UHFFFAOYSA-N 1 1 332.404 0.267 50 0 ECAAMO Cn1nccc1C1CC[NH+](CC(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000058341183 436624447 /nfs/dbraw/zinc/62/44/47/436624447.db2.gz ASYOPVYGMZHYNQ-AWEZNQCLSA-N 1 1 333.436 0.384 50 0 ECAAMO Cc1ccc2nc(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cc(=O)n2c1 ZINC000106867979 436602651 /nfs/dbraw/zinc/60/26/51/436602651.db2.gz IQWAJAVCFSQJSO-GJZGRUSLSA-N 1 1 330.432 0.890 50 0 ECAAMO Cc1nn2c(nc(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cc2=O)s1 ZINC000106906598 436605180 /nfs/dbraw/zinc/60/51/80/436605180.db2.gz TUEKHKJPUIHSSN-QWRGUYRKSA-N 1 1 337.449 0.346 50 0 ECAAMO O=C(C[N@H+]1CC[C@H](O)C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000113502991 436638060 /nfs/dbraw/zinc/63/80/60/436638060.db2.gz ZWGPILDNRNGUQQ-INIZCTEOSA-N 1 1 337.464 0.741 50 0 ECAAMO O=C(C[N@@H+]1CC[C@H](O)C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000113502991 436638062 /nfs/dbraw/zinc/63/80/62/436638062.db2.gz ZWGPILDNRNGUQQ-INIZCTEOSA-N 1 1 337.464 0.741 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1(Cn2cccn2)CC1 ZINC000065387910 436658322 /nfs/dbraw/zinc/65/83/22/436658322.db2.gz LPQLOXRXTYFMJJ-AWEZNQCLSA-N 1 1 333.436 0.378 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1(Cn2cccn2)CC1 ZINC000065387910 436658326 /nfs/dbraw/zinc/65/83/26/436658326.db2.gz LPQLOXRXTYFMJJ-AWEZNQCLSA-N 1 1 333.436 0.378 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000220115623 436698960 /nfs/dbraw/zinc/69/89/60/436698960.db2.gz CUWGEBKNLHQSHV-LBPRGKRZSA-N 1 1 332.408 0.473 50 0 ECAAMO CS(=O)(=O)N1CCN(C(=O)NCCn2cc[nH+]c2C2CC2)C1=O ZINC000225568106 436711598 /nfs/dbraw/zinc/71/15/98/436711598.db2.gz MFNNQNJUGLBJCP-UHFFFAOYSA-N 1 1 341.393 0.167 50 0 ECAAMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000065449036 436661386 /nfs/dbraw/zinc/66/13/86/436661386.db2.gz KTPIMMLNADJIFD-CYBMUJFWSA-N 1 1 339.461 0.489 50 0 ECAAMO Cn1ncc2c1ncn(C[C@H](O)C[N@@H+](C)Cc1ccccc1)c2=O ZINC000065523539 436666900 /nfs/dbraw/zinc/66/69/00/436666900.db2.gz KQPBMAPMHGXMAV-CQSZACIVSA-N 1 1 327.388 0.623 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@H]2C1 ZINC000272564682 436719112 /nfs/dbraw/zinc/71/91/12/436719112.db2.gz KBZDKCMJEBXDOH-ZBFHGGJFSA-N 1 1 346.431 0.786 50 0 ECAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067788005 436723300 /nfs/dbraw/zinc/72/33/00/436723300.db2.gz KRBROYCDQIFPIV-SNVBAGLBSA-N 1 1 329.356 0.967 50 0 ECAAMO O=C(CCn1cccn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000241081867 436758987 /nfs/dbraw/zinc/75/89/87/436758987.db2.gz YRNAXRPIOOWTPI-HZPDHXFCSA-N 1 1 329.404 0.420 50 0 ECAAMO O=C(CCn1cccn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000241081867 436758992 /nfs/dbraw/zinc/75/89/92/436758992.db2.gz YRNAXRPIOOWTPI-HZPDHXFCSA-N 1 1 329.404 0.420 50 0 ECAAMO C[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000229712570 436717158 /nfs/dbraw/zinc/71/71/58/436717158.db2.gz FKZZCVBHCPYZIY-MGPQQGTHSA-N 1 1 331.482 0.647 50 0 ECAAMO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC000069534963 436779749 /nfs/dbraw/zinc/77/97/49/436779749.db2.gz DEIFZWONDXLIRP-CQSZACIVSA-N 1 1 336.436 0.509 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCc3cncnc3C2)C1 ZINC000069560869 436780377 /nfs/dbraw/zinc/78/03/77/436780377.db2.gz VWMIAOWVTSPZHZ-MRXNPFEDSA-N 1 1 347.463 0.308 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(N2CCNC2=O)CC1 ZINC000069560260 436780625 /nfs/dbraw/zinc/78/06/25/436780625.db2.gz GTLHQHILHAVSEE-SFHVURJKSA-N 1 1 346.475 0.969 50 0 ECAAMO CN(Cc1ccccc1)C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000069560260 436780630 /nfs/dbraw/zinc/78/06/30/436780630.db2.gz GTLHQHILHAVSEE-SFHVURJKSA-N 1 1 346.475 0.969 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069569309 436781437 /nfs/dbraw/zinc/78/14/37/436781437.db2.gz ZPUJADZJIMJRDU-AWEZNQCLSA-N 1 1 345.399 0.970 50 0 ECAAMO CO[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000252539699 436838446 /nfs/dbraw/zinc/83/84/46/436838446.db2.gz OJXOKTFSHKWKJP-RRFJBIMHSA-N 1 1 340.468 0.783 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000253377629 436839556 /nfs/dbraw/zinc/83/95/56/436839556.db2.gz XRRHKODIUDSXCZ-OAGGEKHMSA-N 1 1 347.463 0.850 50 0 ECAAMO CC[N@H+]1CCC[C@@](O)(CN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000253388869 436839884 /nfs/dbraw/zinc/83/98/84/436839884.db2.gz YGURYQVPHZCFHK-WBVHZDCISA-N 1 1 325.453 0.156 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417133 436843923 /nfs/dbraw/zinc/84/39/23/436843923.db2.gz UYVQUWXHIAJUBN-CJNGLKHVSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417133 436843925 /nfs/dbraw/zinc/84/39/25/436843925.db2.gz UYVQUWXHIAJUBN-CJNGLKHVSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@@H]2CC[N@@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417133 436843926 /nfs/dbraw/zinc/84/39/26/436843926.db2.gz UYVQUWXHIAJUBN-CJNGLKHVSA-N 1 1 339.461 0.739 50 0 ECAAMO C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000253410800 436844665 /nfs/dbraw/zinc/84/46/65/436844665.db2.gz NSVRVPSVHASBKZ-AWEZNQCLSA-N 1 1 330.388 0.666 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000257174533 436855061 /nfs/dbraw/zinc/85/50/61/436855061.db2.gz HXYXYOWOYFBPNC-SJORKVTESA-N 1 1 349.479 0.610 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)CN1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000257174533 436855066 /nfs/dbraw/zinc/85/50/66/436855066.db2.gz HXYXYOWOYFBPNC-SJORKVTESA-N 1 1 349.479 0.610 50 0 ECAAMO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000252489889 436833478 /nfs/dbraw/zinc/83/34/78/436833478.db2.gz KEKIWGVUPCYELK-AWEZNQCLSA-N 1 1 335.452 0.889 50 0 ECAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000252489889 436833480 /nfs/dbraw/zinc/83/34/80/436833480.db2.gz KEKIWGVUPCYELK-AWEZNQCLSA-N 1 1 335.452 0.889 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000252504995 436835473 /nfs/dbraw/zinc/83/54/73/436835473.db2.gz HPGWGIGEDIPEDL-CABCVRRESA-N 1 1 337.468 0.431 50 0 ECAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000180431595 437288570 /nfs/dbraw/zinc/28/85/70/437288570.db2.gz VWVQVXNOEBQJHP-BXUZGUMPSA-N 1 1 338.433 0.892 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)c(C)n2n1 ZINC000416292283 437904344 /nfs/dbraw/zinc/90/43/44/437904344.db2.gz IPOJSJCOSKBCTE-QWHCGFSZSA-N 1 1 331.420 0.873 50 0 ECAAMO Cc1cc2ncc(C(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)c(C)n2n1 ZINC000416292283 437904351 /nfs/dbraw/zinc/90/43/51/437904351.db2.gz IPOJSJCOSKBCTE-QWHCGFSZSA-N 1 1 331.420 0.873 50 0 ECAAMO C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000426440346 438059578 /nfs/dbraw/zinc/05/95/78/438059578.db2.gz RYXDWXXUZIXCKK-AWEZNQCLSA-N 1 1 340.431 0.900 50 0 ECAAMO CN(CC1(CO)CCC1)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426496613 438062090 /nfs/dbraw/zinc/06/20/90/438062090.db2.gz BSVHFSHOHJIOPU-CYBMUJFWSA-N 1 1 336.436 0.984 50 0 ECAAMO CN(CCO)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426494368 438062173 /nfs/dbraw/zinc/06/21/73/438062173.db2.gz SICSYLNCIIUJDD-RMXPPQQLSA-N 1 1 344.459 0.188 50 0 ECAAMO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378415199 438385587 /nfs/dbraw/zinc/38/55/87/438385587.db2.gz FQSTZUQAYJOXQD-QAPCUYQASA-N 1 1 342.443 0.577 50 0 ECAAMO CCn1cc(S(=O)(=O)NCc2cn(-c3cc[nH+]cc3)nn2)nc1C ZINC000390832037 438433073 /nfs/dbraw/zinc/43/30/73/438433073.db2.gz WSYRBECHKUXKKT-UHFFFAOYSA-N 1 1 347.404 0.666 50 0 ECAAMO CCCc1nnsc1C(=O)N[C@H]1COC[C@@H]1N1CC[NH+](C)CC1 ZINC000534642246 439531947 /nfs/dbraw/zinc/53/19/47/439531947.db2.gz DDUBWBQZYJPRBM-STQMWFEESA-N 1 1 339.465 0.235 50 0 ECAAMO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)CC(C)(C)CN1CCOCC1 ZINC000585117674 439631870 /nfs/dbraw/zinc/63/18/70/439631870.db2.gz QSQJYMXIGIQABB-UHFFFAOYSA-N 1 1 345.465 0.717 50 0 ECAAMO COc1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)cc(OC)c1 ZINC000012761359 522413465 /nfs/dbraw/zinc/41/34/65/522413465.db2.gz BLQHVRYQPGFSKV-MRXNPFEDSA-N 1 1 349.431 0.919 50 0 ECAAMO COc1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)cc(OC)c1 ZINC000012761359 522413473 /nfs/dbraw/zinc/41/34/73/522413473.db2.gz BLQHVRYQPGFSKV-MRXNPFEDSA-N 1 1 349.431 0.919 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000189854387 534844639 /nfs/dbraw/zinc/84/46/39/534844639.db2.gz OJGRMZMZHUJAKA-CABCVRRESA-N 1 1 344.415 0.645 50 0 ECAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000225240345 564084312 /nfs/dbraw/zinc/08/43/12/564084312.db2.gz AHEJVYVJRGHVLO-STQMWFEESA-N 1 1 333.498 0.941 50 0 ECAAMO C[C@H](CNC(=O)N1CCOC[C@H]1CO)[N@H+]1CCc2ccccc2C1 ZINC000864094387 590055569 /nfs/dbraw/zinc/05/55/69/590055569.db2.gz TVZJXLRHCLICOB-RHSMWYFYSA-N 1 1 333.432 0.836 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072137353 608969296 /nfs/dbraw/zinc/96/92/96/608969296.db2.gz BDBHSBZJFKDSRB-ZDUSSCGKSA-N 1 1 334.420 0.891 50 0 ECAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)c1ncccn1)CC2 ZINC000169789937 609746541 /nfs/dbraw/zinc/74/65/41/609746541.db2.gz NKCTZPFSONXTID-CQSZACIVSA-N 1 1 334.420 0.270 50 0 ECAAMO Nc1ncncc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000192380102 611990508 /nfs/dbraw/zinc/99/05/08/611990508.db2.gz QOQSRGVBOOMXQD-CQSZACIVSA-N 1 1 327.388 0.555 50 0 ECAAMO CN(C[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952968811 612139432 /nfs/dbraw/zinc/13/94/32/612139432.db2.gz IIFIIOWJBCZJHW-LLVKDONJSA-N 1 1 331.463 0.952 50 0 ECAAMO CN(C[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952968811 612139433 /nfs/dbraw/zinc/13/94/33/612139433.db2.gz IIFIIOWJBCZJHW-LLVKDONJSA-N 1 1 331.463 0.952 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097616 214077881 /nfs/dbraw/zinc/07/78/81/214077881.db2.gz BUDHVGGCUDQDOU-LLVKDONJSA-N 1 1 336.392 0.626 50 0 ECAAMO Cc1ncsc1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000051100256 214078764 /nfs/dbraw/zinc/07/87/64/214078764.db2.gz NLRCMFHUCDWHMS-SECBINFHSA-N 1 1 339.421 0.229 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)NC2CCCC2)C[C@@H]1CO ZINC000091746282 282092101 /nfs/dbraw/zinc/09/21/01/282092101.db2.gz UXSOVIDZYGGMFE-HUUCEWRRSA-N 1 1 326.485 0.672 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)NC2CCCC2)C[C@@H]1CO ZINC000091746282 282092104 /nfs/dbraw/zinc/09/21/04/282092104.db2.gz UXSOVIDZYGGMFE-HUUCEWRRSA-N 1 1 326.485 0.672 50 0 ECAAMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000052134720 214119874 /nfs/dbraw/zinc/11/98/74/214119874.db2.gz SJWPLSALKLDGEV-KGLIPLIRSA-N 1 1 330.454 0.038 50 0 ECAAMO Nc1cc(N2CC[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H](O)C2)ncn1 ZINC000097696378 219049648 /nfs/dbraw/zinc/04/96/48/219049648.db2.gz RXYOVGDDLBNUNI-OAHLLOKOSA-N 1 1 341.415 0.677 50 0 ECAAMO CCCC[N@H+]1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@H](O)C1 ZINC000097784771 219057035 /nfs/dbraw/zinc/05/70/35/219057035.db2.gz AFRKOHCWGZOKBX-OAHLLOKOSA-N 1 1 347.463 0.996 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cn2ccccc2n1 ZINC000044911424 295677802 /nfs/dbraw/zinc/67/78/02/295677802.db2.gz FKVUJTOQFNQCGD-GOEBONIOSA-N 1 1 344.415 0.801 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2nc(C)cs2)CC1 ZINC000048349985 213927386 /nfs/dbraw/zinc/92/73/86/213927386.db2.gz DADURRJFPRFGMM-UHFFFAOYSA-N 1 1 325.438 0.461 50 0 ECAAMO C[C@@H]1C[N@H+](C2CCN(CC(=O)NCCCn3cccn3)CC2)CCO1 ZINC000066561533 215053728 /nfs/dbraw/zinc/05/37/28/215053728.db2.gz NQSCVWPBNDQCRB-MRXNPFEDSA-N 1 1 349.479 0.575 50 0 ECAAMO CNC(=O)C[N@@H+](C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067674520 215178259 /nfs/dbraw/zinc/17/82/59/215178259.db2.gz ORNHITYVEAUHHU-LJQANCHMSA-N 1 1 347.459 0.651 50 0 ECAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000106862364 283325598 /nfs/dbraw/zinc/32/55/98/283325598.db2.gz LFKHKLAPOWFWFY-HIFRSBDPSA-N 1 1 335.379 0.533 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000067805419 283349218 /nfs/dbraw/zinc/34/92/18/283349218.db2.gz SXBRFLFSSPWODK-JTQLQIEISA-N 1 1 329.356 0.954 50 0 ECAAMO C[NH+](C)Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)o1 ZINC000072145414 216031783 /nfs/dbraw/zinc/03/17/83/216031783.db2.gz SJBMDVJCQJTYHX-CQSZACIVSA-N 1 1 334.420 0.378 50 0 ECAAMO OC[C@@]1(O)CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000072148867 216036651 /nfs/dbraw/zinc/03/66/51/216036651.db2.gz BYVWHRJHDTXYQT-OAHLLOKOSA-N 1 1 327.450 0.689 50 0 ECAAMO CCN(CCO)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072157189 216046472 /nfs/dbraw/zinc/04/64/72/216046472.db2.gz NIUAJANBTXAPNL-INIZCTEOSA-N 1 1 333.432 0.260 50 0 ECAAMO CCN(CCO)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072157189 216046476 /nfs/dbraw/zinc/04/64/76/216046476.db2.gz NIUAJANBTXAPNL-INIZCTEOSA-N 1 1 333.432 0.260 50 0 ECAAMO COc1cccc(OCC(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)c1 ZINC000072173659 216063902 /nfs/dbraw/zinc/06/39/02/216063902.db2.gz LLQDGVWKIMGSSR-OAHLLOKOSA-N 1 1 333.388 0.153 50 0 ECAAMO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)NC1=O ZINC000072426398 216217356 /nfs/dbraw/zinc/21/73/56/216217356.db2.gz QRAASPKKVDDMNA-HNNXBMFYSA-N 1 1 334.395 0.884 50 0 ECAAMO CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)NC1=O ZINC000072426398 216217361 /nfs/dbraw/zinc/21/73/61/216217361.db2.gz QRAASPKKVDDMNA-HNNXBMFYSA-N 1 1 334.395 0.884 50 0 ECAAMO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3[nH]nc4ccccc43)CC[C@H]21 ZINC000072423499 216213733 /nfs/dbraw/zinc/21/37/33/216213733.db2.gz DZNMHIOJBQNWIM-SWLSCSKDSA-N 1 1 341.415 0.975 50 0 ECAAMO C[N@@H+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@H]1CCO ZINC000072433116 216226842 /nfs/dbraw/zinc/22/68/42/216226842.db2.gz MJNGGBWGHYCFRR-OAHLLOKOSA-N 1 1 332.404 0.355 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@H]1CCO ZINC000072433116 216226843 /nfs/dbraw/zinc/22/68/43/216226843.db2.gz MJNGGBWGHYCFRR-OAHLLOKOSA-N 1 1 332.404 0.355 50 0 ECAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cnccn3)CC2)[nH+]1 ZINC000072442499 216235223 /nfs/dbraw/zinc/23/52/23/216235223.db2.gz ZRPCFBVTNOZRNZ-UHFFFAOYSA-N 1 1 327.392 0.603 50 0 ECAAMO CSc1cccc(NC(=O)C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000206609355 241045631 /nfs/dbraw/zinc/04/56/31/241045631.db2.gz LCNOEPFYLUOVJY-UHFFFAOYSA-N 1 1 337.445 0.920 50 0 ECAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229526488 242172589 /nfs/dbraw/zinc/17/25/89/242172589.db2.gz FEQMKICUZJTBDD-TZMCWYRMSA-N 1 1 349.431 0.558 50 0 ECAAMO COCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)CCC1 ZINC000243901161 243032721 /nfs/dbraw/zinc/03/27/21/243032721.db2.gz AYWMCOSWDYCTFX-HZPDHXFCSA-N 1 1 333.432 0.950 50 0 ECAAMO COCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)CCC1 ZINC000243901161 243032726 /nfs/dbraw/zinc/03/27/26/243032726.db2.gz AYWMCOSWDYCTFX-HZPDHXFCSA-N 1 1 333.432 0.950 50 0 ECAAMO O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000020778146 212170430 /nfs/dbraw/zinc/17/04/30/212170430.db2.gz GPDOHJSEEADGFS-CVEARBPZSA-N 1 1 326.404 0.764 50 0 ECAAMO C[C@H](CCNC(=O)c1cnn2cc(CCO)cnc12)[NH+]1CCOCC1 ZINC000244874636 243094755 /nfs/dbraw/zinc/09/47/55/243094755.db2.gz XETMDHPOOVPTNN-CYBMUJFWSA-N 1 1 347.419 0.105 50 0 ECAAMO COc1cccc2cc(C(=O)N3CC[NH+](CCO)CC3)c(=O)oc21 ZINC000019883332 212080189 /nfs/dbraw/zinc/08/01/89/212080189.db2.gz POUCVNDPOWBZTE-UHFFFAOYSA-N 1 1 332.356 0.552 50 0 ECAAMO Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019890779 212079679 /nfs/dbraw/zinc/07/96/79/212079679.db2.gz CBJLRDFJZNRSCC-AWEZNQCLSA-N 1 1 329.404 0.425 50 0 ECAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000019859184 212076619 /nfs/dbraw/zinc/07/66/19/212076619.db2.gz RRGDQWWOIMSXPY-CYBMUJFWSA-N 1 1 325.434 0.615 50 0 ECAAMO COc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019831376 212073420 /nfs/dbraw/zinc/07/34/20/212073420.db2.gz XPAPRHJKCOOREF-UHFFFAOYSA-N 1 1 335.404 0.150 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000019812612 212070738 /nfs/dbraw/zinc/07/07/38/212070738.db2.gz SFXXRGIYYFUTGD-UHFFFAOYSA-N 1 1 329.397 0.366 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCC(C)C)[nH]n1 ZINC000012434363 211379770 /nfs/dbraw/zinc/37/97/70/211379770.db2.gz IXTJUAWOKLKMAM-HNNXBMFYSA-N 1 1 335.452 0.913 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCC(C)C)n[nH]1 ZINC000012434363 211379779 /nfs/dbraw/zinc/37/97/79/211379779.db2.gz IXTJUAWOKLKMAM-HNNXBMFYSA-N 1 1 335.452 0.913 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCC(C)C)n[nH]1 ZINC000012434363 211379783 /nfs/dbraw/zinc/37/97/83/211379783.db2.gz IXTJUAWOKLKMAM-HNNXBMFYSA-N 1 1 335.452 0.913 50 0 ECAAMO C[C@H](CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C[NH+]1CCOCC1 ZINC000089900801 217876781 /nfs/dbraw/zinc/87/67/81/217876781.db2.gz OHQWEIFLGJHFEB-HZPDHXFCSA-N 1 1 349.479 0.962 50 0 ECAAMO COc1cccc(OC)c1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000011874603 211262207 /nfs/dbraw/zinc/26/22/07/211262207.db2.gz ZNXVSXPHSKWNAS-CQSZACIVSA-N 1 1 349.431 0.919 50 0 ECAAMO COc1cccc(OC)c1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000011874603 211262211 /nfs/dbraw/zinc/26/22/11/211262211.db2.gz ZNXVSXPHSKWNAS-CQSZACIVSA-N 1 1 349.431 0.919 50 0 ECAAMO CCc1c(C)cc(C(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)c(=O)n1C ZINC000091518648 218016859 /nfs/dbraw/zinc/01/68/59/218016859.db2.gz KMINUJQIUFILRL-CVEARBPZSA-N 1 1 347.459 0.689 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091636556 218036969 /nfs/dbraw/zinc/03/69/69/218036969.db2.gz VLUOUKRTTFQIAU-OCVGTWLNSA-N 1 1 336.436 0.210 50 0 ECAAMO Cc1nc2cc(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C ZINC000091906589 218087287 /nfs/dbraw/zinc/08/72/87/218087287.db2.gz IKWACTNDXUGQON-AWEZNQCLSA-N 1 1 343.431 0.695 50 0 ECAAMO Cc1nc(C)n(CCNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095370835 218303919 /nfs/dbraw/zinc/30/39/19/218303919.db2.gz GSZNBNGAHGWBJR-HNNXBMFYSA-N 1 1 335.452 0.902 50 0 ECAAMO CN1CCN(Cc2ccc(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)nc2)CC1 ZINC000095373243 218305665 /nfs/dbraw/zinc/30/56/65/218305665.db2.gz NKYMWKDHXWPXMG-HKUYNNGSSA-N 1 1 345.491 0.380 50 0 ECAAMO Cc1cnc(CNc2cc(N)[nH+]c(SCC(=O)N(C)C)n2)cn1 ZINC000095383739 218315939 /nfs/dbraw/zinc/31/59/39/218315939.db2.gz QRZOUNAYUFXCJX-UHFFFAOYSA-N 1 1 333.421 0.950 50 0 ECAAMO Cc1cnc(CNc2cc(N)nc(SCC(=O)N(C)C)[nH+]2)cn1 ZINC000095383739 218315941 /nfs/dbraw/zinc/31/59/41/218315941.db2.gz QRZOUNAYUFXCJX-UHFFFAOYSA-N 1 1 333.421 0.950 50 0 ECAAMO COCC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095386278 218317783 /nfs/dbraw/zinc/31/77/83/218317783.db2.gz RCGVECOZENRVFS-ZDUSSCGKSA-N 1 1 332.408 0.721 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1c(=O)[nH]c2c(c1O)CCCC2 ZINC000008762646 211002678 /nfs/dbraw/zinc/00/26/78/211002678.db2.gz DZTJICDGKFKFAD-UHFFFAOYSA-N 1 1 335.404 0.824 50 0 ECAAMO CN1C(=O)NC2(CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1=O ZINC000008769257 211002212 /nfs/dbraw/zinc/00/22/12/211002212.db2.gz SSNOXQDGXIPDGT-UHFFFAOYSA-N 1 1 348.378 0.458 50 0 ECAAMO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@H](O)C2)cc1 ZINC000097324073 219011998 /nfs/dbraw/zinc/01/19/98/219011998.db2.gz QGSNJHGQQOYERG-INIZCTEOSA-N 1 1 329.404 0.187 50 0 ECAAMO Nc1ncccc1C[N@H+]1CCN(c2ncnc3nc[nH]c32)C[C@H](O)C1 ZINC000097370389 219015588 /nfs/dbraw/zinc/01/55/88/219015588.db2.gz HQUHZHQSEKCDEH-GFCCVEGCSA-N 1 1 340.391 0.013 50 0 ECAAMO Cc1cc(C)nc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)n1 ZINC000426727557 254789629 /nfs/dbraw/zinc/78/96/29/254789629.db2.gz WJAFHWWDIJEWAJ-CYBMUJFWSA-N 1 1 344.419 0.247 50 0 ECAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CCn2cnnn2)C1 ZINC000299803157 258105830 /nfs/dbraw/zinc/10/58/30/258105830.db2.gz YMCJWGWYHSEADC-OAHLLOKOSA-N 1 1 328.420 0.977 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCc2[nH]cnc2C1 ZINC000299757109 258075716 /nfs/dbraw/zinc/07/57/16/258075716.db2.gz MSRRAQAIHWZFRU-UHFFFAOYSA-N 1 1 341.419 0.458 50 0 ECAAMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)nc(C)n1 ZINC000299761248 258077919 /nfs/dbraw/zinc/07/79/19/258077919.db2.gz YFWZWCWIZOMFKI-UHFFFAOYSA-N 1 1 331.420 0.566 50 0 ECAAMO CN(CC(=O)NC[C@@H]1Cc2ccccc2CN1C)C1CC[NH2+]CC1 ZINC000299760955 258078194 /nfs/dbraw/zinc/07/81/94/258078194.db2.gz SDMYRNUNWKXXRI-SFHVURJKSA-N 1 1 330.476 0.843 50 0 ECAAMO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H](C(N)=O)C1 ZINC000052961372 132185740 /nfs/dbraw/zinc/18/57/40/132185740.db2.gz LUMZFCJWVOLNKP-KBPBESRZSA-N 1 1 348.422 0.670 50 0 ECAAMO CC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C[C@H](C)O ZINC000247154680 287210237 /nfs/dbraw/zinc/21/02/37/287210237.db2.gz LVOCNAWHSVOKAN-OUCADQQQSA-N 1 1 326.441 0.140 50 0 ECAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000019339599 275042196 /nfs/dbraw/zinc/04/21/96/275042196.db2.gz PVQREWLMFCTWGZ-UHFFFAOYSA-N 1 1 341.415 0.602 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)s1 ZINC000193358198 277034614 /nfs/dbraw/zinc/03/46/14/277034614.db2.gz RIOWQTQZFOJXGF-JTQLQIEISA-N 1 1 331.463 0.409 50 0 ECAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246169277 277119142 /nfs/dbraw/zinc/11/91/42/277119142.db2.gz KVMLRTKFCITRPB-SMDDNHRTSA-N 1 1 325.359 0.990 50 0 ECAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000246169277 277119144 /nfs/dbraw/zinc/11/91/44/277119144.db2.gz KVMLRTKFCITRPB-SMDDNHRTSA-N 1 1 325.359 0.990 50 0 ECAAMO Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067435168 279072284 /nfs/dbraw/zinc/07/22/84/279072284.db2.gz SNUNVTWHVSDBMJ-UHFFFAOYSA-N 1 1 331.420 0.603 50 0 ECAAMO CN1CC[NH+]([C@H]2CCN(c3nc(N)cc[nH+]3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095352792 290056538 /nfs/dbraw/zinc/05/65/38/290056538.db2.gz IWNYATZHYCXTCY-KGLIPLIRSA-N 1 1 348.451 0.366 50 0 ECAAMO C[NH+]1CCN(c2ccc(NC(=O)CN3CCOCC3)cc2F)CC1 ZINC000001404151 435958862 /nfs/dbraw/zinc/95/88/62/435958862.db2.gz IMMSSIZZOGTYAP-UHFFFAOYSA-N 1 1 336.411 0.848 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000002441932 435965432 /nfs/dbraw/zinc/96/54/32/435965432.db2.gz PTGBZICZWXQUGP-NSHDSACASA-N 1 1 339.417 0.894 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000069773978 435965425 /nfs/dbraw/zinc/96/54/25/435965425.db2.gz NVWLUZXSGDLPDA-UHFFFAOYSA-N 1 1 347.463 0.620 50 0 ECAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1-n1cnnn1 ZINC000069775445 435965487 /nfs/dbraw/zinc/96/54/87/435965487.db2.gz UBPKRZPSHBFSJF-OLZOCXBDSA-N 1 1 328.376 0.255 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069780263 435966458 /nfs/dbraw/zinc/96/64/58/435966458.db2.gz VCDISGKJWIIFCU-OLZOCXBDSA-N 1 1 337.386 0.834 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000069924473 435976766 /nfs/dbraw/zinc/97/67/66/435976766.db2.gz FDKZEAVFWCPBER-QGZVFWFLSA-N 1 1 333.432 0.851 50 0 ECAAMO CCc1nn2c(nc(C[N@@H+]3CCC[C@H]3Cn3cncn3)cc2=O)s1 ZINC000069590059 435950497 /nfs/dbraw/zinc/95/04/97/435950497.db2.gz VCPFNIXOYKJYJZ-LBPRGKRZSA-N 1 1 345.432 0.970 50 0 ECAAMO CCc1nn2c(nc(C[N@H+]3CCC[C@H]3Cn3cncn3)cc2=O)s1 ZINC000069590059 435950505 /nfs/dbraw/zinc/95/05/05/435950505.db2.gz VCPFNIXOYKJYJZ-LBPRGKRZSA-N 1 1 345.432 0.970 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cncn1)NCCOc1ccccc1 ZINC000069596179 435952209 /nfs/dbraw/zinc/95/22/09/435952209.db2.gz DYCHEUYXXPKJBN-OAHLLOKOSA-N 1 1 329.404 0.938 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)NCCOc1ccccc1 ZINC000069596179 435952215 /nfs/dbraw/zinc/95/22/15/435952215.db2.gz DYCHEUYXXPKJBN-OAHLLOKOSA-N 1 1 329.404 0.938 50 0 ECAAMO O=C1NCCN1[C@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000069631359 435952944 /nfs/dbraw/zinc/95/29/44/435952944.db2.gz DAXVGSDSMFJUEG-ZDUSSCGKSA-N 1 1 341.415 0.955 50 0 ECAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](CNC(C)=O)C2)cc1 ZINC000071315157 436005892 /nfs/dbraw/zinc/00/58/92/436005892.db2.gz RJLGNNJKKGXZQM-AWEZNQCLSA-N 1 1 325.434 0.553 50 0 ECAAMO CC(C)Oc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)nc(N)n1 ZINC000071747471 436009028 /nfs/dbraw/zinc/00/90/28/436009028.db2.gz FTXQMNBRTWJLEG-CHWSQXEVSA-N 1 1 337.424 0.118 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)nc12 ZINC000071830567 436016135 /nfs/dbraw/zinc/01/61/35/436016135.db2.gz OBJCLUIIYMZSAM-OAHLLOKOSA-N 1 1 341.415 0.993 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)nc12 ZINC000071830567 436016142 /nfs/dbraw/zinc/01/61/42/436016142.db2.gz OBJCLUIIYMZSAM-OAHLLOKOSA-N 1 1 341.415 0.993 50 0 ECAAMO C[N@H+](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)Cc1ccccc1 ZINC000071830635 436016355 /nfs/dbraw/zinc/01/63/55/436016355.db2.gz GPWGVDFQBQTJFQ-UHFFFAOYSA-N 1 1 330.388 0.319 50 0 ECAAMO C[N@@H+](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)Cc1ccccc1 ZINC000071830635 436016361 /nfs/dbraw/zinc/01/63/61/436016361.db2.gz GPWGVDFQBQTJFQ-UHFFFAOYSA-N 1 1 330.388 0.319 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 ZINC000071871389 436021386 /nfs/dbraw/zinc/02/13/86/436021386.db2.gz UISNPOAPTMJXSX-RDJZCZTQSA-N 1 1 328.416 0.998 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071877402 436024952 /nfs/dbraw/zinc/02/49/52/436024952.db2.gz BIGYIDZQBDSNDL-SJORKVTESA-N 1 1 349.475 0.877 50 0 ECAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccon1)[NH+]1CCCC1 ZINC000011898221 436048263 /nfs/dbraw/zinc/04/82/63/436048263.db2.gz WHDMVIJVNVLGBF-CYBMUJFWSA-N 1 1 331.376 0.905 50 0 ECAAMO C[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2)CC1 ZINC000013689930 436066600 /nfs/dbraw/zinc/06/66/00/436066600.db2.gz CLVFTKOKJZOBNA-ZDUSSCGKSA-N 1 1 349.822 0.770 50 0 ECAAMO c1ccc(C[NH+]2CCOCC2)c(CNc2ccc3nnnn3n2)c1 ZINC000014068258 436068370 /nfs/dbraw/zinc/06/83/70/436068370.db2.gz UDNRGBUWNRKZQH-UHFFFAOYSA-N 1 1 325.376 0.964 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc[nH]c1=O ZINC000023895513 436130463 /nfs/dbraw/zinc/13/04/63/436130463.db2.gz VBHMRNFIECEAHU-UHFFFAOYSA-N 1 1 342.403 0.107 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000024678198 436136221 /nfs/dbraw/zinc/13/62/21/436136221.db2.gz YEHWCWNLKIJGSA-UHFFFAOYSA-N 1 1 333.392 0.926 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000024678198 436136225 /nfs/dbraw/zinc/13/62/25/436136225.db2.gz YEHWCWNLKIJGSA-UHFFFAOYSA-N 1 1 333.392 0.926 50 0 ECAAMO C[C@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000025318906 436150433 /nfs/dbraw/zinc/15/04/33/436150433.db2.gz PBGMRMNDHRMTMN-AWEZNQCLSA-N 1 1 338.496 0.824 50 0 ECAAMO C[C@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000025318906 436150439 /nfs/dbraw/zinc/15/04/39/436150439.db2.gz PBGMRMNDHRMTMN-AWEZNQCLSA-N 1 1 338.496 0.824 50 0 ECAAMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1N1CCNC1=O ZINC000075602977 436165746 /nfs/dbraw/zinc/16/57/46/436165746.db2.gz LMFPQQVCRUDHKM-AWEZNQCLSA-N 1 1 346.431 0.663 50 0 ECAAMO Cc1nc(CN2CCC[N@@H+](CCC(=O)N3CCOCC3)CC2)no1 ZINC000075603197 436166174 /nfs/dbraw/zinc/16/61/74/436166174.db2.gz VKFXNKXYUZHZCI-UHFFFAOYSA-N 1 1 337.424 0.135 50 0 ECAAMO CN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000076058763 436188013 /nfs/dbraw/zinc/18/80/13/436188013.db2.gz WRBZXPVECXJDNP-SJKOYZFVSA-N 1 1 348.403 0.548 50 0 ECAAMO CN(C)Cc1nnc([C@@H]2CCCN(C(=O)N3CC[NH+](C)CC3)C2)n1C ZINC000077419308 436236973 /nfs/dbraw/zinc/23/69/73/436236973.db2.gz WWVLXYCOMKJPHE-CQSZACIVSA-N 1 1 349.483 0.424 50 0 ECAAMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000032865646 436244783 /nfs/dbraw/zinc/24/47/83/436244783.db2.gz DZWJNDJVCBVBKF-LLVKDONJSA-N 1 1 333.388 0.952 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccco1 ZINC000042476239 436305348 /nfs/dbraw/zinc/30/53/48/436305348.db2.gz JRTXNERQGDAMBB-OLZOCXBDSA-N 1 1 343.449 0.813 50 0 ECAAMO CCC[N@H+]1CCCn2nc(CNC(=O)C(=O)N3CCCC3)cc2C1 ZINC000082116288 436361965 /nfs/dbraw/zinc/36/19/65/436361965.db2.gz FIQQAZZTSJQHPN-UHFFFAOYSA-N 1 1 333.436 0.737 50 0 ECAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCCn1cnnn1 ZINC000082160455 436363715 /nfs/dbraw/zinc/36/37/15/436363715.db2.gz ZCEBOHOHIRVPEX-INIZCTEOSA-N 1 1 328.420 0.968 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1[NH+]1CCOCC1 ZINC000084736076 436383510 /nfs/dbraw/zinc/38/35/10/436383510.db2.gz HSQDFVZUPNEMPE-UKRRQHHQSA-N 1 1 334.420 0.446 50 0 ECAAMO C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000044915438 436354469 /nfs/dbraw/zinc/35/44/69/436354469.db2.gz ASAWCTMFNTZUEM-BFHYXJOUSA-N 1 1 344.415 0.922 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000044944154 436355536 /nfs/dbraw/zinc/35/55/36/436355536.db2.gz COWCPDUCSZXNQV-UHFFFAOYSA-N 1 1 341.433 0.128 50 0 ECAAMO O=C(Cc1ccccc1O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091365262 436451301 /nfs/dbraw/zinc/45/13/01/436451301.db2.gz WZWFRKJJBKCSJL-HZPDHXFCSA-N 1 1 334.416 0.334 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000089840203 436417664 /nfs/dbraw/zinc/41/76/64/436417664.db2.gz BFFSNDRUFDLMTL-CQSZACIVSA-N 1 1 333.432 0.950 50 0 ECAAMO CC(C)N1C(=O)N[C@](C)([C@@H]2CCC[N@@H+](CCn3cncn3)C2)C1=O ZINC000089869770 436419512 /nfs/dbraw/zinc/41/95/12/436419512.db2.gz KHEQAJPLNSITKZ-CZUORRHYSA-N 1 1 334.424 0.709 50 0 ECAAMO CN1C[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000047458706 436420430 /nfs/dbraw/zinc/42/04/30/436420430.db2.gz AAVGTQPPAFUTRL-OAHLLOKOSA-N 1 1 330.432 0.403 50 0 ECAAMO Cn1cc(C[C@@H]2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC000096446121 436531410 /nfs/dbraw/zinc/53/14/10/436531410.db2.gz WJXKQMUZQWPTOO-UAGQMJEPSA-N 1 1 347.463 0.857 50 0 ECAAMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000058329878 436624200 /nfs/dbraw/zinc/62/42/00/436624200.db2.gz PDPYDZKNXOEGFD-UHFFFAOYSA-N 1 1 347.463 0.727 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(Cc2csc(CC(=O)N(C)C)n2)C[C@@H]1C ZINC000106869274 436602670 /nfs/dbraw/zinc/60/26/70/436602670.db2.gz BJRYVJZLSYPEOI-STQMWFEESA-N 1 1 340.493 0.661 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000058163302 436620377 /nfs/dbraw/zinc/62/03/77/436620377.db2.gz OXZPJTAXYCVYSG-NWDGAFQWSA-N 1 1 334.420 0.834 50 0 ECAAMO COCCNC(=O)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063657134 436644632 /nfs/dbraw/zinc/64/46/32/436644632.db2.gz ZNPFMVBZZREGKR-INIZCTEOSA-N 1 1 333.432 0.920 50 0 ECAAMO Cn1c2cc(C(=O)N3CC[NH+](C)CC3)ccc2n2nccc2c1=O ZINC000065270495 436654201 /nfs/dbraw/zinc/65/42/01/436654201.db2.gz RLRMKGJTFBMMDY-UHFFFAOYSA-N 1 1 325.372 0.574 50 0 ECAAMO Cc1[nH+]cn(CC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)c1C ZINC000219911883 436697695 /nfs/dbraw/zinc/69/76/95/436697695.db2.gz LMWUIXVPSXNFAQ-UHFFFAOYSA-N 1 1 341.371 0.320 50 0 ECAAMO Cc1cccc(CCNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000221155103 436700149 /nfs/dbraw/zinc/70/01/49/436700149.db2.gz MKMSRFVYXDBCBY-HNNXBMFYSA-N 1 1 339.461 0.558 50 0 ECAAMO Cc1cccc(CCNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000221155103 436700153 /nfs/dbraw/zinc/70/01/53/436700153.db2.gz MKMSRFVYXDBCBY-HNNXBMFYSA-N 1 1 339.461 0.558 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000221797041 436701342 /nfs/dbraw/zinc/70/13/42/436701342.db2.gz XZXYTNIBZCKFNY-JHJVBQTASA-N 1 1 349.435 0.372 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000221797041 436701343 /nfs/dbraw/zinc/70/13/43/436701343.db2.gz XZXYTNIBZCKFNY-JHJVBQTASA-N 1 1 349.435 0.372 50 0 ECAAMO COCCN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000225509527 436711840 /nfs/dbraw/zinc/71/18/40/436711840.db2.gz SGBKCTKBPUGAPF-MRXNPFEDSA-N 1 1 342.484 0.317 50 0 ECAAMO C[C@@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[NH+](C)C ZINC000065449877 436661035 /nfs/dbraw/zinc/66/10/35/436661035.db2.gz INLLJYPATXZYKN-AWEZNQCLSA-N 1 1 334.468 0.583 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000065451928 436661841 /nfs/dbraw/zinc/66/18/41/436661841.db2.gz YYJVNSLPZLTKGT-HOTGVXAUSA-N 1 1 347.463 0.739 50 0 ECAAMO O=C(CCN1CC[NH+](CCn2cncn2)CC1)Nc1nccs1 ZINC000065494599 436664985 /nfs/dbraw/zinc/66/49/85/436664985.db2.gz WTNPULWEAWAOFU-UHFFFAOYSA-N 1 1 335.437 0.381 50 0 ECAAMO O=C(CC[NH+]1CCN(CCn2cncn2)CC1)Nc1nccs1 ZINC000065494599 436664988 /nfs/dbraw/zinc/66/49/88/436664988.db2.gz WTNPULWEAWAOFU-UHFFFAOYSA-N 1 1 335.437 0.381 50 0 ECAAMO COCCCNC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000065591480 436668121 /nfs/dbraw/zinc/66/81/21/436668121.db2.gz WCSKNYOAYBTZNT-INIZCTEOSA-N 1 1 335.448 0.770 50 0 ECAAMO O=S(=O)(N1CCOCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000065576786 436668232 /nfs/dbraw/zinc/66/82/32/436668232.db2.gz KCAYISDGYRDQRQ-UHFFFAOYSA-N 1 1 339.461 0.424 50 0 ECAAMO COc1c([C@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c(C)nn1C ZINC000229517027 436714249 /nfs/dbraw/zinc/71/42/49/436714249.db2.gz OYZSFSAYAQCEMQ-LSDHHAIUSA-N 1 1 338.452 0.567 50 0 ECAAMO CCNC(=O)CN1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000065605569 436669503 /nfs/dbraw/zinc/66/95/03/436669503.db2.gz RNQKDXBROBMPDB-UHFFFAOYSA-N 1 1 349.431 0.938 50 0 ECAAMO COc1ccc(C[N@H+]2CCCN(C(=O)C3=NNC(=O)CC3)CC2)cc1 ZINC000065608643 436669874 /nfs/dbraw/zinc/66/98/74/436669874.db2.gz QPQNGQIEKKXKSL-UHFFFAOYSA-N 1 1 344.415 0.996 50 0 ECAAMO COCCN(C)c1ccc(C[NH2+][C@@H](C)CN2CCN(C)CC2)cn1 ZINC000240444226 436757755 /nfs/dbraw/zinc/75/77/55/436757755.db2.gz FWTUDMMQTDRYIA-INIZCTEOSA-N 1 1 335.496 0.890 50 0 ECAAMO C[N@H+](CCC(=O)NCCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000230571930 436716568 /nfs/dbraw/zinc/71/65/68/436716568.db2.gz UVKGZWVBMQDASP-LBPRGKRZSA-N 1 1 348.856 0.162 50 0 ECAAMO C[N@@H+](CCC(=O)NCCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000230571930 436716571 /nfs/dbraw/zinc/71/65/71/436716571.db2.gz UVKGZWVBMQDASP-LBPRGKRZSA-N 1 1 348.856 0.162 50 0 ECAAMO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000229816399 436717582 /nfs/dbraw/zinc/71/75/82/436717582.db2.gz IVLGNGHHXOEQQN-MCIONIFRSA-N 1 1 344.481 0.336 50 0 ECAAMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NCC(=O)N1CCCC1 ZINC000247802790 436796885 /nfs/dbraw/zinc/79/68/85/436796885.db2.gz WSOBLWCHWBVTQM-OWCLPIDISA-N 1 1 334.464 0.141 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC000248040030 436798709 /nfs/dbraw/zinc/79/87/09/436798709.db2.gz SHQUBOBKFHFIHJ-GJZGRUSLSA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC000248040030 436798712 /nfs/dbraw/zinc/79/87/12/436798712.db2.gz SHQUBOBKFHFIHJ-GJZGRUSLSA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1nsc2ncn(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)c12 ZINC000253426799 436846186 /nfs/dbraw/zinc/84/61/86/436846186.db2.gz XQOQNLMLLIOUKF-UMNHJUIQSA-N 1 1 338.433 0.632 50 0 ECAAMO Cc1nsc2ncn(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)c12 ZINC000253426799 436846190 /nfs/dbraw/zinc/84/61/90/436846190.db2.gz XQOQNLMLLIOUKF-UMNHJUIQSA-N 1 1 338.433 0.632 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000257178418 436857024 /nfs/dbraw/zinc/85/70/24/436857024.db2.gz BUBLJHMKYCUTRO-CVEARBPZSA-N 1 1 337.464 0.739 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 ZINC000252474465 436831681 /nfs/dbraw/zinc/83/16/81/436831681.db2.gz FLERNHANGZEVSC-OWCLPIDISA-N 1 1 328.453 0.876 50 0 ECAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478038 436833992 /nfs/dbraw/zinc/83/39/92/436833992.db2.gz AAMQMPBGTNGADJ-WBVHZDCISA-N 1 1 325.453 0.420 50 0 ECAAMO C[C@@H]1C[N@@H+](CCNc2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000257365237 436876233 /nfs/dbraw/zinc/87/62/33/436876233.db2.gz XUODVERIWBWGAM-ZNMIVQPWSA-N 1 1 335.452 0.959 50 0 ECAAMO C[C@@H]1C[N@H+](CCNc2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000257365237 436876237 /nfs/dbraw/zinc/87/62/37/436876237.db2.gz XUODVERIWBWGAM-ZNMIVQPWSA-N 1 1 335.452 0.959 50 0 ECAAMO CC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000257365086 436877295 /nfs/dbraw/zinc/87/72/95/436877295.db2.gz RFUVTMZOXQQDNN-CFVMTHIKSA-N 1 1 329.466 0.496 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2C)CC1 ZINC000257366301 436877334 /nfs/dbraw/zinc/87/73/34/436877334.db2.gz QXHMXSVUSJNYPY-NVXWUHKLSA-N 1 1 336.480 0.483 50 0 ECAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000257365664 436878007 /nfs/dbraw/zinc/87/80/07/436878007.db2.gz FOPDIDDFAHHVNM-UONOGXRCSA-N 1 1 334.420 0.022 50 0 ECAAMO COc1cccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000175733506 437115085 /nfs/dbraw/zinc/11/50/85/437115085.db2.gz OTCIQZNUANSTFT-ZFWWWQNUSA-N 1 1 334.420 0.952 50 0 ECAAMO CC[N@H+]1CC[C@H]2OCCN(Cc3nnnn3CC(F)(F)F)[C@H]2C1 ZINC000328799871 437265213 /nfs/dbraw/zinc/26/52/13/437265213.db2.gz XZNSDHAVANRSHH-WDEREUQCSA-N 1 1 334.346 0.530 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000188535945 437554462 /nfs/dbraw/zinc/55/44/62/437554462.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000188535945 437554467 /nfs/dbraw/zinc/55/44/67/437554467.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 1 1 326.485 0.956 50 0 ECAAMO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cn[nH]c2C2CC2)cn1 ZINC000190495514 437626729 /nfs/dbraw/zinc/62/67/29/437626729.db2.gz UMWBCDFENUWKMN-UHFFFAOYSA-N 1 1 345.407 0.414 50 0 ECAAMO Cc1cc(=O)[nH]c([C@H](C)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000192625073 437682677 /nfs/dbraw/zinc/68/26/77/437682677.db2.gz OLLCSKHMQYNUSG-KBPBESRZSA-N 1 1 333.436 0.790 50 0 ECAAMO CCn1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)n1 ZINC000426534460 438065685 /nfs/dbraw/zinc/06/56/85/438065685.db2.gz NAFQTICUJVPKLG-OAHLLOKOSA-N 1 1 335.452 0.769 50 0 ECAAMO CCn1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c(C)n1 ZINC000426534460 438065695 /nfs/dbraw/zinc/06/56/95/438065695.db2.gz NAFQTICUJVPKLG-OAHLLOKOSA-N 1 1 335.452 0.769 50 0 ECAAMO CN1CCN(C(=O)CC[N@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000408519096 438581864 /nfs/dbraw/zinc/58/18/64/438581864.db2.gz ZLPFWOWCLYHFCN-KRWDZBQOSA-N 1 1 338.496 0.337 50 0 ECAAMO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000408525472 438582204 /nfs/dbraw/zinc/58/22/04/438582204.db2.gz BLGWYXFFRPDWJE-CHWSQXEVSA-N 1 1 329.393 0.956 50 0 ECAAMO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000408525472 438582205 /nfs/dbraw/zinc/58/22/05/438582205.db2.gz BLGWYXFFRPDWJE-CHWSQXEVSA-N 1 1 329.393 0.956 50 0 ECAAMO C[C@H]1NC(=O)N(CC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)C1=O ZINC000528642520 439358046 /nfs/dbraw/zinc/35/80/46/439358046.db2.gz WMPZCJJOOGYBDU-OLZOCXBDSA-N 1 1 325.409 0.180 50 0 ECAAMO CCC(C)(C)[C@H](O)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000585121712 439632075 /nfs/dbraw/zinc/63/20/75/439632075.db2.gz XCAWZABGZHBWJJ-UONOGXRCSA-N 1 1 325.453 0.724 50 0 ECAAMO CC1(C)CN(c2nc3ccccc3c(=O)n2CCO)CC[N@H+]1CCO ZINC000585139210 439634364 /nfs/dbraw/zinc/63/43/64/439634364.db2.gz WWBLBNUSQSPUAM-UHFFFAOYSA-N 1 1 346.431 0.282 50 0 ECAAMO CN1CC(=O)N(CC(=O)N2CCC[N@H+](C3CCCCC3)CC2)C1=O ZINC000584899133 439625494 /nfs/dbraw/zinc/62/54/94/439625494.db2.gz BRLCMSQXAKWSDX-UHFFFAOYSA-N 1 1 336.436 0.747 50 0 ECAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)[nH]n1 ZINC000084110898 545707643 /nfs/dbraw/zinc/70/76/43/545707643.db2.gz QIAUAVJFJLUJAR-KBPBESRZSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n[nH]1 ZINC000084110898 545707646 /nfs/dbraw/zinc/70/76/46/545707646.db2.gz QIAUAVJFJLUJAR-KBPBESRZSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n[nH]1 ZINC000084110898 545707650 /nfs/dbraw/zinc/70/76/50/545707650.db2.gz QIAUAVJFJLUJAR-KBPBESRZSA-N 1 1 333.436 0.621 50 0 ECAAMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2nccn(C)c2=O)C1 ZINC000626479884 547362304 /nfs/dbraw/zinc/36/23/04/547362304.db2.gz YKZJOBLSTMQNDR-FRRDWIJNSA-N 1 1 335.408 0.544 50 0 ECAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)CCn1cccn1 ZINC000169791085 609747289 /nfs/dbraw/zinc/74/72/89/609747289.db2.gz JBLJOGKEDQNSNJ-NVXWUHKLSA-N 1 1 349.479 0.430 50 0 ECAAMO CS(=O)(=O)CCC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000952962244 612138492 /nfs/dbraw/zinc/13/84/92/612138492.db2.gz BIMFDJSPKGTKJG-CQSZACIVSA-N 1 1 332.466 0.525 50 0 ECAAMO CC(C)[N@@H+]1CCc2nnc(C3CCN(S(C)(=O)=O)CC3)n2CC1 ZINC000675013916 741331867 /nfs/dbraw/zinc/33/18/67/741331867.db2.gz ADSXRQCYBWFVJG-UHFFFAOYSA-N 1 1 341.481 0.684 50 0 ECAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1cccnc1)CC2 ZINC000675020057 741337692 /nfs/dbraw/zinc/33/76/92/741337692.db2.gz ARRMFZXOEZOZLZ-CVEARBPZSA-N 1 1 339.461 0.812 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)nc2c1CCCC2 ZINC000426575155 753290769 /nfs/dbraw/zinc/29/07/69/753290769.db2.gz SRVUXUBWLFONTA-OAHLLOKOSA-N 1 1 345.491 0.958 50 0 ECAAMO COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000051204638 214083472 /nfs/dbraw/zinc/08/34/72/214083472.db2.gz JBBVEAUETVJUHY-KRWDZBQOSA-N 1 1 347.459 0.796 50 0 ECAAMO COCC[N@H+](CCOc1ccc(C(=O)OC)cc1)CC(=O)N(C)C ZINC000051922619 214108945 /nfs/dbraw/zinc/10/89/45/214108945.db2.gz GDPZHUZZJWQRQZ-UHFFFAOYSA-N 1 1 338.404 0.889 50 0 ECAAMO COCC[N@@H+](CCOc1ccc(C(=O)OC)cc1)CC(=O)N(C)C ZINC000051922619 214108946 /nfs/dbraw/zinc/10/89/46/214108946.db2.gz GDPZHUZZJWQRQZ-UHFFFAOYSA-N 1 1 338.404 0.889 50 0 ECAAMO CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000084742917 282971027 /nfs/dbraw/zinc/97/10/27/282971027.db2.gz WFWZUBCOIMQDEI-QLFBSQMISA-N 1 1 340.468 0.783 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000067473393 215151866 /nfs/dbraw/zinc/15/18/66/215151866.db2.gz OMZFKCVSNCCGLW-CQSZACIVSA-N 1 1 330.392 0.328 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000067473393 215151870 /nfs/dbraw/zinc/15/18/70/215151870.db2.gz OMZFKCVSNCCGLW-CQSZACIVSA-N 1 1 330.392 0.328 50 0 ECAAMO CCN(C)S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000067605960 215169458 /nfs/dbraw/zinc/16/94/58/215169458.db2.gz SLNVANQJTRFELC-CQSZACIVSA-N 1 1 326.466 0.998 50 0 ECAAMO Cn1c2ccc(S(=O)(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2oc1=O ZINC000067756432 215205044 /nfs/dbraw/zinc/20/50/44/215205044.db2.gz TVQNXSDKQBEAET-NSHDSACASA-N 1 1 339.417 0.752 50 0 ECAAMO Cc1c(-c2cc(C(=O)NCC[C@H]3C[N@H+](C)CCO3)no2)cnn1C ZINC000067880327 215239559 /nfs/dbraw/zinc/23/95/59/215239559.db2.gz OFYVRTVPOJVRDI-LBPRGKRZSA-N 1 1 333.392 0.834 50 0 ECAAMO Cc1c(-c2cc(C(=O)NCC[C@H]3C[N@@H+](C)CCO3)no2)cnn1C ZINC000067880327 215239561 /nfs/dbraw/zinc/23/95/61/215239561.db2.gz OFYVRTVPOJVRDI-LBPRGKRZSA-N 1 1 333.392 0.834 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(Cc2ccco2)CC1 ZINC000067947605 215256667 /nfs/dbraw/zinc/25/66/67/215256667.db2.gz HOSRNKWYBJSAJJ-ZBFHGGJFSA-N 1 1 348.447 0.556 50 0 ECAAMO O=C(NCc1cc(C2CC2)[nH]n1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067982922 215267502 /nfs/dbraw/zinc/26/75/02/215267502.db2.gz BIZGDVDLMYVSPK-LLVKDONJSA-N 1 1 329.408 0.808 50 0 ECAAMO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000068958138 215348966 /nfs/dbraw/zinc/34/89/66/215348966.db2.gz TXEWEFXHTGZSJD-KRWDZBQOSA-N 1 1 345.443 0.669 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc(=O)n(CC[C@H]2CCCC[N@H+]2C)c1 ZINC000069153654 215364602 /nfs/dbraw/zinc/36/46/02/215364602.db2.gz FUEUUKZCBZBZKA-CYBMUJFWSA-N 1 1 327.450 0.973 50 0 ECAAMO Cc1nn(C)c2ncc(CN3CCC[N@@H+](CC(=O)N(C)C)CC3)cc12 ZINC000069161161 215365772 /nfs/dbraw/zinc/36/57/72/215365772.db2.gz XNNVASJCXMAKED-UHFFFAOYSA-N 1 1 344.463 0.873 50 0 ECAAMO Cc1nn(C)c2ncc(CN3CCC[N@H+](CC(=O)N(C)C)CC3)cc12 ZINC000069161161 215365776 /nfs/dbraw/zinc/36/57/76/215365776.db2.gz XNNVASJCXMAKED-UHFFFAOYSA-N 1 1 344.463 0.873 50 0 ECAAMO Cc1nn(C)c2ncc(C[N@H+]3CCCN(CC(=O)N(C)C)CC3)cc12 ZINC000069161161 215365778 /nfs/dbraw/zinc/36/57/78/215365778.db2.gz XNNVASJCXMAKED-UHFFFAOYSA-N 1 1 344.463 0.873 50 0 ECAAMO Cc1nn(C)c2ncc(C[N@@H+]3CCCN(CC(=O)N(C)C)CC3)cc12 ZINC000069161161 215365783 /nfs/dbraw/zinc/36/57/83/215365783.db2.gz XNNVASJCXMAKED-UHFFFAOYSA-N 1 1 344.463 0.873 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000067805420 283318989 /nfs/dbraw/zinc/31/89/89/283318989.db2.gz SXBRFLFSSPWODK-SNVBAGLBSA-N 1 1 329.356 0.954 50 0 ECAAMO Cc1cc(CC(=O)N2CC[NH2+]C[C@H]2C(=O)NCc2ccncc2)on1 ZINC000072154030 216043334 /nfs/dbraw/zinc/04/33/34/216043334.db2.gz ZYLOZTHQKSXFGY-HNNXBMFYSA-N 1 1 343.387 0.037 50 0 ECAAMO COc1ccc(C2(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)CC2)cc1 ZINC000072158092 216048268 /nfs/dbraw/zinc/04/82/68/216048268.db2.gz LFZAVDVRNUJPBR-MRXNPFEDSA-N 1 1 343.427 0.806 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000072234614 216073967 /nfs/dbraw/zinc/07/39/67/216073967.db2.gz OPRPICFSZXXFBB-LBPRGKRZSA-N 1 1 347.419 0.939 50 0 ECAAMO COc1cc2c(cc1CNC(=O)[C@H]1[NH2+]CCc3nc[nH]c31)OCCO2 ZINC000072422031 216210066 /nfs/dbraw/zinc/21/00/66/216210066.db2.gz MFJSSTHTDMONDV-INIZCTEOSA-N 1 1 344.371 0.693 50 0 ECAAMO Nc1nc2c(c(N3CCC[C@H](CN4CCOCC4)C3)n1)CC[NH2+]CC2 ZINC000072421589 216210130 /nfs/dbraw/zinc/21/01/30/216210130.db2.gz CIOGVZGHKHHEBV-CQSZACIVSA-N 1 1 346.479 0.296 50 0 ECAAMO CCN1C(=O)C(=O)N(CN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000022800367 212324715 /nfs/dbraw/zinc/32/47/15/212324715.db2.gz DDZTTZFPTPZUGI-UHFFFAOYSA-N 1 1 330.388 0.572 50 0 ECAAMO Cn1c(=O)cc(CN2CC[NH+](Cc3cccs3)CC2)n(C)c1=O ZINC000022357629 212293735 /nfs/dbraw/zinc/29/37/35/212293735.db2.gz UMIKDXYEKYTLLW-UHFFFAOYSA-N 1 1 334.445 0.463 50 0 ECAAMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000229511508 242171453 /nfs/dbraw/zinc/17/14/53/242171453.db2.gz SJWPLSALKLDGEV-UONOGXRCSA-N 1 1 330.454 0.038 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)CCn2cncn2)[C@@H](c2ccccc2)C1 ZINC000229732737 242193956 /nfs/dbraw/zinc/19/39/56/242193956.db2.gz YADJGCCZGZTNIX-QGZVFWFLSA-N 1 1 342.447 0.773 50 0 ECAAMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000229786795 242199350 /nfs/dbraw/zinc/19/93/50/242199350.db2.gz PJECGKLAOLVKQP-FUHWJXTLSA-N 1 1 349.475 0.910 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000020681777 212161463 /nfs/dbraw/zinc/16/14/63/212161463.db2.gz CUFRSWCWQXMLPB-GFCCVEGCSA-N 1 1 325.434 0.825 50 0 ECAAMO CN1CCN(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020220163 212113759 /nfs/dbraw/zinc/11/37/59/212113759.db2.gz ARONPUAQQAPVMB-HNNXBMFYSA-N 1 1 334.395 0.295 50 0 ECAAMO COc1ccc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(O)c2c1 ZINC000020150834 212106870 /nfs/dbraw/zinc/10/68/70/212106870.db2.gz DMPLQHQTBMFVHN-UHFFFAOYSA-N 1 1 345.399 0.989 50 0 ECAAMO CCc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000019999988 212093530 /nfs/dbraw/zinc/09/35/30/212093530.db2.gz YIKMNBMXALEPKS-UHFFFAOYSA-N 1 1 339.461 0.789 50 0 ECAAMO O=C([C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCCCO1 ZINC000019336573 212017765 /nfs/dbraw/zinc/01/77/65/212017765.db2.gz PFGFYJZHDSNVFO-OAHLLOKOSA-N 1 1 339.436 0.501 50 0 ECAAMO O=C(NCCN1C(=O)CNC1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000078693636 217103254 /nfs/dbraw/zinc/10/32/54/217103254.db2.gz VIRCICPHTUFPQJ-OAHLLOKOSA-N 1 1 344.415 0.567 50 0 ECAAMO COCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114873 217468863 /nfs/dbraw/zinc/46/88/63/217468863.db2.gz OQYIMNTXOKSZPO-HNNXBMFYSA-N 1 1 337.464 0.958 50 0 ECAAMO COCc1ncc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091412002 218001888 /nfs/dbraw/zinc/00/18/88/218001888.db2.gz PJGRSGPSDSHPEV-GOSISDBHSA-N 1 1 347.463 0.752 50 0 ECAAMO Cc1ccsc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091426159 218003681 /nfs/dbraw/zinc/00/36/81/218003681.db2.gz LFVNGQNMXCNFKZ-HUUCEWRRSA-N 1 1 337.489 0.984 50 0 ECAAMO CCS(=O)(=O)N[C@H]1C[N@@H+](CCCn2nnnc2C)C[C@@H]1C(C)C ZINC000091547513 218020386 /nfs/dbraw/zinc/02/03/86/218020386.db2.gz OBKZWOSZSQPQKD-KGLIPLIRSA-N 1 1 344.485 0.267 50 0 ECAAMO NC(=O)c1noc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)n1 ZINC000091706707 218051946 /nfs/dbraw/zinc/05/19/46/218051946.db2.gz DMOHPDYMWPFITO-GXTWGEPZSA-N 1 1 342.403 0.660 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)[nH]n1 ZINC000091746630 218058340 /nfs/dbraw/zinc/05/83/40/218058340.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n[nH]1 ZINC000091746630 218058344 /nfs/dbraw/zinc/05/83/44/218058344.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n[nH]1 ZINC000091746630 218058346 /nfs/dbraw/zinc/05/83/46/218058346.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)[nH]n1 ZINC000091746630 218058349 /nfs/dbraw/zinc/05/83/49/218058349.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)[nH]n1 ZINC000091746630 218058351 /nfs/dbraw/zinc/05/83/51/218058351.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n[nH]1 ZINC000091746630 218058353 /nfs/dbraw/zinc/05/83/53/218058353.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n[nH]1 ZINC000091746630 218058356 /nfs/dbraw/zinc/05/83/56/218058356.db2.gz WSFJRYKFBJCVPL-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000091997833 218100350 /nfs/dbraw/zinc/10/03/50/218100350.db2.gz FLIGRLRCNTUXJA-INIZCTEOSA-N 1 1 337.445 0.662 50 0 ECAAMO C[N@H+]1CCN(S(=O)(=O)c2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000091997833 218100352 /nfs/dbraw/zinc/10/03/52/218100352.db2.gz FLIGRLRCNTUXJA-INIZCTEOSA-N 1 1 337.445 0.662 50 0 ECAAMO COc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCNC2=O ZINC000092003785 218101726 /nfs/dbraw/zinc/10/17/26/218101726.db2.gz CSVXIEIZHWGXJC-GOSISDBHSA-N 1 1 331.416 0.914 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@@H]1CO ZINC000092037440 218107447 /nfs/dbraw/zinc/10/74/47/218107447.db2.gz YKLDRGJMINAMOI-ZIAGYGMSSA-N 1 1 325.409 0.550 50 0 ECAAMO CN1CC[C@@]2(CN(CC(=O)N3CCCCC3)CC[N@H+]2C)CCC1=O ZINC000092097028 218118556 /nfs/dbraw/zinc/11/85/56/218118556.db2.gz NUSWMTUFMXSVSG-GOSISDBHSA-N 1 1 336.480 0.627 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2CO)CC1 ZINC000092046525 218110966 /nfs/dbraw/zinc/11/09/66/218110966.db2.gz VMMABJFAIQWTQB-HZPDHXFCSA-N 1 1 332.448 0.400 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2CO)CC1 ZINC000092046525 218110967 /nfs/dbraw/zinc/11/09/67/218110967.db2.gz VMMABJFAIQWTQB-HZPDHXFCSA-N 1 1 332.448 0.400 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2CO)CC1 ZINC000092046525 218110968 /nfs/dbraw/zinc/11/09/68/218110968.db2.gz VMMABJFAIQWTQB-HZPDHXFCSA-N 1 1 332.448 0.400 50 0 ECAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000095362810 218296015 /nfs/dbraw/zinc/29/60/15/218296015.db2.gz LJZFCOFCUHSCHH-HNNXBMFYSA-N 1 1 347.463 0.770 50 0 ECAAMO CCOCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095373614 218305963 /nfs/dbraw/zinc/30/59/63/218305963.db2.gz NRCVJQCPRWUOIE-SFHVURJKSA-N 1 1 337.464 0.958 50 0 ECAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccn3nnnc3c1)C2 ZINC000095378967 218311064 /nfs/dbraw/zinc/31/10/64/218311064.db2.gz NIWFGBKNMAFWMB-TZMCWYRMSA-N 1 1 330.392 0.307 50 0 ECAAMO C[NH+](C)CCN1C[C@H](C(=O)NCc2n[nH]c3c2CCCCC3)CC1=O ZINC000095392888 218324988 /nfs/dbraw/zinc/32/49/88/218324988.db2.gz SCSZNJVUYBGEOY-CYBMUJFWSA-N 1 1 347.463 0.705 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000095398024 218330542 /nfs/dbraw/zinc/33/05/42/218330542.db2.gz RXPXXRQJJPLEOC-UHFFFAOYSA-N 1 1 341.415 0.766 50 0 ECAAMO C[NH+]1CCN(C(=O)Cn2ccc(NC(=O)Cc3cccs3)n2)CC1 ZINC000095399039 218331657 /nfs/dbraw/zinc/33/16/57/218331657.db2.gz YTCPLTGCUNULBK-UHFFFAOYSA-N 1 1 347.444 0.900 50 0 ECAAMO C[N@H+]1CCN2c3ccc(N)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245327299 258000134 /nfs/dbraw/zinc/00/01/34/258000134.db2.gz OCFXTFSAEODUHM-GFCCVEGCSA-N 1 1 329.360 0.342 50 0 ECAAMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000343080767 258001908 /nfs/dbraw/zinc/00/19/08/258001908.db2.gz GQOIAUNIXVHROB-BZUAXINKSA-N 1 1 338.496 0.380 50 0 ECAAMO CO[C@]12CC[N@@H+](CCCn3cnnn3)[C@H]1C[C@H](OCCO)CC2 ZINC000299785296 258092378 /nfs/dbraw/zinc/09/23/78/258092378.db2.gz XEBBOWRWDLWIBJ-QLFBSQMISA-N 1 1 325.413 0.084 50 0 ECAAMO COc1ccccc1C[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 ZINC000299791405 258097112 /nfs/dbraw/zinc/09/71/12/258097112.db2.gz FFFPOXUVGXEWFM-ZIAGYGMSSA-N 1 1 343.449 0.026 50 0 ECAAMO COc1ccccc1C[N@H+]1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 ZINC000299791405 258097114 /nfs/dbraw/zinc/09/71/14/258097114.db2.gz FFFPOXUVGXEWFM-ZIAGYGMSSA-N 1 1 343.449 0.026 50 0 ECAAMO COCCc1noc([C@@H](C)NC(=O)CC[NH+]2CCN(C)CC2)n1 ZINC000299792658 258098112 /nfs/dbraw/zinc/09/81/12/258098112.db2.gz GMBDQHWVPPKLQT-GFCCVEGCSA-N 1 1 325.413 0.073 50 0 ECAAMO Nc1nc(N2CCC(O)(Cn3ccnc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299796988 258100829 /nfs/dbraw/zinc/10/08/29/258100829.db2.gz OQARCHXEAKPSGT-ZDUSSCGKSA-N 1 1 344.419 0.791 50 0 ECAAMO C[C@H](NC(=O)c1ccco1)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000170614458 258071311 /nfs/dbraw/zinc/07/13/11/258071311.db2.gz CHOWDJWSXBWUEP-LBPRGKRZSA-N 1 1 345.403 0.917 50 0 ECAAMO CCn1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1=O ZINC000299767836 258082343 /nfs/dbraw/zinc/08/23/43/258082343.db2.gz VYUDBPKXCJMECY-UHFFFAOYSA-N 1 1 334.420 0.104 50 0 ECAAMO CCn1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1=O ZINC000299767836 258082345 /nfs/dbraw/zinc/08/23/45/258082345.db2.gz VYUDBPKXCJMECY-UHFFFAOYSA-N 1 1 334.420 0.104 50 0 ECAAMO CC[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C[C@@H](C)O ZINC000072279755 287193781 /nfs/dbraw/zinc/19/37/81/287193781.db2.gz BTGKTYVLBRGJTE-CHWSQXEVSA-N 1 1 326.441 0.094 50 0 ECAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)C1=O ZINC000091690641 277072423 /nfs/dbraw/zinc/07/24/23/277072423.db2.gz RUPCUKPHRILDOZ-SFHVURJKSA-N 1 1 345.447 0.758 50 0 ECAAMO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000053615820 277325234 /nfs/dbraw/zinc/32/52/34/277325234.db2.gz UJSINLVBJAPAPY-VIFPVBQESA-N 1 1 339.314 0.792 50 0 ECAAMO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000053615820 277325237 /nfs/dbraw/zinc/32/52/37/277325237.db2.gz UJSINLVBJAPAPY-VIFPVBQESA-N 1 1 339.314 0.792 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000089937905 288068279 /nfs/dbraw/zinc/06/82/79/288068279.db2.gz HYEMKDZZVGPWLL-ZWNOBZJWSA-N 1 1 334.342 0.723 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000089937905 288068280 /nfs/dbraw/zinc/06/82/80/288068280.db2.gz HYEMKDZZVGPWLL-ZWNOBZJWSA-N 1 1 334.342 0.723 50 0 ECAAMO NC(=O)C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CCCC1 ZINC000052844313 295043071 /nfs/dbraw/zinc/04/30/71/295043071.db2.gz MPDRYVCAQYJJLU-UHFFFAOYSA-N 1 1 344.459 0.895 50 0 ECAAMO NC(=O)C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1CCCC1 ZINC000052844313 295043072 /nfs/dbraw/zinc/04/30/72/295043072.db2.gz MPDRYVCAQYJJLU-UHFFFAOYSA-N 1 1 344.459 0.895 50 0 ECAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069697898 435958586 /nfs/dbraw/zinc/95/85/86/435958586.db2.gz ZQLRFWBHQKQAAZ-HZPDHXFCSA-N 1 1 347.463 0.831 50 0 ECAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000069697898 435958588 /nfs/dbraw/zinc/95/85/88/435958588.db2.gz ZQLRFWBHQKQAAZ-HZPDHXFCSA-N 1 1 347.463 0.831 50 0 ECAAMO CCC[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000069771442 435965679 /nfs/dbraw/zinc/96/56/79/435965679.db2.gz BYHQRTMLOOGXRP-MRXNPFEDSA-N 1 1 335.452 0.759 50 0 ECAAMO CCC[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000069771442 435965683 /nfs/dbraw/zinc/96/56/83/435965683.db2.gz BYHQRTMLOOGXRP-MRXNPFEDSA-N 1 1 335.452 0.759 50 0 ECAAMO O[C@@H](Cn1cccn1)CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069776645 435966365 /nfs/dbraw/zinc/96/63/65/435966365.db2.gz PFYGFCMSKQYITI-QZTJIDSGSA-N 1 1 330.432 0.595 50 0 ECAAMO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000069817386 435968315 /nfs/dbraw/zinc/96/83/15/435968315.db2.gz MCOVWXRRTRCBQI-SJORKVTESA-N 1 1 332.404 0.557 50 0 ECAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000069817386 435968321 /nfs/dbraw/zinc/96/83/21/435968321.db2.gz MCOVWXRRTRCBQI-SJORKVTESA-N 1 1 332.404 0.557 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000069841034 435969564 /nfs/dbraw/zinc/96/95/64/435969564.db2.gz ATPGSUAUAHOGHS-OAHLLOKOSA-N 1 1 328.416 0.940 50 0 ECAAMO COc1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000069921452 435977771 /nfs/dbraw/zinc/97/77/71/435977771.db2.gz VXJHHSLQPACLOF-CQSZACIVSA-N 1 1 348.447 0.633 50 0 ECAAMO COC1=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@]3(O)[C@@H]1O)OCO4 ZINC000005997758 435994048 /nfs/dbraw/zinc/99/40/48/435994048.db2.gz MVSKPPYUIBULOR-SQNIBIBYSA-N 1 1 331.368 0.898 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1F ZINC000000077232 435950430 /nfs/dbraw/zinc/95/04/30/435950430.db2.gz QBJRABMOPULTHF-ZDUSSCGKSA-N 1 1 349.362 0.664 50 0 ECAAMO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000000193627 435952598 /nfs/dbraw/zinc/95/25/98/435952598.db2.gz PGUWEBSYSVRODB-UHFFFAOYSA-N 1 1 337.445 0.963 50 0 ECAAMO COc1ccc(CNC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000069627845 435953098 /nfs/dbraw/zinc/95/30/98/435953098.db2.gz BJWDYUBYOQRPIH-GJZGRUSLSA-N 1 1 335.448 0.698 50 0 ECAAMO C[C@H]1CN(C(=O)CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCO1 ZINC000069625093 435954350 /nfs/dbraw/zinc/95/43/50/435954350.db2.gz NYVTUKCYQOYQBC-FUHWJXTLSA-N 1 1 347.459 0.585 50 0 ECAAMO O[C@H](C[NH+]1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 ZINC000069665468 435957774 /nfs/dbraw/zinc/95/77/74/435957774.db2.gz NVZBWYHTWAJUFM-CQSZACIVSA-N 1 1 325.376 0.375 50 0 ECAAMO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)cc(=O)n2c1 ZINC000071830541 436016254 /nfs/dbraw/zinc/01/62/54/436016254.db2.gz WKXPGXXMZGAOHQ-OAHLLOKOSA-N 1 1 341.415 0.993 50 0 ECAAMO Cc1ccc2nc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)cc(=O)n2c1 ZINC000071830541 436016262 /nfs/dbraw/zinc/01/62/62/436016262.db2.gz WKXPGXXMZGAOHQ-OAHLLOKOSA-N 1 1 341.415 0.993 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 ZINC000071864714 436019989 /nfs/dbraw/zinc/01/99/89/436019989.db2.gz LCGBFYIZRPYYNU-UHFFFAOYSA-N 1 1 329.404 0.939 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 ZINC000071864714 436019993 /nfs/dbraw/zinc/01/99/93/436019993.db2.gz LCGBFYIZRPYYNU-UHFFFAOYSA-N 1 1 329.404 0.939 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCO[C@H](Cn2cncn2)C1 ZINC000071877041 436024079 /nfs/dbraw/zinc/02/40/79/436024079.db2.gz XCYPVBFOZPMOOP-MSOLQXFVSA-N 1 1 345.447 0.472 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CNc1nc2nonc2nc1N1CCOCC1 ZINC000019742736 436108092 /nfs/dbraw/zinc/10/80/92/436108092.db2.gz WZSUYMJROLAZSL-LLVKDONJSA-N 1 1 333.396 0.746 50 0 ECAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCNC(=O)C1 ZINC000024226796 436131696 /nfs/dbraw/zinc/13/16/96/436131696.db2.gz NLGCUXCOXQHTLQ-UHFFFAOYSA-N 1 1 325.796 0.609 50 0 ECAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCNC(=O)C1 ZINC000024226796 436131705 /nfs/dbraw/zinc/13/17/05/436131705.db2.gz NLGCUXCOXQHTLQ-UHFFFAOYSA-N 1 1 325.796 0.609 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000025228784 436148015 /nfs/dbraw/zinc/14/80/15/436148015.db2.gz QAJJOUCAMRGKPP-UHFFFAOYSA-N 1 1 333.388 0.413 50 0 ECAAMO C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C[NH+]1CCOCC1 ZINC000075143404 436153259 /nfs/dbraw/zinc/15/32/59/436153259.db2.gz UYCFCEWGTFTWLF-LBPRGKRZSA-N 1 1 333.388 0.716 50 0 ECAAMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027557496 436180177 /nfs/dbraw/zinc/18/01/77/436180177.db2.gz TUTVBUMOBMRPPL-SNVBAGLBSA-N 1 1 348.378 0.681 50 0 ECAAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027557496 436180181 /nfs/dbraw/zinc/18/01/81/436180181.db2.gz TUTVBUMOBMRPPL-SNVBAGLBSA-N 1 1 348.378 0.681 50 0 ECAAMO CN(CC(=O)N1CCC[N@@H+](C)CC1)S(=O)(=O)c1cccs1 ZINC000032716595 436242412 /nfs/dbraw/zinc/24/24/12/436242412.db2.gz OFZRMOLDWUHLKL-UHFFFAOYSA-N 1 1 331.463 0.533 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c(=O)n(C)c1=O ZINC000029483440 436202572 /nfs/dbraw/zinc/20/25/72/436202572.db2.gz IMIOIGOJLZZKPI-ZDUSSCGKSA-N 1 1 342.399 0.468 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(=O)n(C)c1=O ZINC000029483440 436202577 /nfs/dbraw/zinc/20/25/77/436202577.db2.gz IMIOIGOJLZZKPI-ZDUSSCGKSA-N 1 1 342.399 0.468 50 0 ECAAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncnc3c2cnn3C)CC1 ZINC000031526462 436230011 /nfs/dbraw/zinc/23/00/11/436230011.db2.gz LXPQDORXEYAJGN-UHFFFAOYSA-N 1 1 345.451 0.744 50 0 ECAAMO C[N@H+](C[C@H](O)COCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000032721079 436243370 /nfs/dbraw/zinc/24/33/70/436243370.db2.gz PBXSPBSLSXUGSR-KGLIPLIRSA-N 1 1 331.409 0.822 50 0 ECAAMO C[N@@H+](C[C@H](O)COCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000032721079 436243374 /nfs/dbraw/zinc/24/33/74/436243374.db2.gz PBXSPBSLSXUGSR-KGLIPLIRSA-N 1 1 331.409 0.822 50 0 ECAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032811209 436245071 /nfs/dbraw/zinc/24/50/71/436245071.db2.gz IZQRRXKVRNPTAP-VHSXEESVSA-N 1 1 348.378 0.727 50 0 ECAAMO COCCNC(=O)N1CC[NH+](CCn2c(C)nc3cccnc32)CC1 ZINC000033139718 436251442 /nfs/dbraw/zinc/25/14/42/436251442.db2.gz AUGJAEPYBMQKDW-UHFFFAOYSA-N 1 1 346.435 0.713 50 0 ECAAMO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)C1=O ZINC000078899330 436282629 /nfs/dbraw/zinc/28/26/29/436282629.db2.gz HWYIAYZAVXQWLY-DYVFJYSZSA-N 1 1 332.404 0.538 50 0 ECAAMO CC[C@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1[NH+]1CCOCC1 ZINC000084736077 436384557 /nfs/dbraw/zinc/38/45/57/436384557.db2.gz HSQDFVZUPNEMPE-DZGCQCFKSA-N 1 1 334.420 0.446 50 0 ECAAMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CO)CC1 ZINC000046090970 436386297 /nfs/dbraw/zinc/38/62/97/436386297.db2.gz JFYBKQDWHNNCQI-KRWDZBQOSA-N 1 1 346.427 0.817 50 0 ECAAMO COCCNC(=O)CN1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000085436949 436390104 /nfs/dbraw/zinc/39/01/04/436390104.db2.gz VQWLHOGMIGJJBN-ZDUSSCGKSA-N 1 1 327.450 0.162 50 0 ECAAMO COc1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000085466894 436390272 /nfs/dbraw/zinc/39/02/72/436390272.db2.gz RGQOUXAAFJMPNK-ZDUSSCGKSA-N 1 1 337.420 0.912 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)o1 ZINC000046672790 436398124 /nfs/dbraw/zinc/39/81/24/436398124.db2.gz CVLUNTVVPAJRDB-JTQLQIEISA-N 1 1 341.389 0.813 50 0 ECAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Cn2cnnn2)C[C@H](C)O1 ZINC000048331480 436449824 /nfs/dbraw/zinc/44/98/24/436449824.db2.gz XHHLUXLGYLARRA-KBPBESRZSA-N 1 1 344.419 0.599 50 0 ECAAMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000095395021 436493941 /nfs/dbraw/zinc/49/39/41/436493941.db2.gz BSAWCVWTOMUBSU-CYBMUJFWSA-N 1 1 340.449 0.671 50 0 ECAAMO CC1(C)OC(=O)N(CC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)C1=O ZINC000095506245 436498300 /nfs/dbraw/zinc/49/83/00/436498300.db2.gz CMCUCQYJTRGEIW-ZDUSSCGKSA-N 1 1 331.372 0.917 50 0 ECAAMO CN(C)C(=O)CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095523706 436499813 /nfs/dbraw/zinc/49/98/13/436499813.db2.gz NOOMLYDCGMGPSF-MRXNPFEDSA-N 1 1 333.432 0.560 50 0 ECAAMO CN(C)C(=O)CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095523705 436500099 /nfs/dbraw/zinc/50/00/99/436500099.db2.gz NOOMLYDCGMGPSF-INIZCTEOSA-N 1 1 333.432 0.560 50 0 ECAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3CC(N)=O)CC2)C1 ZINC000095525823 436500236 /nfs/dbraw/zinc/50/02/36/436500236.db2.gz SODZYXWYVGMHSQ-CQSZACIVSA-N 1 1 333.436 0.416 50 0 ECAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)CC1 ZINC000095528646 436500374 /nfs/dbraw/zinc/50/03/74/436500374.db2.gz YMKRYZJOTAMXHO-HNNXBMFYSA-N 1 1 345.399 0.743 50 0 ECAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N(C)C)nc1 ZINC000096402801 436530868 /nfs/dbraw/zinc/53/08/68/436530868.db2.gz KVHAXOMIEZYPTH-HNNXBMFYSA-N 1 1 347.463 0.820 50 0 ECAAMO CCNC(=O)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000096968007 436535349 /nfs/dbraw/zinc/53/53/49/436535349.db2.gz WEAAHAXAQFGHOO-CYBMUJFWSA-N 1 1 327.450 0.973 50 0 ECAAMO O=C([O-])C[N@H+]1CCC2(CC[NH+](C3CCOCC3)CC2)[C@H](CO)C1 ZINC000097098817 436537903 /nfs/dbraw/zinc/53/79/03/436537903.db2.gz CRNBRLMIHUUWSL-AWEZNQCLSA-N 1 1 326.437 0.646 50 0 ECAAMO Cc1n[nH]c(C)c1C[N@H+]1CCN(CC[NH+]2CCCC2)C[C@H](C(=O)[O-])C1 ZINC000097675222 436544490 /nfs/dbraw/zinc/54/44/90/436544490.db2.gz QGTDNGSGWMZSAK-INIZCTEOSA-N 1 1 349.479 0.941 50 0 ECAAMO CCOc1ccc(C[N@H+](CC)CC(=O)N2CCNC(=O)C2)cc1OC ZINC000058245813 436622162 /nfs/dbraw/zinc/62/21/62/436622162.db2.gz CXUYKTLJVHTIDX-UHFFFAOYSA-N 1 1 349.431 0.874 50 0 ECAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)N2CCNC(=O)C2)cc1OC ZINC000058245813 436622164 /nfs/dbraw/zinc/62/21/64/436622164.db2.gz CXUYKTLJVHTIDX-UHFFFAOYSA-N 1 1 349.431 0.874 50 0 ECAAMO CC[N@H+]1CCC[C@@H](CNC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000058276121 436623379 /nfs/dbraw/zinc/62/33/79/436623379.db2.gz CSICAYYCXQMSNI-AWEZNQCLSA-N 1 1 345.509 0.896 50 0 ECAAMO Cc1cccn2c(=O)cc(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)nc12 ZINC000106868029 436603876 /nfs/dbraw/zinc/60/38/76/436603876.db2.gz FZMJLPQCOCJHIP-GJZGRUSLSA-N 1 1 330.432 0.890 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC000107058212 436608105 /nfs/dbraw/zinc/60/81/05/436608105.db2.gz UKSPMGKXWYZPEY-KDOFPFPSSA-N 1 1 333.480 0.984 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000108087105 436616274 /nfs/dbraw/zinc/61/62/74/436616274.db2.gz DACHCELCWGMZQY-LSDHHAIUSA-N 1 1 346.435 0.711 50 0 ECAAMO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000108484404 436619010 /nfs/dbraw/zinc/61/90/10/436619010.db2.gz OQNLCHPTPWWJAG-VWPFQQQWSA-N 1 1 326.437 0.878 50 0 ECAAMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCO2 ZINC000058158883 436620932 /nfs/dbraw/zinc/62/09/32/436620932.db2.gz DBWGHKJBAFXLNT-KGLIPLIRSA-N 1 1 338.429 0.763 50 0 ECAAMO COc1cccc(C(=O)N2CCN=C2N2CC[NH+](C)CC2)c1OC ZINC000065306404 436654560 /nfs/dbraw/zinc/65/45/60/436654560.db2.gz YJROHFXQOSUYBK-UHFFFAOYSA-N 1 1 332.404 0.763 50 0 ECAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCc1cnn(C)c1 ZINC000195571519 436693986 /nfs/dbraw/zinc/69/39/86/436693986.db2.gz YOMOEFQBDITKHK-AWEZNQCLSA-N 1 1 337.468 0.839 50 0 ECAAMO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)C1=O ZINC000229311701 436714894 /nfs/dbraw/zinc/71/48/94/436714894.db2.gz WZCVOHDAXWYSQT-HBUWYVDXSA-N 1 1 344.415 0.865 50 0 ECAAMO Cc1c[nH+]ccc1N1CCCN(C(=O)CN2CCC[C@H](O)C2)CC1 ZINC000221251489 436701653 /nfs/dbraw/zinc/70/16/53/436701653.db2.gz OAEOYBIUOHMRBF-INIZCTEOSA-N 1 1 332.448 0.885 50 0 ECAAMO CC[N@@H+]1CCc2ncnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c2C1 ZINC000065487707 436664199 /nfs/dbraw/zinc/66/41/99/436664199.db2.gz YSKCCCCLZUUYOC-MRXNPFEDSA-N 1 1 345.447 0.682 50 0 ECAAMO CC[N@H+]1CCc2ncnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c2C1 ZINC000065487707 436664205 /nfs/dbraw/zinc/66/42/05/436664205.db2.gz YSKCCCCLZUUYOC-MRXNPFEDSA-N 1 1 345.447 0.682 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)OC(C)(C)C)C1 ZINC000065520445 436664682 /nfs/dbraw/zinc/66/46/82/436664682.db2.gz DTMXUGXYBNYMFS-CYBMUJFWSA-N 1 1 329.441 0.984 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2C)CC1 ZINC000229307191 436714551 /nfs/dbraw/zinc/71/45/51/436714551.db2.gz WZWSEQRNUKMNGF-DOTOQJQBSA-N 1 1 336.480 0.483 50 0 ECAAMO COCCN(C)c1ccc(C[NH2+][C@H](C)CN2CCN(C)CC2)cn1 ZINC000240444227 436757522 /nfs/dbraw/zinc/75/75/22/436757522.db2.gz FWTUDMMQTDRYIA-MRXNPFEDSA-N 1 1 335.496 0.890 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C)CC1 ZINC000229307997 436715452 /nfs/dbraw/zinc/71/54/52/436715452.db2.gz KPTKNUKZUFJFQM-KBXCAEBGSA-N 1 1 344.459 0.770 50 0 ECAAMO CCCCn1nnnc1CN1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306171 436715481 /nfs/dbraw/zinc/71/54/81/436715481.db2.gz RQVYEBXBPIIYFM-HOCLYGCPSA-N 1 1 349.483 0.458 50 0 ECAAMO COC(=O)[C@H](CN1C[C@H](C)O[C@@H](C)C1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247830867 436797070 /nfs/dbraw/zinc/79/70/70/436797070.db2.gz LEXVGNFFEWQWQU-RFBLXINOSA-N 1 1 328.453 0.994 50 0 ECAAMO COC(=O)[C@H](CN1C[C@H](C)O[C@@H](C)C1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247830867 436797071 /nfs/dbraw/zinc/79/70/71/436797071.db2.gz LEXVGNFFEWQWQU-RFBLXINOSA-N 1 1 328.453 0.994 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cnn(C)c2C)CC1=O ZINC000247980811 436799374 /nfs/dbraw/zinc/79/93/74/436799374.db2.gz HJPIYGJAOFGTJE-GOEBONIOSA-N 1 1 347.463 0.678 50 0 ECAAMO Nc1nc([C@H]2C[C@@H](O)C2)cc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000252532933 436837808 /nfs/dbraw/zinc/83/78/08/436837808.db2.gz FLXPGYCCACZBMN-GASCZTMLSA-N 1 1 347.463 0.846 50 0 ECAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccnc(-n3cnnc3)c2)C[C@H](C)O1 ZINC000299755163 437109324 /nfs/dbraw/zinc/10/93/24/437109324.db2.gz AVYYWMJZTHCCLG-OKILXGFUSA-N 1 1 344.419 0.891 50 0 ECAAMO COc1cccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N2CCCC2)c1 ZINC000277348965 437210904 /nfs/dbraw/zinc/21/09/04/437210904.db2.gz BKJZKPUCFGDAPC-UAGQMJEPSA-N 1 1 333.432 0.671 50 0 ECAAMO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000192074953 437663356 /nfs/dbraw/zinc/66/33/56/437663356.db2.gz CSWQXJNIHJFKFI-INIZCTEOSA-N 1 1 339.399 0.323 50 0 ECAAMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000192074953 437663362 /nfs/dbraw/zinc/66/33/62/437663362.db2.gz CSWQXJNIHJFKFI-INIZCTEOSA-N 1 1 339.399 0.323 50 0 ECAAMO Cc1cc(N2CC[NH+](CCN3CCOC[C@H]3C)CC2)n2ncnc2n1 ZINC000192711318 437688583 /nfs/dbraw/zinc/68/85/83/437688583.db2.gz PJOZFOGSNZLUTJ-OAHLLOKOSA-N 1 1 345.451 0.275 50 0 ECAAMO Cc1nn(C)c2sc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000193530011 437711818 /nfs/dbraw/zinc/71/18/18/437711818.db2.gz JOJAMUFOLJVHCX-UHFFFAOYSA-N 1 1 349.460 0.837 50 0 ECAAMO COCC[N@H+]1CCC[C@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1 ZINC000426619972 438067120 /nfs/dbraw/zinc/06/71/20/438067120.db2.gz DZBNKBKNJVDVLS-ZDUSSCGKSA-N 1 1 336.440 0.451 50 0 ECAAMO CC(C)SCC[N@@H+]1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000408518803 438581730 /nfs/dbraw/zinc/58/17/30/438581730.db2.gz BMJZNIZMBAVZOU-ZDUSSCGKSA-N 1 1 326.466 1.035 50 0 ECAAMO CC(C)SCC[N@H+]1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000408518803 438581732 /nfs/dbraw/zinc/58/17/32/438581732.db2.gz BMJZNIZMBAVZOU-ZDUSSCGKSA-N 1 1 326.466 1.035 50 0 ECAAMO CCCCCC[C@@](O)(C[N@@H+]1CCO[C@@H](C(=O)NC)C1)C(=O)OC ZINC000408524441 438582396 /nfs/dbraw/zinc/58/23/96/438582396.db2.gz UNIDRNMTXXGWIT-CZUORRHYSA-N 1 1 330.425 0.308 50 0 ECAAMO CCCCCC[C@@](O)(C[N@H+]1CCO[C@@H](C(=O)NC)C1)C(=O)OC ZINC000408524441 438582397 /nfs/dbraw/zinc/58/23/97/438582397.db2.gz UNIDRNMTXXGWIT-CZUORRHYSA-N 1 1 330.425 0.308 50 0 ECAAMO CN(C)c1nc(N)nc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000584906703 439626478 /nfs/dbraw/zinc/62/64/78/439626478.db2.gz VEGJQBHELUOJDL-OKILXGFUSA-N 1 1 339.447 1.088 50 0 ECAAMO CN(C)c1nc(N)nc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000584906703 439626483 /nfs/dbraw/zinc/62/64/83/439626483.db2.gz VEGJQBHELUOJDL-OKILXGFUSA-N 1 1 339.447 1.088 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000229517179 535524087 /nfs/dbraw/zinc/52/40/87/535524087.db2.gz LBAYYUOAMCLDPK-BFHYXJOUSA-N 1 1 339.436 0.374 50 0 ECAAMO C[N@@H+](CCCO)C1CCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000083860836 545707821 /nfs/dbraw/zinc/70/78/21/545707821.db2.gz HUPSLYDUUHGLPJ-UHFFFAOYSA-N 1 1 335.448 0.829 50 0 ECAAMO Cc1nnc2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cn12 ZINC000084297018 545710583 /nfs/dbraw/zinc/71/05/83/545710583.db2.gz DDVUVUFYUFYPGA-GJZGRUSLSA-N 1 1 329.404 0.709 50 0 ECAAMO CCc1nc(SCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)n[nH]1 ZINC000244724222 545935384 /nfs/dbraw/zinc/93/53/84/545935384.db2.gz MQDHMGZCIGYNDU-GHORINQJSA-N 1 1 325.438 0.293 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000585094187 546287955 /nfs/dbraw/zinc/28/79/55/546287955.db2.gz NRJKDGZSEHLWHA-KBPBESRZSA-N 1 1 338.452 0.897 50 0 ECAAMO CO[C@@H](C)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000585083455 586779265 /nfs/dbraw/zinc/77/92/65/586779265.db2.gz JFWUAECZXKLAOH-ZDUSSCGKSA-N 1 1 347.415 0.708 50 0 ECAAMO CCCS(=O)(=O)N1CCc2nc(N3CC[NH+](C)CC3)sc2C1 ZINC000169751838 609744861 /nfs/dbraw/zinc/74/48/61/609744861.db2.gz XJNXVVRCCCQDEG-UHFFFAOYSA-N 1 1 344.506 0.993 50 0 ECAAMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1C(=O)N(C)C ZINC000952971562 612139235 /nfs/dbraw/zinc/13/92/35/612139235.db2.gz SPOPYXFMJYZRGY-ZDUSSCGKSA-N 1 1 348.447 0.971 50 0 ECAAMO Cn1ccnc1C1CCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952985833 612140412 /nfs/dbraw/zinc/14/04/12/612140412.db2.gz FCQGIJLDMXLYMO-AWEZNQCLSA-N 1 1 333.436 0.323 50 0 ECAAMO Cn1ccnc1-c1ccccc1C(=O)N1CC[NH+](CCC(N)=O)CC1 ZINC000020601552 740190731 /nfs/dbraw/zinc/19/07/31/740190731.db2.gz FAKFTJXZRQEWAH-UHFFFAOYSA-N 1 1 341.415 0.720 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccn3)CC[C@@]2(CO)C1 ZINC000675020236 741337933 /nfs/dbraw/zinc/33/79/33/741337933.db2.gz CYQZNIBDQDPTBL-HIFRSBDPSA-N 1 1 325.434 0.157 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccn3)CC[C@@]2(CO)C1 ZINC000675020236 741337938 /nfs/dbraw/zinc/33/79/38/741337938.db2.gz CYQZNIBDQDPTBL-HIFRSBDPSA-N 1 1 325.434 0.157 50 0 ECAAMO Cn1nccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)sc2C1 ZINC000169751839 759383899 /nfs/dbraw/zinc/38/38/99/759383899.db2.gz APZVXEHMLZEBMU-UHFFFAOYSA-N 1 1 346.460 0.827 50 0 ECAAMO O=C(NCc1cc2n(n1)CCNC2)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097634936 219042937 /nfs/dbraw/zinc/04/29/37/219042937.db2.gz DHEUHPFWNNUFFL-CQSZACIVSA-N 1 1 347.463 0.494 50 0 ECAAMO O=C(NCc1cc2n(n1)CCNC2)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000097634936 219042938 /nfs/dbraw/zinc/04/29/38/219042938.db2.gz DHEUHPFWNNUFFL-CQSZACIVSA-N 1 1 347.463 0.494 50 0 ECAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000052961288 214157281 /nfs/dbraw/zinc/15/72/81/214157281.db2.gz FEQMKICUZJTBDD-JSGCOSHPSA-N 1 1 349.431 0.558 50 0 ECAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097681879 219047565 /nfs/dbraw/zinc/04/75/65/219047565.db2.gz PQHAMHJQLYFQIJ-AWEZNQCLSA-N 1 1 334.420 0.444 50 0 ECAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097681880 219047987 /nfs/dbraw/zinc/04/79/87/219047987.db2.gz PQHAMHJQLYFQIJ-CQSZACIVSA-N 1 1 334.420 0.444 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097773191 219055805 /nfs/dbraw/zinc/05/58/05/219055805.db2.gz WDWBEWADCZNGMW-OAHLLOKOSA-N 1 1 348.447 0.834 50 0 ECAAMO CN1CCN(c2c(=O)c(=O)c2NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000101686932 219156357 /nfs/dbraw/zinc/15/63/57/219156357.db2.gz HGDDUKDHYCPWJR-HNNXBMFYSA-N 1 1 342.443 0.749 50 0 ECAAMO CN(Cc1n[nH]c2c1CCCC2)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2 ZINC000067588676 215165915 /nfs/dbraw/zinc/16/59/15/215165915.db2.gz HKFJQWYFCVJWNJ-UHFFFAOYSA-N 1 1 328.420 0.696 50 0 ECAAMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000067541632 215160181 /nfs/dbraw/zinc/16/01/81/215160181.db2.gz KHEPOZZQXUUZRG-ZDUSSCGKSA-N 1 1 332.383 0.841 50 0 ECAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000067629816 215170460 /nfs/dbraw/zinc/17/04/60/215170460.db2.gz BXGXDIHBEJINBN-GFCCVEGCSA-N 1 1 343.424 0.754 50 0 ECAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000067818601 215219813 /nfs/dbraw/zinc/21/98/13/215219813.db2.gz YLYRLKVTDBGJOE-GFCCVEGCSA-N 1 1 345.490 0.827 50 0 ECAAMO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H]1COc2ccccc2O1 ZINC000040477853 213314092 /nfs/dbraw/zinc/31/40/92/213314092.db2.gz GQQYIOYITUPIOT-CQSZACIVSA-N 1 1 345.399 0.746 50 0 ECAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000240668542 283092259 /nfs/dbraw/zinc/09/22/59/283092259.db2.gz HNFNEKDEVZYKPK-LSDHHAIUSA-N 1 1 343.493 0.937 50 0 ECAAMO Cc1occc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072133125 216022139 /nfs/dbraw/zinc/02/21/39/216022139.db2.gz VGBBYRXZPMVDID-HNNXBMFYSA-N 1 1 328.372 0.713 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1cc(=O)[nH]cn1 ZINC000072144200 216031187 /nfs/dbraw/zinc/03/11/87/216031187.db2.gz MKUFTBPJFNERHP-AWEZNQCLSA-N 1 1 349.435 0.078 50 0 ECAAMO Cc1cc2nc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)cc(C)n2n1 ZINC000072158235 216048316 /nfs/dbraw/zinc/04/83/16/216048316.db2.gz WMTCIGJZWWYWIU-AWEZNQCLSA-N 1 1 342.403 0.039 50 0 ECAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCOCC1 ZINC000072293086 216128453 /nfs/dbraw/zinc/12/84/53/216128453.db2.gz MBJCWPPZSNFCEH-GOSISDBHSA-N 1 1 347.459 0.726 50 0 ECAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCOCC1 ZINC000072293086 216128456 /nfs/dbraw/zinc/12/84/56/216128456.db2.gz MBJCWPPZSNFCEH-GOSISDBHSA-N 1 1 347.459 0.726 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072432204 216224900 /nfs/dbraw/zinc/22/49/00/216224900.db2.gz WHZKVSPDZOVBEL-AWEZNQCLSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072432204 216224902 /nfs/dbraw/zinc/22/49/02/216224902.db2.gz WHZKVSPDZOVBEL-AWEZNQCLSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072432204 216224905 /nfs/dbraw/zinc/22/49/05/216224905.db2.gz WHZKVSPDZOVBEL-AWEZNQCLSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072432204 216224906 /nfs/dbraw/zinc/22/49/06/216224906.db2.gz WHZKVSPDZOVBEL-AWEZNQCLSA-N 1 1 345.451 0.750 50 0 ECAAMO CNCc1cn(C[C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC000023158885 212356555 /nfs/dbraw/zinc/35/65/55/212356555.db2.gz UXIYXVKRRWHLKT-INIZCTEOSA-N 1 1 348.495 0.968 50 0 ECAAMO COc1ccc(Nc2nc(N)nc(CN3CC[NH+](C)CC3)n2)cc1 ZINC000022829296 212327114 /nfs/dbraw/zinc/32/71/14/212327114.db2.gz KEEGSNUCHFOSCJ-UHFFFAOYSA-N 1 1 329.408 0.953 50 0 ECAAMO CCN(CC)CC[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000022790300 212325319 /nfs/dbraw/zinc/32/53/19/212325319.db2.gz WWMLWDGXLUCOQY-UHFFFAOYSA-N 1 1 328.438 0.204 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2CCc3[nH]c(-c4cn[nH]c4)nc3C2)CC1 ZINC000215756955 241142442 /nfs/dbraw/zinc/14/24/42/241142442.db2.gz QQQQPBPSAXFMFN-UHFFFAOYSA-N 1 1 343.435 0.322 50 0 ECAAMO C[N@@H+]1CCCN(CC(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)CC1 ZINC000215756955 241142449 /nfs/dbraw/zinc/14/24/49/241142449.db2.gz QQQQPBPSAXFMFN-UHFFFAOYSA-N 1 1 343.435 0.322 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)CC1 ZINC000215756955 241142453 /nfs/dbraw/zinc/14/24/53/241142453.db2.gz QQQQPBPSAXFMFN-UHFFFAOYSA-N 1 1 343.435 0.322 50 0 ECAAMO CC[N@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)cc3c2O)[C@@H](OC)C1 ZINC000219274261 241371842 /nfs/dbraw/zinc/37/18/42/241371842.db2.gz KBBWBJMFBSPXHS-HOTGVXAUSA-N 1 1 345.399 0.986 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCN(c3ncnc(C)c3C)C[C@H](O)C2)CC1 ZINC000225343224 241826397 /nfs/dbraw/zinc/82/63/97/241826397.db2.gz XYHSMGWIUBPNFN-QGZVFWFLSA-N 1 1 347.463 0.587 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)NCCN1CCCOC1=O)c1ccc2c(c1)OCO2 ZINC000244742268 243074269 /nfs/dbraw/zinc/07/42/69/243074269.db2.gz OESIFGQCHSGGGQ-OAHLLOKOSA-N 1 1 349.387 0.977 50 0 ECAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000244840384 243089238 /nfs/dbraw/zinc/08/92/38/243089238.db2.gz UMIJZDYHTVTHDR-STQMWFEESA-N 1 1 334.376 0.597 50 0 ECAAMO C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000019793924 212069056 /nfs/dbraw/zinc/06/90/56/212069056.db2.gz WEVQSUVHBYRMIA-UHFFFAOYSA-N 1 1 336.461 0.912 50 0 ECAAMO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](CCO)CC2)cc1 ZINC000019815302 212071722 /nfs/dbraw/zinc/07/17/22/212071722.db2.gz MIDOCPMLCJRCMO-UHFFFAOYSA-N 1 1 337.445 0.709 50 0 ECAAMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000078611065 217086806 /nfs/dbraw/zinc/08/68/06/217086806.db2.gz ICXKDHSDVPOBBE-NSHDSACASA-N 1 1 340.424 0.916 50 0 ECAAMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000078611065 217086809 /nfs/dbraw/zinc/08/68/09/217086809.db2.gz ICXKDHSDVPOBBE-NSHDSACASA-N 1 1 340.424 0.916 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000079050351 217181890 /nfs/dbraw/zinc/18/18/90/217181890.db2.gz YPFIBHFFBDGNDA-CYBMUJFWSA-N 1 1 345.447 0.860 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC(OCc3ccccc3)C2)C1 ZINC000091320547 217992873 /nfs/dbraw/zinc/99/28/73/217992873.db2.gz RTEGEPIZYAAPEF-OAHLLOKOSA-N 1 1 331.416 0.611 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2cccc(O)c2)C[C@@H]1CO ZINC000091427013 218003857 /nfs/dbraw/zinc/00/38/57/218003857.db2.gz ANZNPWTWRGTRAQ-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)Cc2cccc(O)c2)C[C@@H]1CO ZINC000091427013 218003861 /nfs/dbraw/zinc/00/38/61/218003861.db2.gz ANZNPWTWRGTRAQ-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1CO ZINC000091440077 218005623 /nfs/dbraw/zinc/00/56/23/218005623.db2.gz RKJXPCFHKBCARZ-ZIAGYGMSSA-N 1 1 342.386 0.498 50 0 ECAAMO Nc1ncc(C[N@H+]2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)cn1 ZINC000091536264 218018737 /nfs/dbraw/zinc/01/87/37/218018737.db2.gz JSJTYWMQUQIRPB-CVEARBPZSA-N 1 1 345.447 0.812 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)sc1Cl ZINC000091587051 218026518 /nfs/dbraw/zinc/02/65/18/218026518.db2.gz LDMSEUZAAYEQLU-SNVBAGLBSA-N 1 1 344.868 0.961 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2cccc(O)c2)C[C@@H]1CO ZINC000091616546 218031493 /nfs/dbraw/zinc/03/14/93/218031493.db2.gz NLUAYCNQPKAFGX-HZPDHXFCSA-N 1 1 336.432 0.580 50 0 ECAAMO CCC[C@H]1C[N@H+](Cc2cc(C3CC3)n[nH]2)C[C@@H]1NC(=O)CNC(N)=O ZINC000091694947 218048890 /nfs/dbraw/zinc/04/88/90/218048890.db2.gz FXFABZTXBWNCLP-WFASDCNBSA-N 1 1 348.451 0.672 50 0 ECAAMO CCC[C@H]1C[N@@H+](Cc2cc(C3CC3)n[nH]2)C[C@@H]1NC(=O)CNC(N)=O ZINC000091694947 218048892 /nfs/dbraw/zinc/04/88/92/218048892.db2.gz FXFABZTXBWNCLP-WFASDCNBSA-N 1 1 348.451 0.672 50 0 ECAAMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cs1 ZINC000091695248 218049773 /nfs/dbraw/zinc/04/97/73/218049773.db2.gz MJGFSFJSZHOEIG-HNNXBMFYSA-N 1 1 337.449 0.611 50 0 ECAAMO Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)ccc1=O ZINC000091646113 218039840 /nfs/dbraw/zinc/03/98/40/218039840.db2.gz LTVFZMOIKRSREG-DZGCQCFKSA-N 1 1 346.431 0.496 50 0 ECAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(C)n1 ZINC000091782302 218064971 /nfs/dbraw/zinc/06/49/71/218064971.db2.gz LYNLCHCZBVUWCZ-KRWDZBQOSA-N 1 1 331.420 0.520 50 0 ECAAMO C/C=C(\C)C[N@H+]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C[C@H]1C(=O)NCC ZINC000092028962 218106559 /nfs/dbraw/zinc/10/65/59/218106559.db2.gz WVMASSNYUJUPAD-YCIGMIBNSA-N 1 1 347.419 0.045 50 0 ECAAMO C/C=C(\C)C[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C[C@H]1C(=O)NCC ZINC000092028962 218106561 /nfs/dbraw/zinc/10/65/61/218106561.db2.gz WVMASSNYUJUPAD-YCIGMIBNSA-N 1 1 347.419 0.045 50 0 ECAAMO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cn1 ZINC000092107963 218122454 /nfs/dbraw/zinc/12/24/54/218122454.db2.gz GSVBMSZRMMXXSR-IAGOWNOFSA-N 1 1 334.464 0.520 50 0 ECAAMO C[N@H+]1CCC[C@H]1CCNC(=O)CN1CCN(c2ncccn2)CC1 ZINC000095360009 218292644 /nfs/dbraw/zinc/29/26/44/218292644.db2.gz CYMZZYCSDNKGNW-HNNXBMFYSA-N 1 1 332.452 0.199 50 0 ECAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC000095372766 218305077 /nfs/dbraw/zinc/30/50/77/218305077.db2.gz HELVIZGUAQZVSX-UONOGXRCSA-N 1 1 344.423 0.218 50 0 ECAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2 ZINC000095372766 218305078 /nfs/dbraw/zinc/30/50/78/218305078.db2.gz HELVIZGUAQZVSX-UONOGXRCSA-N 1 1 344.423 0.218 50 0 ECAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000095376676 218308953 /nfs/dbraw/zinc/30/89/53/218308953.db2.gz BIDGRIXWRKVROZ-LBPRGKRZSA-N 1 1 338.437 0.507 50 0 ECAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)n1 ZINC000095389135 218320519 /nfs/dbraw/zinc/32/05/19/218320519.db2.gz CTGWISLZQUBJFM-INIZCTEOSA-N 1 1 342.403 0.243 50 0 ECAAMO NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000008769296 211002233 /nfs/dbraw/zinc/00/22/33/211002233.db2.gz LSUXLXFMZABTIK-UHFFFAOYSA-N 1 1 334.351 0.197 50 0 ECAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)NCc1cccc(F)c1 ZINC000095411098 218348337 /nfs/dbraw/zinc/34/83/37/218348337.db2.gz VKDHLEBJNWZIRU-MRXNPFEDSA-N 1 1 338.427 0.575 50 0 ECAAMO Cc1csc(N2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2C)n1 ZINC000241277645 258000884 /nfs/dbraw/zinc/00/08/84/258000884.db2.gz LHWZWCQAZFCLCE-GFCCVEGCSA-N 1 1 349.460 0.560 50 0 ECAAMO Cc1csc(N2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2C)n1 ZINC000241277645 258000886 /nfs/dbraw/zinc/00/08/86/258000886.db2.gz LHWZWCQAZFCLCE-GFCCVEGCSA-N 1 1 349.460 0.560 50 0 ECAAMO CNc1nc(NCCc2c[nH]c(=O)n(C)c2=O)cc([C@H]2CCOC2)[nH+]1 ZINC000299775375 258085873 /nfs/dbraw/zinc/08/58/73/258085873.db2.gz BTZIVOJLBINGKQ-NSHDSACASA-N 1 1 346.391 0.476 50 0 ECAAMO Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2 ZINC000299777202 258087061 /nfs/dbraw/zinc/08/70/61/258087061.db2.gz KAFXVEPVQHQQPI-CQSZACIVSA-N 1 1 347.463 0.621 50 0 ECAAMO COCCn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000299798818 258102568 /nfs/dbraw/zinc/10/25/68/258102568.db2.gz STLPPHSKTCIIGB-MRXNPFEDSA-N 1 1 343.431 0.640 50 0 ECAAMO COCCn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000299798818 258102570 /nfs/dbraw/zinc/10/25/70/258102570.db2.gz STLPPHSKTCIIGB-MRXNPFEDSA-N 1 1 343.431 0.640 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C[C@@H](C)O ZINC000105826535 287207113 /nfs/dbraw/zinc/20/71/13/287207113.db2.gz LVOCNAWHSVOKAN-MBNYWOFBSA-N 1 1 326.441 0.140 50 0 ECAAMO COC(C)(C)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171605443 227170530 /nfs/dbraw/zinc/17/05/30/227170530.db2.gz NCCDLPNNXYXXHV-HNNXBMFYSA-N 1 1 327.469 0.665 50 0 ECAAMO CNC(=O)C[NH+]1CCC(Nc2cncc(-n3nc(C)cc3C)n2)CC1 ZINC000078979691 273946839 /nfs/dbraw/zinc/94/68/39/273946839.db2.gz SBESPTZZGOTGFH-UHFFFAOYSA-N 1 1 343.435 0.901 50 0 ECAAMO OCC[NH+]1CCN(c2nc3sc4c(c3c3ncnn32)CCC4)CC1 ZINC000020478572 275047242 /nfs/dbraw/zinc/04/72/42/275047242.db2.gz XYULAARGAUYNSR-UHFFFAOYSA-N 1 1 344.444 0.942 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000245852720 277043624 /nfs/dbraw/zinc/04/36/24/277043624.db2.gz MYRRENYJITZVKH-CVEARBPZSA-N 1 1 333.436 0.684 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000245852720 277043625 /nfs/dbraw/zinc/04/36/25/277043625.db2.gz MYRRENYJITZVKH-CVEARBPZSA-N 1 1 333.436 0.684 50 0 ECAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000077453778 279171924 /nfs/dbraw/zinc/17/19/24/279171924.db2.gz DWLLNLGRVKZEQD-CQSZACIVSA-N 1 1 345.403 0.513 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000095402708 279225978 /nfs/dbraw/zinc/22/59/78/279225978.db2.gz XZXYTNIBZCKFNY-FRRDWIJNSA-N 1 1 349.435 0.372 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000095402708 279225980 /nfs/dbraw/zinc/22/59/80/279225980.db2.gz XZXYTNIBZCKFNY-FRRDWIJNSA-N 1 1 349.435 0.372 50 0 ECAAMO Cc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000069817899 435967603 /nfs/dbraw/zinc/96/76/03/435967603.db2.gz RXIGLABPYBYQHJ-MRXNPFEDSA-N 1 1 330.432 0.873 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000069810944 435968151 /nfs/dbraw/zinc/96/81/51/435968151.db2.gz ZVJUYOZNAMPFQI-AWEZNQCLSA-N 1 1 337.445 0.809 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCS(=O)(=O)N(C)C)C2)n1 ZINC000070004101 435984236 /nfs/dbraw/zinc/98/42/36/435984236.db2.gz BPPLFKZICXXZDI-OAHLLOKOSA-N 1 1 343.497 0.888 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCCNC3=O)C2=O)cc1 ZINC000000084425 435948518 /nfs/dbraw/zinc/94/85/18/435948518.db2.gz XOOGBNBOJXIBTL-CABCVRRESA-N 1 1 345.399 0.976 50 0 ECAAMO CC(C)Oc1cccc(CNC(=O)CN2CC[NH+](CCO)CC2)c1 ZINC000069631833 435953243 /nfs/dbraw/zinc/95/32/43/435953243.db2.gz XXGAGRZUHSJOGQ-UHFFFAOYSA-N 1 1 335.448 0.700 50 0 ECAAMO CCc1noc([C@H](C)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069652152 435953457 /nfs/dbraw/zinc/95/34/57/435953457.db2.gz HDBUSEFPQQSVOG-UONOGXRCSA-N 1 1 334.424 0.568 50 0 ECAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](CNC(C)=O)C2)cc1 ZINC000071315158 436005838 /nfs/dbraw/zinc/00/58/38/436005838.db2.gz RJLGNNJKKGXZQM-CQSZACIVSA-N 1 1 325.434 0.553 50 0 ECAAMO CC(C)[C@@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1CC1CC1 ZINC000071767569 436009380 /nfs/dbraw/zinc/00/93/80/436009380.db2.gz NGLUWGFOJNPNMD-AWEZNQCLSA-N 1 1 334.420 0.532 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1 ZINC000071864723 436017836 /nfs/dbraw/zinc/01/78/36/436017836.db2.gz RYGNBBUJZLUUJF-UHFFFAOYSA-N 1 1 343.431 0.950 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1 ZINC000071864723 436017843 /nfs/dbraw/zinc/01/78/43/436017843.db2.gz RYGNBBUJZLUUJF-UHFFFAOYSA-N 1 1 343.431 0.950 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839842 436018684 /nfs/dbraw/zinc/01/86/84/436018684.db2.gz QKMTYGKCSDUVBJ-GFCCVEGCSA-N 1 1 348.432 0.187 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000008072031 436020700 /nfs/dbraw/zinc/02/07/00/436020700.db2.gz OMQUUYMYYRKFGO-GFCCVEGCSA-N 1 1 344.415 0.715 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000008072031 436020706 /nfs/dbraw/zinc/02/07/06/436020706.db2.gz OMQUUYMYYRKFGO-GFCCVEGCSA-N 1 1 344.415 0.715 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000071881876 436023863 /nfs/dbraw/zinc/02/38/63/436023863.db2.gz NQAGVJXBKUOVJP-HNNXBMFYSA-N 1 1 336.436 0.303 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000071882012 436024772 /nfs/dbraw/zinc/02/47/72/436024772.db2.gz GXSQJQHRAUFCAI-ZDUSSCGKSA-N 1 1 332.404 0.718 50 0 ECAAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000071905620 436026953 /nfs/dbraw/zinc/02/69/53/436026953.db2.gz CVUCWCLAUKHHKT-KGLIPLIRSA-N 1 1 347.481 0.028 50 0 ECAAMO c1ccc(-n2nnnc2NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000012738261 436053516 /nfs/dbraw/zinc/05/35/16/436053516.db2.gz ZEQVSLQUNHXVDG-ZBFHGGJFSA-N 1 1 344.419 0.812 50 0 ECAAMO COC(=O)CCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000012711689 436053094 /nfs/dbraw/zinc/05/30/94/436053094.db2.gz ISYUDORGTVOKNP-ZDUSSCGKSA-N 1 1 327.425 0.292 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1 ZINC000072300742 436041975 /nfs/dbraw/zinc/04/19/75/436041975.db2.gz GDHZVGKGNNIXHM-KSSFIOAISA-N 1 1 344.415 0.856 50 0 ECAAMO O=C(C[N@H+](CCO)CCN1CCOCC1)NCCC1=CCCCC1 ZINC000072313458 436043023 /nfs/dbraw/zinc/04/30/23/436043023.db2.gz GDUPYGXHAHVIBX-UHFFFAOYSA-N 1 1 339.480 0.620 50 0 ECAAMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NCCC1=CCCCC1 ZINC000072313458 436043029 /nfs/dbraw/zinc/04/30/29/436043029.db2.gz GDUPYGXHAHVIBX-UHFFFAOYSA-N 1 1 339.480 0.620 50 0 ECAAMO C[C@@]1([C@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)NC(=O)NC1=O ZINC000072300706 436043419 /nfs/dbraw/zinc/04/34/19/436043419.db2.gz DHQNGBNXJQABCL-KSSFIOAISA-N 1 1 344.415 0.613 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000013694349 436066505 /nfs/dbraw/zinc/06/65/05/436066505.db2.gz WXOKUQFAMOUVCG-UHFFFAOYSA-N 1 1 343.387 0.910 50 0 ECAAMO NC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014135021 436067862 /nfs/dbraw/zinc/06/78/62/436067862.db2.gz ZXKMWVOXTOAVQB-UHFFFAOYSA-N 1 1 345.325 0.807 50 0 ECAAMO NC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014135021 436067866 /nfs/dbraw/zinc/06/78/66/436067866.db2.gz ZXKMWVOXTOAVQB-UHFFFAOYSA-N 1 1 345.325 0.807 50 0 ECAAMO O=C(C[NH+]1CCCCCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000016338697 436089279 /nfs/dbraw/zinc/08/92/79/436089279.db2.gz IJNVADRDIPQRLD-LBPRGKRZSA-N 1 1 331.438 0.265 50 0 ECAAMO CC[NH+]1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000020739428 436111721 /nfs/dbraw/zinc/11/17/21/436111721.db2.gz QSWYANZPVDJQBA-UHFFFAOYSA-N 1 1 343.435 0.505 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cccnc1 ZINC000032333098 436237652 /nfs/dbraw/zinc/23/76/52/436237652.db2.gz QNKLSXYJMYVVGI-UHFFFAOYSA-N 1 1 326.404 0.814 50 0 ECAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000032751302 436243683 /nfs/dbraw/zinc/24/36/83/436243683.db2.gz XRZXBKMZBBGRMW-GFCCVEGCSA-N 1 1 344.415 0.948 50 0 ECAAMO CCNC(=O)COc1ccc(NC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000076060945 436189727 /nfs/dbraw/zinc/18/97/27/436189727.db2.gz YGRCBLWTQQSPIZ-HNNXBMFYSA-N 1 1 335.404 0.861 50 0 ECAAMO CCNC(=O)COc1ccc(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000076060945 436189731 /nfs/dbraw/zinc/18/97/31/436189731.db2.gz YGRCBLWTQQSPIZ-HNNXBMFYSA-N 1 1 335.404 0.861 50 0 ECAAMO CCOCC[NH+]1CCN(CCCn2cnc3c2ncnc3N)CC1 ZINC000078766609 436278472 /nfs/dbraw/zinc/27/84/72/436278472.db2.gz DYCIHDKHUSMSKG-UHFFFAOYSA-N 1 1 333.440 0.453 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc2n1 ZINC000078789208 436279067 /nfs/dbraw/zinc/27/90/67/436279067.db2.gz IDFYQIBZRFABTK-UONOGXRCSA-N 1 1 344.419 0.412 50 0 ECAAMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000082115044 436361108 /nfs/dbraw/zinc/36/11/08/436361108.db2.gz QSNJQVWCIIRCOA-GFCCVEGCSA-N 1 1 345.490 0.720 50 0 ECAAMO O=C(CC[C@H]1NC(=O)NC1=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045918405 436380989 /nfs/dbraw/zinc/38/09/89/436380989.db2.gz LEPRSGPXWFNYRX-CQSZACIVSA-N 1 1 330.388 0.149 50 0 ECAAMO CC[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735841 436384100 /nfs/dbraw/zinc/38/41/00/436384100.db2.gz FSNNFYWXLOCPTL-HZPDHXFCSA-N 1 1 333.432 0.808 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000084735693 436384212 /nfs/dbraw/zinc/38/42/12/436384212.db2.gz DCSCEDYFEVHONG-IIAWOOMASA-N 1 1 335.448 0.567 50 0 ECAAMO CCN(C[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000084774592 436386063 /nfs/dbraw/zinc/38/60/63/436386063.db2.gz MTJSXOKIBDBAON-JKSUJKDBSA-N 1 1 346.435 0.261 50 0 ECAAMO CCN(C[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000084774592 436386067 /nfs/dbraw/zinc/38/60/67/436386067.db2.gz MTJSXOKIBDBAON-JKSUJKDBSA-N 1 1 346.435 0.261 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000046880255 436403926 /nfs/dbraw/zinc/40/39/26/436403926.db2.gz DTKVBRRPIODVKM-CYBMUJFWSA-N 1 1 331.482 0.506 50 0 ECAAMO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@H+](C)C[C@@H]2C)c1=O ZINC000089300056 436407428 /nfs/dbraw/zinc/40/74/28/436407428.db2.gz ZTFAEPBKZQAPQV-ZDUSSCGKSA-N 1 1 344.415 0.346 50 0 ECAAMO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)c1=O ZINC000089300056 436407430 /nfs/dbraw/zinc/40/74/30/436407430.db2.gz ZTFAEPBKZQAPQV-ZDUSSCGKSA-N 1 1 344.415 0.346 50 0 ECAAMO CN(C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044938022 436354583 /nfs/dbraw/zinc/35/45/83/436354583.db2.gz WNWAKQFVVJJWQS-GXTWGEPZSA-N 1 1 330.450 0.133 50 0 ECAAMO CN(C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044938022 436354584 /nfs/dbraw/zinc/35/45/84/436354584.db2.gz WNWAKQFVVJJWQS-GXTWGEPZSA-N 1 1 330.450 0.133 50 0 ECAAMO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCN(C)CC1)n1cncn1 ZINC000044940880 436356133 /nfs/dbraw/zinc/35/61/33/436356133.db2.gz DIJNEPMGWLSPLS-OAHLLOKOSA-N 1 1 342.447 0.903 50 0 ECAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N1CCSCC1 ZINC000048275488 436446597 /nfs/dbraw/zinc/44/65/97/436446597.db2.gz AYPCVPGMZYRBPI-KGLIPLIRSA-N 1 1 329.466 0.482 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000089938302 436421695 /nfs/dbraw/zinc/42/16/95/436421695.db2.gz IDUVCSTXPAMNIF-LLVKDONJSA-N 1 1 339.827 0.743 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000089938302 436421704 /nfs/dbraw/zinc/42/17/04/436421704.db2.gz IDUVCSTXPAMNIF-LLVKDONJSA-N 1 1 339.827 0.743 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000089939043 436421890 /nfs/dbraw/zinc/42/18/90/436421890.db2.gz YKCKRELZOHVMMQ-AWEZNQCLSA-N 1 1 335.448 0.998 50 0 ECAAMO Cc1cc(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000095431039 436494131 /nfs/dbraw/zinc/49/41/31/436494131.db2.gz QLDQOQZNJQKLKL-QGZVFWFLSA-N 1 1 328.416 0.796 50 0 ECAAMO Cc1cc(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH]n1 ZINC000095431039 436494134 /nfs/dbraw/zinc/49/41/34/436494134.db2.gz QLDQOQZNJQKLKL-QGZVFWFLSA-N 1 1 328.416 0.796 50 0 ECAAMO Cc1cc(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH]n1 ZINC000095431039 436494139 /nfs/dbraw/zinc/49/41/39/436494139.db2.gz QLDQOQZNJQKLKL-QGZVFWFLSA-N 1 1 328.416 0.796 50 0 ECAAMO COCCc1noc(C[N@@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)n1 ZINC000095523267 436498974 /nfs/dbraw/zinc/49/89/74/436498974.db2.gz HDWQZLKDYCGOSZ-LBPRGKRZSA-N 1 1 348.407 0.320 50 0 ECAAMO COCCc1noc(C[N@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)n1 ZINC000095523267 436498978 /nfs/dbraw/zinc/49/89/78/436498978.db2.gz HDWQZLKDYCGOSZ-LBPRGKRZSA-N 1 1 348.407 0.320 50 0 ECAAMO COC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000095528652 436500071 /nfs/dbraw/zinc/50/00/71/436500071.db2.gz WXGFVSDCSAZTLR-AWEZNQCLSA-N 1 1 331.372 0.353 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)[C@@H](C)C1 ZINC000095984605 436502275 /nfs/dbraw/zinc/50/22/75/436502275.db2.gz AOLLGYKZLJMQSK-QWHCGFSZSA-N 1 1 339.436 0.387 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)[C@@H](C)C1 ZINC000095984605 436502277 /nfs/dbraw/zinc/50/22/77/436502277.db2.gz AOLLGYKZLJMQSK-QWHCGFSZSA-N 1 1 339.436 0.387 50 0 ECAAMO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)NCCc1ccccc1 ZINC000052214644 436504513 /nfs/dbraw/zinc/50/45/13/436504513.db2.gz NXDJCLPQMGZDLI-UHFFFAOYSA-N 1 1 330.432 0.835 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCn3ccnc3C2)C1 ZINC000097201433 436540852 /nfs/dbraw/zinc/54/08/52/436540852.db2.gz SUBFINJWOXDHLA-OAHLLOKOSA-N 1 1 335.452 0.172 50 0 ECAAMO COCC(=O)N[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C(=O)N(C)C ZINC000097940975 436543759 /nfs/dbraw/zinc/54/37/59/436543759.db2.gz NSRJWXOSJOLUQX-LSDHHAIUSA-N 1 1 334.420 0.123 50 0 ECAAMO CCS(=O)(=O)NCC[NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000058393647 436625283 /nfs/dbraw/zinc/62/52/83/436625283.db2.gz STYBFDVGQRKGCO-OAHLLOKOSA-N 1 1 339.461 0.879 50 0 ECAAMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106056183 436590704 /nfs/dbraw/zinc/59/07/04/436590704.db2.gz RGGDCFPXNUBCGX-JHJVBQTASA-N 1 1 325.409 0.139 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000106783856 436602284 /nfs/dbraw/zinc/60/22/84/436602284.db2.gz VHOYKKPYZDZBQZ-CABCVRRESA-N 1 1 333.436 0.523 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000106783856 436602287 /nfs/dbraw/zinc/60/22/87/436602287.db2.gz VHOYKKPYZDZBQZ-CABCVRRESA-N 1 1 333.436 0.523 50 0 ECAAMO CC[C@H]1CN(CC(=O)N(C)c2nccs2)CC[N@H+]1C[C@H](C)O ZINC000106841102 436604207 /nfs/dbraw/zinc/60/42/07/436604207.db2.gz DZZJLXKYHHYUMR-STQMWFEESA-N 1 1 326.466 0.883 50 0 ECAAMO CC(=O)N1CC[NH+]([C@H]2CN(CC(=O)Nc3cc(C)no3)C[C@H]2C)CC1 ZINC000107058281 436608443 /nfs/dbraw/zinc/60/84/43/436608443.db2.gz FJZCTKRCYOCPMF-DOMZBBRYSA-N 1 1 349.435 0.406 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)[C@@H](C)C1 ZINC000108162220 436615774 /nfs/dbraw/zinc/61/57/74/436615774.db2.gz AOLLGYKZLJMQSK-STQMWFEESA-N 1 1 339.436 0.387 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)[C@@H](C)C1 ZINC000108162220 436615777 /nfs/dbraw/zinc/61/57/77/436615777.db2.gz AOLLGYKZLJMQSK-STQMWFEESA-N 1 1 339.436 0.387 50 0 ECAAMO O=C(CCN1C(=O)CCC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000061469240 436636911 /nfs/dbraw/zinc/63/69/11/436636911.db2.gz JKFCJLTUXMJOMX-UHFFFAOYSA-N 1 1 329.400 0.870 50 0 ECAAMO C[NH+]1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1 ZINC000065154770 436653041 /nfs/dbraw/zinc/65/30/41/436653041.db2.gz LLVRPUYAYNNBPV-UHFFFAOYSA-N 1 1 344.394 0.880 50 0 ECAAMO O=C(NCCC1=CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1)N1CCCC1 ZINC000065383474 436657157 /nfs/dbraw/zinc/65/71/57/436657157.db2.gz CKQWUGXNQIYVQE-UHFFFAOYSA-N 1 1 347.419 0.803 50 0 ECAAMO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC000222270910 436702179 /nfs/dbraw/zinc/70/21/79/436702179.db2.gz VCCJTPDLBIAGIS-QLFBSQMISA-N 1 1 333.498 0.451 50 0 ECAAMO CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)nn1 ZINC000225443906 436709782 /nfs/dbraw/zinc/70/97/82/436709782.db2.gz MLGJBMJMLQWTNP-KBPBESRZSA-N 1 1 333.436 0.864 50 0 ECAAMO Cc1nn(CC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1CN1CCN(C)CC1 ZINC000065435887 436661960 /nfs/dbraw/zinc/66/19/60/436661960.db2.gz WFQRNMHEEDADHA-INIZCTEOSA-N 1 1 348.495 0.136 50 0 ECAAMO Cc1nn(CC[N@H+]2CCC[C@H](C(N)=O)C2)cc1CN1CCN(C)CC1 ZINC000065435887 436661963 /nfs/dbraw/zinc/66/19/63/436661963.db2.gz WFQRNMHEEDADHA-INIZCTEOSA-N 1 1 348.495 0.136 50 0 ECAAMO CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237198586 436727871 /nfs/dbraw/zinc/72/78/71/436727871.db2.gz BXCQOUOYIOQDMR-HOTGVXAUSA-N 1 1 330.432 0.451 50 0 ECAAMO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000153232160 436752315 /nfs/dbraw/zinc/75/23/15/436752315.db2.gz WAQLMHXFIQTVLD-HZPDHXFCSA-N 1 1 331.464 0.803 50 0 ECAAMO Cn1cc(C[C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC000245343904 436760755 /nfs/dbraw/zinc/76/07/55/436760755.db2.gz WJXKQMUZQWPTOO-BHYGNILZSA-N 1 1 347.463 0.857 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229714209 436717029 /nfs/dbraw/zinc/71/70/29/436717029.db2.gz ZBBYTGXPFOVBOO-HZSPNIEDSA-N 1 1 329.466 0.544 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)n1cncn1 ZINC000069443486 436774158 /nfs/dbraw/zinc/77/41/58/436774158.db2.gz QYVBXLAGSRUAED-INIZCTEOSA-N 1 1 345.451 0.943 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)n1cncn1 ZINC000069443486 436774163 /nfs/dbraw/zinc/77/41/63/436774163.db2.gz QYVBXLAGSRUAED-INIZCTEOSA-N 1 1 345.451 0.943 50 0 ECAAMO NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000246833888 436786459 /nfs/dbraw/zinc/78/64/59/436786459.db2.gz RRZNNVPCPKKDKU-ZBFHGGJFSA-N 1 1 349.406 0.750 50 0 ECAAMO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000252672529 436839070 /nfs/dbraw/zinc/83/90/70/436839070.db2.gz QENCPWLJPNJTEK-ZFWWWQNUSA-N 1 1 339.436 0.977 50 0 ECAAMO CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000252672529 436839075 /nfs/dbraw/zinc/83/90/75/436839075.db2.gz QENCPWLJPNJTEK-ZFWWWQNUSA-N 1 1 339.436 0.977 50 0 ECAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478035 436832573 /nfs/dbraw/zinc/83/25/73/436832573.db2.gz AAMQMPBGTNGADJ-DOTOQJQBSA-N 1 1 325.453 0.420 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cnn2cc(CCO)cnc12 ZINC000252510252 436835979 /nfs/dbraw/zinc/83/59/79/436835979.db2.gz ZFLLYNVMCUYHOZ-GJZGRUSLSA-N 1 1 347.419 0.102 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000042394113 303801761 /nfs/dbraw/zinc/80/17/61/303801761.db2.gz ZEUFBZGXENEXEF-CZUORRHYSA-N 1 1 334.420 0.754 50 0 ECAAMO COC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000599484721 439487631 /nfs/dbraw/zinc/48/76/31/439487631.db2.gz PQOPKFOXQIJFFM-OAHLLOKOSA-N 1 1 329.397 0.394 50 0 ECAAMO COC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000599484721 439487636 /nfs/dbraw/zinc/48/76/36/439487636.db2.gz PQOPKFOXQIJFFM-OAHLLOKOSA-N 1 1 329.397 0.394 50 0 ECAAMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C[C@@H]1C ZINC000585130001 439631856 /nfs/dbraw/zinc/63/18/56/439631856.db2.gz DTOCJDLCHGKMKX-QLFBSQMISA-N 1 1 345.509 0.989 50 0 ECAAMO CCC(C)(C)[C@@H](O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000585121711 439632744 /nfs/dbraw/zinc/63/27/44/439632744.db2.gz XCAWZABGZHBWJJ-KGLIPLIRSA-N 1 1 325.453 0.724 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)N(C)CC[N@H+]2CCCC[C@@H]2C)n1 ZINC000584889440 439624167 /nfs/dbraw/zinc/62/41/67/439624167.db2.gz BLCLTNPHPDHKMD-NSHDSACASA-N 1 1 338.412 0.445 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000215031665 545919467 /nfs/dbraw/zinc/91/94/67/545919467.db2.gz TVVWLALYPFSFOT-AWEZNQCLSA-N 1 1 339.461 0.867 50 0 ECAAMO NS(=O)(=O)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670458872 548016009 /nfs/dbraw/zinc/01/60/09/548016009.db2.gz KNADXQYAUVTVFV-LBPRGKRZSA-N 1 1 345.490 0.897 50 0 ECAAMO CC(C)=CCNC(=O)[C@]12C[N@H+](Cc3nnnn3C)C[C@H]1COCC2 ZINC000685940387 549727064 /nfs/dbraw/zinc/72/70/64/549727064.db2.gz ICCOFXRFISFJME-XJKSGUPXSA-N 1 1 334.424 0.131 50 0 ECAAMO CC(C)=CCNC(=O)[C@]12C[N@@H+](Cc3nnnn3C)C[C@H]1COCC2 ZINC000685940387 549727067 /nfs/dbraw/zinc/72/70/67/549727067.db2.gz ICCOFXRFISFJME-XJKSGUPXSA-N 1 1 334.424 0.131 50 0 ECAAMO O=C(CC[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1)Nc1cccc(F)c1 ZINC000585081574 586779193 /nfs/dbraw/zinc/77/91/93/586779193.db2.gz QHDHHIAMYBIIIK-INIZCTEOSA-N 1 1 333.367 0.883 50 0 ECAAMO Cc1cnn(CC2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000952967389 612138667 /nfs/dbraw/zinc/13/86/67/612138667.db2.gz BCNQXNCHUGOAHL-INIZCTEOSA-N 1 1 347.463 0.627 50 0 ECAAMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000952993760 612140649 /nfs/dbraw/zinc/14/06/49/612140649.db2.gz LVVANSAKYASASA-YESZJQIVSA-N 1 1 346.427 0.891 50 0 ECAAMO Cc1ccccc1[C@@H](CNC(=O)CN1CCC(C(N)=O)CC1)[NH+](C)C ZINC000091547891 612875817 /nfs/dbraw/zinc/87/58/17/612875817.db2.gz NYSZJQUOBNCATR-QGZVFWFLSA-N 1 1 346.475 0.911 50 0 ECAAMO Cc1cccc(OC2CN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C2)c1 ZINC000091872174 612942291 /nfs/dbraw/zinc/94/22/91/612942291.db2.gz XOVQBUXGCBIRCR-CQSZACIVSA-N 1 1 331.416 0.782 50 0 ECAAMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000052961395 214157961 /nfs/dbraw/zinc/15/79/61/214157961.db2.gz BICLYRNMTIWSHB-JSGCOSHPSA-N 1 1 349.431 0.858 50 0 ECAAMO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000054583666 214244922 /nfs/dbraw/zinc/24/49/22/214244922.db2.gz QHOHREGWOLDPQW-MRXNPFEDSA-N 1 1 331.416 0.784 50 0 ECAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3cnnn3)cc2O)C1 ZINC000067654479 215175209 /nfs/dbraw/zinc/17/52/09/215175209.db2.gz XPTCOELMXDXDRK-GFCCVEGCSA-N 1 1 330.392 0.830 50 0 ECAAMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067696481 215189908 /nfs/dbraw/zinc/18/99/08/215189908.db2.gz PZQKYRFBIILUHN-LBPRGKRZSA-N 1 1 335.429 0.899 50 0 ECAAMO CN1CCC2(CC1)CN(C(=O)CCCn1cncn1)CCC[N@H+]2C ZINC000067803780 215216388 /nfs/dbraw/zinc/21/63/88/215216388.db2.gz YEYGQFROJRFDPX-UHFFFAOYSA-N 1 1 334.468 0.687 50 0 ECAAMO CN1CCCN(C(=O)CCCn2cncn2)CC12CC[NH+](C)CC2 ZINC000067803780 215216389 /nfs/dbraw/zinc/21/63/89/215216389.db2.gz YEYGQFROJRFDPX-UHFFFAOYSA-N 1 1 334.468 0.687 50 0 ECAAMO O=C(c1cn2cc(Cl)ccc2n1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067840328 215225832 /nfs/dbraw/zinc/22/58/32/215225832.db2.gz CROYTYBODHEAJY-UHFFFAOYSA-N 1 1 347.806 0.682 50 0 ECAAMO O=C1NCCN2CC[N@@H+](C3CCN(Cc4cccnc4)CC3)C[C@@H]12 ZINC000067846826 215228329 /nfs/dbraw/zinc/22/83/29/215228329.db2.gz YLUUSJOKINSGTJ-KRWDZBQOSA-N 1 1 329.448 0.162 50 0 ECAAMO O=C1NCCN2CC[N@H+](C3CCN(Cc4cccnc4)CC3)C[C@@H]12 ZINC000067846826 215228332 /nfs/dbraw/zinc/22/83/32/215228332.db2.gz YLUUSJOKINSGTJ-KRWDZBQOSA-N 1 1 329.448 0.162 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc3[nH]cnc3c1)CC2 ZINC000067967209 215262298 /nfs/dbraw/zinc/26/22/98/215262298.db2.gz ZTHITSNGGPUPRS-UHFFFAOYSA-N 1 1 341.415 0.989 50 0 ECAAMO C[C@@H](Sc1ccccn1)C(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067967072 215262353 /nfs/dbraw/zinc/26/23/53/215262353.db2.gz CLZVWJAMFRORFQ-GFCCVEGCSA-N 1 1 334.445 0.643 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000040534691 213339478 /nfs/dbraw/zinc/33/94/78/213339478.db2.gz TWMZJLYYOZNMKT-CYBMUJFWSA-N 1 1 346.435 0.368 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000040539661 213341915 /nfs/dbraw/zinc/34/19/15/213341915.db2.gz JYCUZYSHHOBKAA-UHFFFAOYSA-N 1 1 328.438 0.153 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040512824 213329488 /nfs/dbraw/zinc/32/94/88/213329488.db2.gz WZZFIWSPICNRKS-AWEZNQCLSA-N 1 1 325.434 0.316 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000040490388 213319245 /nfs/dbraw/zinc/31/92/45/213319245.db2.gz KUVNNKHGTUQYCV-UHFFFAOYSA-N 1 1 345.378 0.895 50 0 ECAAMO Cc1nnsc1C(=O)NCCNc1cc(-n2cc[nH+]c2C)ncn1 ZINC000038488273 213210079 /nfs/dbraw/zinc/21/00/79/213210079.db2.gz PKJNXWDDIUGSIM-UHFFFAOYSA-N 1 1 344.404 0.973 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000036359649 213089917 /nfs/dbraw/zinc/08/99/17/213089917.db2.gz JTPRZKXAWNFDCI-UHFFFAOYSA-N 1 1 343.431 0.860 50 0 ECAAMO O=C([C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1)N1CCOCC1 ZINC000036249989 213078194 /nfs/dbraw/zinc/07/81/94/213078194.db2.gz BYJPMYPRORNUCT-KRWDZBQOSA-N 1 1 349.475 0.958 50 0 ECAAMO Cc1ccc([C@@H](C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)[NH+](C)C)cc1 ZINC000072129531 216020503 /nfs/dbraw/zinc/02/05/03/216020503.db2.gz MBEPUHWTRBHEJJ-HNNXBMFYSA-N 1 1 341.415 0.848 50 0 ECAAMO CC[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072135461 216025191 /nfs/dbraw/zinc/02/51/91/216025191.db2.gz FZYNHEHIZQSZCA-OFTGVCEQSA-N 1 1 325.434 0.924 50 0 ECAAMO CC[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072135461 216025194 /nfs/dbraw/zinc/02/51/94/216025194.db2.gz FZYNHEHIZQSZCA-OFTGVCEQSA-N 1 1 325.434 0.924 50 0 ECAAMO CC(C)SCC(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1cccnc1 ZINC000072145893 216032041 /nfs/dbraw/zinc/03/20/41/216032041.db2.gz BTJWRCFSYBQAQY-CQSZACIVSA-N 1 1 336.461 0.640 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000072234629 216074214 /nfs/dbraw/zinc/07/42/14/216074214.db2.gz MVQDOXRPWDJJFF-CYBMUJFWSA-N 1 1 345.403 0.170 50 0 ECAAMO COCCNC(=O)CN1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000072312040 216147985 /nfs/dbraw/zinc/14/79/85/216147985.db2.gz CPPBYTHOJQWSRI-UHFFFAOYSA-N 1 1 334.464 0.503 50 0 ECAAMO Cc1nn2c(nccc2[C@H]2C[NH2+]CCO2)c1CN1CCC(O)CC1 ZINC000072344480 216159453 /nfs/dbraw/zinc/15/94/53/216159453.db2.gz JNDNNRAIODVJPI-MRXNPFEDSA-N 1 1 331.420 0.655 50 0 ECAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](C(CO)CO)C1 ZINC000072475956 216252903 /nfs/dbraw/zinc/25/29/03/216252903.db2.gz MGXMDWJFSQPIRA-AWEZNQCLSA-N 1 1 337.468 0.334 50 0 ECAAMO CNCc1cn(C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC000023158882 212356987 /nfs/dbraw/zinc/35/69/87/212356987.db2.gz UXIYXVKRRWHLKT-MRXNPFEDSA-N 1 1 348.495 0.968 50 0 ECAAMO CN1N=C(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000023190741 212359910 /nfs/dbraw/zinc/35/99/10/212359910.db2.gz BQUZYRQENVUVBD-UHFFFAOYSA-N 1 1 344.415 0.743 50 0 ECAAMO Cc1[nH+]cn(CC(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)c1C ZINC000218805375 241346281 /nfs/dbraw/zinc/34/62/81/241346281.db2.gz STENKYLGYXDFGS-HDJSIYSDSA-N 1 1 345.451 0.752 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)O1 ZINC000229563972 242178493 /nfs/dbraw/zinc/17/84/93/242178493.db2.gz JRQHJWKLLJSLQZ-MJBXVCDLSA-N 1 1 331.482 0.947 50 0 ECAAMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000229786801 242198823 /nfs/dbraw/zinc/19/88/23/242198823.db2.gz PJECGKLAOLVKQP-SJLPKXTDSA-N 1 1 349.475 0.910 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 ZINC000244741888 243074283 /nfs/dbraw/zinc/07/42/83/243074283.db2.gz NYJYUUNMNFXADX-IIDMSEBBSA-N 1 1 332.448 0.647 50 0 ECAAMO Cc1c(NC(=O)CN2CC[NH+](C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000020293779 212116906 /nfs/dbraw/zinc/11/69/06/212116906.db2.gz QNMINEQGVPFNKH-UHFFFAOYSA-N 1 1 343.431 0.670 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 ZINC000019831324 212072979 /nfs/dbraw/zinc/07/29/79/212072979.db2.gz YZJQMJMKZLXDBD-AWEZNQCLSA-N 1 1 347.415 0.584 50 0 ECAAMO Cc1ccc(NC(=O)COCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019808336 212071082 /nfs/dbraw/zinc/07/10/82/212071082.db2.gz CVEIQEDTEZCILF-UHFFFAOYSA-N 1 1 349.431 0.789 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000078941638 217154338 /nfs/dbraw/zinc/15/43/38/217154338.db2.gz IAJYLNFDKGGJGL-DOMZBBRYSA-N 1 1 336.484 0.513 50 0 ECAAMO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@@H+](CCCn1cnnn1)C2 ZINC000091594208 218028244 /nfs/dbraw/zinc/02/82/44/218028244.db2.gz ZSQQGMGKCQMEHF-KRWDZBQOSA-N 1 1 348.451 0.557 50 0 ECAAMO Cn1cccc1-c1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC000091626239 218035824 /nfs/dbraw/zinc/03/58/24/218035824.db2.gz GDZBMEVYIQLOGT-GFCCVEGCSA-N 1 1 344.419 0.342 50 0 ECAAMO CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)c1C ZINC000091665293 218043983 /nfs/dbraw/zinc/04/39/83/218043983.db2.gz JEFRURBTNWHCBM-UONOGXRCSA-N 1 1 347.463 0.905 50 0 ECAAMO CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)c1C ZINC000091665293 218043985 /nfs/dbraw/zinc/04/39/85/218043985.db2.gz JEFRURBTNWHCBM-UONOGXRCSA-N 1 1 347.463 0.905 50 0 ECAAMO CCc1cc(N2C[C@H](CO)[C@H](C[NH+](C)C)C2)nc(N2CCOCC2)n1 ZINC000092019825 218104896 /nfs/dbraw/zinc/10/48/96/218104896.db2.gz OIPLZXUVQNMIPU-HUUCEWRRSA-N 1 1 349.479 0.482 50 0 ECAAMO CCC[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1NC(=O)C(C)(C)NC(C)=O ZINC000091943323 218092629 /nfs/dbraw/zinc/09/26/29/218092629.db2.gz LJPICMQZTJUKEQ-STQMWFEESA-N 1 1 348.451 0.695 50 0 ECAAMO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000092078797 218117045 /nfs/dbraw/zinc/11/70/45/218117045.db2.gz YSPXZBVOULIUBN-OAHLLOKOSA-N 1 1 330.432 0.643 50 0 ECAAMO CN(C)C(=O)CSc1nc(N(C)Cc2cnn(C)c2)cc(N)[nH+]1 ZINC000095367691 218300163 /nfs/dbraw/zinc/30/01/63/218300163.db2.gz VQUGAKXWVUZDCO-UHFFFAOYSA-N 1 1 335.437 0.609 50 0 ECAAMO CN(C)C(=O)CSc1nc(N)cc(N(C)Cc2cnn(C)c2)[nH+]1 ZINC000095367691 218300166 /nfs/dbraw/zinc/30/01/66/218300166.db2.gz VQUGAKXWVUZDCO-UHFFFAOYSA-N 1 1 335.437 0.609 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000095364110 218296575 /nfs/dbraw/zinc/29/65/75/218296575.db2.gz IYCRDRMPVXTMPS-LBPRGKRZSA-N 1 1 345.407 0.670 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000095374523 218308109 /nfs/dbraw/zinc/30/81/09/218308109.db2.gz CIDZJIDNSCNBHF-ZDUSSCGKSA-N 1 1 334.424 0.211 50 0 ECAAMO Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000095381153 218313951 /nfs/dbraw/zinc/31/39/51/218313951.db2.gz JFJREBBEEOSHNR-HNNXBMFYSA-N 1 1 341.415 0.663 50 0 ECAAMO Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000095381153 218313953 /nfs/dbraw/zinc/31/39/53/218313953.db2.gz JFJREBBEEOSHNR-HNNXBMFYSA-N 1 1 341.415 0.663 50 0 ECAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1C(N)=O ZINC000004747549 210268300 /nfs/dbraw/zinc/26/83/00/210268300.db2.gz ZXJFZLHFWDTUSL-SSDOTTSWSA-N 1 1 332.389 0.859 50 0 ECAAMO O=C(NCc1cc2n(n1)CCN(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCCC1 ZINC000299772512 258084683 /nfs/dbraw/zinc/08/46/83/258084683.db2.gz AIMKCMSHAIDZKA-PIIMJCKOSA-N 1 1 343.475 0.971 50 0 ECAAMO Cc1nc2cc(CC(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2[nH]1 ZINC000299795838 258100305 /nfs/dbraw/zinc/10/03/05/258100305.db2.gz LCRYBCLUKALMNS-CQSZACIVSA-N 1 1 343.431 0.727 50 0 ECAAMO Cc1nc2ccc(CC(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2[nH]1 ZINC000299795838 258100307 /nfs/dbraw/zinc/10/03/07/258100307.db2.gz LCRYBCLUKALMNS-CQSZACIVSA-N 1 1 343.431 0.727 50 0 ECAAMO Cc1nc2ccc(CC(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2[nH]1 ZINC000299795838 258100309 /nfs/dbraw/zinc/10/03/09/258100309.db2.gz LCRYBCLUKALMNS-CQSZACIVSA-N 1 1 343.431 0.727 50 0 ECAAMO Cc1cc(C)n(CCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)c(=O)n1 ZINC000299762037 258078802 /nfs/dbraw/zinc/07/88/02/258078802.db2.gz ZWRRJVBLZPGVID-LBPRGKRZSA-N 1 1 330.392 0.848 50 0 ECAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193354881 297103859 /nfs/dbraw/zinc/10/38/59/297103859.db2.gz BQMGVCYYOQIYQY-SECBINFHSA-N 1 1 336.410 0.212 50 0 ECAAMO COc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCCCC(=O)N3)C2=O)cc1 ZINC000013574919 286323756 /nfs/dbraw/zinc/32/37/56/286323756.db2.gz VECQTKGCLGWAIX-KGLIPLIRSA-N 1 1 331.372 0.933 50 0 ECAAMO CCOC(=O)c1sc(NC(=O)CN2CC[NH+](C)CC2)nc1C ZINC000023253605 276305238 /nfs/dbraw/zinc/30/52/38/276305238.db2.gz HKZNARMJCZVASJ-UHFFFAOYSA-N 1 1 326.422 0.814 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091997368 277051313 /nfs/dbraw/zinc/05/13/13/277051313.db2.gz HOAXNWJSHJXTCC-OAHLLOKOSA-N 1 1 325.453 0.156 50 0 ECAAMO CN1c2ccccc2C2(CCN(C[C@]3(O)C[NH2+]CCOC3)CC2)C1=O ZINC000077423560 277217436 /nfs/dbraw/zinc/21/74/36/277217436.db2.gz BIJVCIJMXJRARK-GOSISDBHSA-N 1 1 345.443 0.348 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CCCCN2C(C)=O)CC1 ZINC000070040852 280203419 /nfs/dbraw/zinc/20/34/19/280203419.db2.gz URIKUYSDJYHQQU-JKSUJKDBSA-N 1 1 325.453 0.693 50 0 ECAAMO Cc1cc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000334097631 297163408 /nfs/dbraw/zinc/16/34/08/297163408.db2.gz TWEYKPULGCGWAT-MRXNPFEDSA-N 1 1 345.447 0.838 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)n1 ZINC000069740207 435962517 /nfs/dbraw/zinc/96/25/17/435962517.db2.gz KLGRTOPJBGFING-IAGOWNOFSA-N 1 1 337.468 0.300 50 0 ECAAMO C[C@@H]1CN(c2ccc3nnnn3n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738266 435963330 /nfs/dbraw/zinc/96/33/30/435963330.db2.gz QNHOATLWDABEAR-HIFRSBDPSA-N 1 1 339.403 0.763 50 0 ECAAMO CCC[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000069771440 435965181 /nfs/dbraw/zinc/96/51/81/435965181.db2.gz BYHQRTMLOOGXRP-INIZCTEOSA-N 1 1 335.452 0.759 50 0 ECAAMO CCC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000069771440 435965187 /nfs/dbraw/zinc/96/51/87/435965187.db2.gz BYHQRTMLOOGXRP-INIZCTEOSA-N 1 1 335.452 0.759 50 0 ECAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@H](O)CN3CCOCC3)C2)nn1 ZINC000069775449 435965506 /nfs/dbraw/zinc/96/55/06/435965506.db2.gz WJDDNEJDVSANSA-SJORKVTESA-N 1 1 349.479 0.379 50 0 ECAAMO O=C(CSCC(=O)N1CC[NH+](C2CCC2)CC1)N1CCOCC1 ZINC000069841811 435968928 /nfs/dbraw/zinc/96/89/28/435968928.db2.gz BYAIMLVWYAGDBX-UHFFFAOYSA-N 1 1 341.477 0.275 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000069875496 435974314 /nfs/dbraw/zinc/97/43/14/435974314.db2.gz FUMJSVXWLHVNAE-CYBMUJFWSA-N 1 1 346.387 0.028 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000069921046 435976539 /nfs/dbraw/zinc/97/65/39/435976539.db2.gz PLGMRKWGDCSDER-JKSUJKDBSA-N 1 1 336.432 0.996 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000069921042 435977051 /nfs/dbraw/zinc/97/70/51/435977051.db2.gz PLGMRKWGDCSDER-CVEARBPZSA-N 1 1 336.432 0.996 50 0 ECAAMO CCOC(=O)c1cnn(CC[N@@H+]2CCC[C@H](C(=O)OCC)C2)c1N ZINC000069976933 435980513 /nfs/dbraw/zinc/98/05/13/435980513.db2.gz ABLLUOQCNPDEBP-LBPRGKRZSA-N 1 1 338.408 0.917 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000070040863 435986500 /nfs/dbraw/zinc/98/65/00/435986500.db2.gz IMDGIOZAICHUMD-ZIAGYGMSSA-N 1 1 335.404 0.153 50 0 ECAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069600659 435951117 /nfs/dbraw/zinc/95/11/17/435951117.db2.gz ZNXUSPBSDMRNQO-HZSPNIEDSA-N 1 1 346.497 0.281 50 0 ECAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069600659 435951121 /nfs/dbraw/zinc/95/11/21/435951121.db2.gz ZNXUSPBSDMRNQO-HZSPNIEDSA-N 1 1 346.497 0.281 50 0 ECAAMO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CC[N@@H+](C)C1)C2=O ZINC000069663203 435956826 /nfs/dbraw/zinc/95/68/26/435956826.db2.gz DGFAWMILNRJXKK-UIORMTCPSA-N 1 1 336.436 0.555 50 0 ECAAMO O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC[NH+](C2CC2)CC1 ZINC000071836696 436016895 /nfs/dbraw/zinc/01/68/95/436016895.db2.gz MPNKEIAZGWGCJU-MRXNPFEDSA-N 1 1 326.404 0.764 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)C1 ZINC000071876388 436022014 /nfs/dbraw/zinc/02/20/14/436022014.db2.gz DGKCCXYJPIGYLJ-HZPDHXFCSA-N 1 1 348.451 0.260 50 0 ECAAMO COCCNC(=O)c1ccc(NCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000071882460 436024107 /nfs/dbraw/zinc/02/41/07/436024107.db2.gz ADMVGIVFUJWGTP-OKILXGFUSA-N 1 1 336.436 0.979 50 0 ECAAMO COCCNC(=O)c1ccc(NCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000071882460 436024112 /nfs/dbraw/zinc/02/41/12/436024112.db2.gz ADMVGIVFUJWGTP-OKILXGFUSA-N 1 1 336.436 0.979 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000071881108 436025238 /nfs/dbraw/zinc/02/52/38/436025238.db2.gz XKGSEAGCUUMFPC-AWEZNQCLSA-N 1 1 344.415 0.312 50 0 ECAAMO CCCCC[N@@H+](CCO)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000071902325 436026691 /nfs/dbraw/zinc/02/66/91/436026691.db2.gz FXBAZCHYMQQKKT-GFCCVEGCSA-N 1 1 327.425 0.989 50 0 ECAAMO C[N@H+]1CCCN(CCCNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000071920356 436030961 /nfs/dbraw/zinc/03/09/61/436030961.db2.gz HJLDBCQGOLLUAS-UHFFFAOYSA-N 1 1 336.411 0.908 50 0 ECAAMO CN1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000071920356 436030965 /nfs/dbraw/zinc/03/09/65/436030965.db2.gz HJLDBCQGOLLUAS-UHFFFAOYSA-N 1 1 336.411 0.908 50 0 ECAAMO CN1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000071920356 436030970 /nfs/dbraw/zinc/03/09/70/436030970.db2.gz HJLDBCQGOLLUAS-UHFFFAOYSA-N 1 1 336.411 0.908 50 0 ECAAMO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269911 436038500 /nfs/dbraw/zinc/03/85/00/436038500.db2.gz PQNFLVUTJKAWKY-HZPDHXFCSA-N 1 1 345.447 0.748 50 0 ECAAMO COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072419286 436044202 /nfs/dbraw/zinc/04/42/02/436044202.db2.gz WAVGJOZXHFYWCN-INIZCTEOSA-N 1 1 346.435 0.622 50 0 ECAAMO C[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(Br)cc1 ZINC000024224249 436132868 /nfs/dbraw/zinc/13/28/68/436132868.db2.gz HWZPHDBPXQGCGK-UHFFFAOYSA-N 1 1 340.221 0.839 50 0 ECAAMO C[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(Br)cc1 ZINC000024224249 436132873 /nfs/dbraw/zinc/13/28/73/436132873.db2.gz HWZPHDBPXQGCGK-UHFFFAOYSA-N 1 1 340.221 0.839 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133576 436152636 /nfs/dbraw/zinc/15/26/36/436152636.db2.gz DWFCZAWXCKMNJV-DLBZAZTESA-N 1 1 347.463 0.854 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000075602913 436167269 /nfs/dbraw/zinc/16/72/69/436167269.db2.gz NIOQHVYHUMDCJE-CYBMUJFWSA-N 1 1 332.404 0.355 50 0 ECAAMO COCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000076054939 436187986 /nfs/dbraw/zinc/18/79/86/436187986.db2.gz BHXMBFHEJUKECI-GDBMZVCRSA-N 1 1 349.431 0.287 50 0 ECAAMO CC[NH+]1CCN(C(=O)Cn2nc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000077323500 436234582 /nfs/dbraw/zinc/23/45/82/436234582.db2.gz MPGQXAKAEDHTKR-UHFFFAOYSA-N 1 1 343.431 0.566 50 0 ECAAMO O[C@@]1(CN2CCN(CCCOc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000077453148 436237608 /nfs/dbraw/zinc/23/76/08/436237608.db2.gz HTZRZSXGYWZLPA-SFHVURJKSA-N 1 1 337.439 0.937 50 0 ECAAMO CCCn1nnnc1CN1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000076055168 436190044 /nfs/dbraw/zinc/19/00/44/436190044.db2.gz RLUCYJSOEPIVQC-DZGCQCFKSA-N 1 1 335.456 0.068 50 0 ECAAMO CC[N@@H+](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC1 ZINC000029914149 436213264 /nfs/dbraw/zinc/21/32/64/436213264.db2.gz VQHCEDMLMLRDKQ-UHFFFAOYSA-N 1 1 343.435 0.496 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)c1 ZINC000043275362 436329897 /nfs/dbraw/zinc/32/98/97/436329897.db2.gz QKMLLHCXXHPAGM-UHFFFAOYSA-N 1 1 344.415 0.533 50 0 ECAAMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000043303269 436330489 /nfs/dbraw/zinc/33/04/89/436330489.db2.gz YKLHXVSSHZVPNG-NXEZZACHSA-N 1 1 348.378 0.727 50 0 ECAAMO CC(C)COc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000045056971 436360911 /nfs/dbraw/zinc/36/09/11/436360911.db2.gz GNCBMVKSORRWCN-UHFFFAOYSA-N 1 1 334.420 0.796 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000084789334 436386561 /nfs/dbraw/zinc/38/65/61/436386561.db2.gz OPSLFGCYYMRXJP-HZPDHXFCSA-N 1 1 326.485 0.674 50 0 ECAAMO CCn1ccnc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1=O ZINC000091011033 436437002 /nfs/dbraw/zinc/43/70/02/436437002.db2.gz BAVZBCSPMRUMRW-UHFFFAOYSA-N 1 1 347.463 0.644 50 0 ECAAMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000048034566 436438982 /nfs/dbraw/zinc/43/89/82/436438982.db2.gz GLVBPVFTDQXBMB-ZDUSSCGKSA-N 1 1 335.404 0.170 50 0 ECAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@H](C(N)=O)C1)CC2 ZINC000048034339 436439412 /nfs/dbraw/zinc/43/94/12/436439412.db2.gz ISOMRNQKVMFCEE-ZDUSSCGKSA-N 1 1 347.415 0.396 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000048261424 436446621 /nfs/dbraw/zinc/44/66/21/436446621.db2.gz LHRBRIZIUPYNGC-UHFFFAOYSA-N 1 1 345.378 0.691 50 0 ECAAMO CS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091254553 436448633 /nfs/dbraw/zinc/44/86/33/436448633.db2.gz QESDJUBMRSCUFM-INIZCTEOSA-N 1 1 344.477 0.525 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000048368823 436450909 /nfs/dbraw/zinc/45/09/09/436450909.db2.gz KPMDLOKCFKGFGK-UHFFFAOYSA-N 1 1 346.431 0.521 50 0 ECAAMO CNC(=O)C[NH+]1CCC(Nc2nnnn2-c2ccc(C)cc2)CC1 ZINC000048354985 436450931 /nfs/dbraw/zinc/45/09/31/436450931.db2.gz VQCSORDRGRDDCL-UHFFFAOYSA-N 1 1 329.408 0.593 50 0 ECAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)C1=O ZINC000091617108 436455263 /nfs/dbraw/zinc/45/52/63/436455263.db2.gz QIKNVTYHINWAEN-QGZVFWFLSA-N 1 1 349.435 0.320 50 0 ECAAMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047494593 436421637 /nfs/dbraw/zinc/42/16/37/436421637.db2.gz RGGDCFPXNUBCGX-RWMBFGLXSA-N 1 1 325.409 0.139 50 0 ECAAMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047494593 436421641 /nfs/dbraw/zinc/42/16/41/436421641.db2.gz RGGDCFPXNUBCGX-RWMBFGLXSA-N 1 1 325.409 0.139 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000089938040 436422230 /nfs/dbraw/zinc/42/22/30/436422230.db2.gz VLYWQFXQVZSJJC-LBPRGKRZSA-N 1 1 326.418 0.631 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000089938040 436422231 /nfs/dbraw/zinc/42/22/31/436422231.db2.gz VLYWQFXQVZSJJC-LBPRGKRZSA-N 1 1 326.418 0.631 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000089977291 436423741 /nfs/dbraw/zinc/42/37/41/436423741.db2.gz YUEOIALHRHELIH-UHFFFAOYSA-N 1 1 340.449 0.224 50 0 ECAAMO CNC(=O)NCC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000090060405 436428104 /nfs/dbraw/zinc/42/81/04/436428104.db2.gz QZLTUKKTZLCOFW-OKILXGFUSA-N 1 1 340.468 0.653 50 0 ECAAMO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)NCCOc1ccccc1 ZINC000052215011 436503813 /nfs/dbraw/zinc/50/38/13/436503813.db2.gz HXBYVLFXVWTZMC-UHFFFAOYSA-N 1 1 346.431 0.671 50 0 ECAAMO Cn1cnnc1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436021 436531475 /nfs/dbraw/zinc/53/14/75/436531475.db2.gz ONXZVNFQCJPYDR-HNNXBMFYSA-N 1 1 329.404 0.722 50 0 ECAAMO Cn1cnnc1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436021 436531481 /nfs/dbraw/zinc/53/14/81/436531481.db2.gz ONXZVNFQCJPYDR-HNNXBMFYSA-N 1 1 329.404 0.722 50 0 ECAAMO CN(C)c1ccccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000096441419 436532873 /nfs/dbraw/zinc/53/28/73/436532873.db2.gz NRQVJLUEDSPRGC-ZDUSSCGKSA-N 1 1 326.466 0.758 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000097200598 436540958 /nfs/dbraw/zinc/54/09/58/436540958.db2.gz GTWWLZZKAISJKJ-INIZCTEOSA-N 1 1 345.447 0.506 50 0 ECAAMO C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000105073736 436570665 /nfs/dbraw/zinc/57/06/65/436570665.db2.gz MBFVROZICDLCOU-AWEZNQCLSA-N 1 1 330.388 0.291 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)Nc3cccnc3)C[C@H]2C)CC1 ZINC000107058118 436608159 /nfs/dbraw/zinc/60/81/59/436608159.db2.gz UOUFKVGLQCWGMJ-RHSMWYFYSA-N 1 1 345.447 0.505 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)Nc3cccnc3)C[C@H]2C)CC1 ZINC000107058118 436608162 /nfs/dbraw/zinc/60/81/62/436608162.db2.gz UOUFKVGLQCWGMJ-RHSMWYFYSA-N 1 1 345.447 0.505 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000108075610 436616076 /nfs/dbraw/zinc/61/60/76/436616076.db2.gz RMAOAFKZMATOOK-KGLIPLIRSA-N 1 1 326.466 0.347 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000108075610 436616079 /nfs/dbraw/zinc/61/60/79/436616079.db2.gz RMAOAFKZMATOOK-KGLIPLIRSA-N 1 1 326.466 0.347 50 0 ECAAMO C[N@H+]1CCC[C@H](C(=O)N2CCCn3nc(C(=O)NC4CC4)cc3C2)C1 ZINC000065385070 436657004 /nfs/dbraw/zinc/65/70/04/436657004.db2.gz WZXGWMXQNMZAGO-ZDUSSCGKSA-N 1 1 345.447 0.849 50 0 ECAAMO CN(C)c1cncc(O[C@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225407035 436709542 /nfs/dbraw/zinc/70/95/42/436709542.db2.gz TVUJHUMSDUHULL-ZDUSSCGKSA-N 1 1 334.424 0.363 50 0 ECAAMO C[NH+]1CCC(N[C@@H]2CCCN(c3nccn4c(=O)[nH]nc34)C2)CC1 ZINC000067350071 436711775 /nfs/dbraw/zinc/71/17/75/436711775.db2.gz GTFKLVNTBKIOQJ-CYBMUJFWSA-N 1 1 331.424 0.070 50 0 ECAAMO C[N@H+]1CCC[C@H](C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)C1 ZINC000065507109 436664779 /nfs/dbraw/zinc/66/47/79/436664779.db2.gz NFOBVWZMTWOYJV-LBPRGKRZSA-N 1 1 331.420 0.459 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)C(C)(C)NC(=O)c2cccs2)C[C@H]1CO ZINC000065488295 436665333 /nfs/dbraw/zinc/66/53/33/436665333.db2.gz XBQUFDSWJGBTDW-MNOVXSKESA-N 1 1 325.434 0.438 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610307 436668924 /nfs/dbraw/zinc/66/89/24/436668924.db2.gz FSKUOCYHKMUTRH-XQQFMLRXSA-N 1 1 326.441 0.391 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610307 436668928 /nfs/dbraw/zinc/66/89/28/436668928.db2.gz FSKUOCYHKMUTRH-XQQFMLRXSA-N 1 1 326.441 0.391 50 0 ECAAMO Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)[NH2+]CCNC3=O)n1 ZINC000067724083 436722731 /nfs/dbraw/zinc/72/27/31/436722731.db2.gz FNZJZUFAQZGQDM-UHFFFAOYSA-N 1 1 333.436 0.361 50 0 ECAAMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000229825815 436716491 /nfs/dbraw/zinc/71/64/91/436716491.db2.gz LNCOBKUFCRINPP-ZIAGYGMSSA-N 1 1 348.451 0.379 50 0 ECAAMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000229825815 436716495 /nfs/dbraw/zinc/71/64/95/436716495.db2.gz LNCOBKUFCRINPP-ZIAGYGMSSA-N 1 1 348.451 0.379 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(OCC(N)=O)CC1 ZINC000069416969 436772673 /nfs/dbraw/zinc/77/26/73/436772673.db2.gz ONXNZENJTHEQCW-ZDUSSCGKSA-N 1 1 326.441 0.537 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(N2CCNC2=O)CC1 ZINC000069560263 436780815 /nfs/dbraw/zinc/78/08/15/436780815.db2.gz GTLHQHILHAVSEE-GOSISDBHSA-N 1 1 346.475 0.969 50 0 ECAAMO CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000069560263 436780819 /nfs/dbraw/zinc/78/08/19/436780819.db2.gz GTLHQHILHAVSEE-GOSISDBHSA-N 1 1 346.475 0.969 50 0 ECAAMO CCN1CCN(C2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000069560068 436781112 /nfs/dbraw/zinc/78/11/12/436781112.db2.gz PXVZBLFHIPZLEN-CQSZACIVSA-N 1 1 340.468 0.750 50 0 ECAAMO Cc1cccc(C(=O)N[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000170595487 436946990 /nfs/dbraw/zinc/94/69/90/436946990.db2.gz PMQOWAAKWWXSBI-QFBILLFUSA-N 1 1 347.459 0.932 50 0 ECAAMO O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000170728111 436951445 /nfs/dbraw/zinc/95/14/45/436951445.db2.gz WVDJIASFOLGTLV-DLBZAZTESA-N 1 1 343.427 0.721 50 0 ECAAMO CCc1noc([C@H](C)NC(=O)N2CCC([N@@H+](C)CCO)CC2)n1 ZINC000426445187 438059161 /nfs/dbraw/zinc/05/91/61/438059161.db2.gz XOWCIKSJZLBRTR-NSHDSACASA-N 1 1 325.413 0.791 50 0 ECAAMO CN(CCO)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426494371 438063359 /nfs/dbraw/zinc/06/33/59/438063359.db2.gz SICSYLNCIIUJDD-URSIVYNOSA-N 1 1 344.459 0.188 50 0 ECAAMO Cc1cccnc1CCNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426538238 438065430 /nfs/dbraw/zinc/06/54/30/438065430.db2.gz ARUOFBKNKFIXDA-AWEZNQCLSA-N 1 1 343.431 0.587 50 0 ECAAMO Cc1nc(C)c(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)s1 ZINC000426724006 438073832 /nfs/dbraw/zinc/07/38/32/438073832.db2.gz PPJXPPHTVYWQNN-VXGBXAGGSA-N 1 1 348.494 0.091 50 0 ECAAMO Cc1nc(C)c(C[N@@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)s1 ZINC000426724006 438073841 /nfs/dbraw/zinc/07/38/41/438073841.db2.gz PPJXPPHTVYWQNN-VXGBXAGGSA-N 1 1 348.494 0.091 50 0 ECAAMO Cc1nnc(SCCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)[nH]1 ZINC000426746096 438073988 /nfs/dbraw/zinc/07/39/88/438073988.db2.gz MPFBIBXLWWFRDY-GFCCVEGCSA-N 1 1 349.464 0.685 50 0 ECAAMO CN1c2ccc(NC(=O)N3CC[NH+](C)CC3)cc2N(C)S1(=O)=O ZINC000390830261 438433059 /nfs/dbraw/zinc/43/30/59/438433059.db2.gz JUBWOLSWEQNVQX-UHFFFAOYSA-N 1 1 339.421 0.597 50 0 ECAAMO CC(C)SCC[N@@H+]1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000408518802 438581784 /nfs/dbraw/zinc/58/17/84/438581784.db2.gz BMJZNIZMBAVZOU-CYBMUJFWSA-N 1 1 326.466 1.035 50 0 ECAAMO CC(C)SCC[N@H+]1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000408518802 438581786 /nfs/dbraw/zinc/58/17/86/438581786.db2.gz BMJZNIZMBAVZOU-CYBMUJFWSA-N 1 1 326.466 1.035 50 0 ECAAMO C[C@H](O)C[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@H]1C ZINC000588080559 438817951 /nfs/dbraw/zinc/81/79/51/438817951.db2.gz HONCRPNMOVYTPM-ILXRZTDVSA-N 1 1 349.479 0.601 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@H]1C ZINC000588080559 438817954 /nfs/dbraw/zinc/81/79/54/438817954.db2.gz HONCRPNMOVYTPM-ILXRZTDVSA-N 1 1 349.479 0.601 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000458226587 438866541 /nfs/dbraw/zinc/86/65/41/438866541.db2.gz STJOAVALSBJGOH-GFCCVEGCSA-N 1 1 340.449 0.451 50 0 ECAAMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000583650865 439494630 /nfs/dbraw/zinc/49/46/30/439494630.db2.gz ATQJGZFHYMHIHE-LBPRGKRZSA-N 1 1 342.465 0.490 50 0 ECAAMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@H](C)C1 ZINC000583650863 439494699 /nfs/dbraw/zinc/49/46/99/439494699.db2.gz ATQJGZFHYMHIHE-GFCCVEGCSA-N 1 1 342.465 0.490 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)CCCO2 ZINC000534578167 439529539 /nfs/dbraw/zinc/52/95/39/439529539.db2.gz QZCUAZHYSRDQCN-OAHLLOKOSA-N 1 1 331.416 0.838 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)CCCO2 ZINC000534578167 439529543 /nfs/dbraw/zinc/52/95/43/439529543.db2.gz QZCUAZHYSRDQCN-OAHLLOKOSA-N 1 1 331.416 0.838 50 0 ECAAMO CCOc1ncccc1C(=O)N[C@H]1COC[C@@H]1N1CC[NH+](C)CC1 ZINC000534643829 439532147 /nfs/dbraw/zinc/53/21/47/439532147.db2.gz YVQSVZFTHRKDQJ-GJZGRUSLSA-N 1 1 334.420 0.225 50 0 ECAAMO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)ccn1 ZINC000585141201 439633722 /nfs/dbraw/zinc/63/37/22/439633722.db2.gz RGHOSNDZXXPZFW-OAHLLOKOSA-N 1 1 346.431 0.907 50 0 ECAAMO CN(C)c1nc(N)nc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 ZINC000584906702 439626734 /nfs/dbraw/zinc/62/67/34/439626734.db2.gz VEGJQBHELUOJDL-KBPBESRZSA-N 1 1 339.447 1.088 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000174738025 529055856 /nfs/dbraw/zinc/05/58/56/529055856.db2.gz RXCHPVPAYCHQTP-OAHLLOKOSA-N 1 1 335.452 0.012 50 0 ECAAMO C[NH+]1CCN(C(=O)Cn2cc(COc3cccc(F)c3)nn2)CC1 ZINC000227169799 536405125 /nfs/dbraw/zinc/40/51/25/536405125.db2.gz FGWMGTRWISCCKT-UHFFFAOYSA-N 1 1 333.367 0.770 50 0 ECAAMO CC[C@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735736 545713496 /nfs/dbraw/zinc/71/34/96/545713496.db2.gz YGWCLCLRNFLKTL-ZFWWWQNUSA-N 1 1 338.452 0.346 50 0 ECAAMO O=C(CCN1CCCCCC1=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670443555 548012275 /nfs/dbraw/zinc/01/22/75/548012275.db2.gz UUCOYQQHJOMHLK-HNNXBMFYSA-N 1 1 325.453 0.742 50 0 ECAAMO O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000684154434 549568501 /nfs/dbraw/zinc/56/85/01/549568501.db2.gz SXVXFNRRTVRGHH-CQSZACIVSA-N 1 1 345.378 0.882 50 0 ECAAMO C[C@@H]1CN(CCO)CCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942470 549728860 /nfs/dbraw/zinc/72/88/60/549728860.db2.gz RFOFLRZHUOZORM-CYBMUJFWSA-N 1 1 335.452 0.358 50 0 ECAAMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@](O)(Cn3ccnn3)C2)C1=O ZINC000585081579 586779324 /nfs/dbraw/zinc/77/93/24/586779324.db2.gz RRWWSTVCYWQSCZ-RHSMWYFYSA-N 1 1 335.452 0.752 50 0 ECAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCC(=O)OC(C)(C)C ZINC000585079491 608889099 /nfs/dbraw/zinc/88/90/99/608889099.db2.gz LIXMXMJFCCERDA-UHFFFAOYSA-N 1 1 327.425 0.341 50 0 ECAAMO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000952973750 612139173 /nfs/dbraw/zinc/13/91/73/612139173.db2.gz YJPWNZXDDRSIEH-ZDUSSCGKSA-N 1 1 338.495 0.310 50 0 ECAAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000952973750 612139175 /nfs/dbraw/zinc/13/91/75/612139175.db2.gz YJPWNZXDDRSIEH-ZDUSSCGKSA-N 1 1 338.495 0.310 50 0 ECAAMO CNC(=O)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981112 612139800 /nfs/dbraw/zinc/13/98/00/612139800.db2.gz KIIYIVYJTLECSW-AWEZNQCLSA-N 1 1 346.431 0.501 50 0 ECAAMO CC(C)[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981302 612139814 /nfs/dbraw/zinc/13/98/14/612139814.db2.gz DFJLXNLPTGYIBA-OCCSQVGLSA-N 1 1 349.435 0.958 50 0 ECAAMO CC(C)[C@H](NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981302 612139815 /nfs/dbraw/zinc/13/98/15/612139815.db2.gz DFJLXNLPTGYIBA-OCCSQVGLSA-N 1 1 349.435 0.958 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000023375225 738252927 /nfs/dbraw/zinc/25/29/27/738252927.db2.gz WHHPTQQLIOCFHV-ROUUACIJSA-N 1 1 339.443 0.844 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3cccnc3)CC[C@@]2(CO)C1 ZINC000675022387 741341827 /nfs/dbraw/zinc/34/18/27/741341827.db2.gz ZPFUTKLISGXUJE-CABCVRRESA-N 1 1 325.434 0.157 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3)CC[C@@]2(CO)C1 ZINC000675022387 741341830 /nfs/dbraw/zinc/34/18/30/741341830.db2.gz ZPFUTKLISGXUJE-CABCVRRESA-N 1 1 325.434 0.157 50 0 ECAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2nnc(C)o2)C1 ZINC000426494495 753137357 /nfs/dbraw/zinc/13/73/57/753137357.db2.gz YPUIMRYETWQMJP-CYBMUJFWSA-N 1 1 325.413 0.878 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCCn1ccnc1 ZINC000097674459 219045695 /nfs/dbraw/zinc/04/56/95/219045695.db2.gz JVHJTCJLUYOIAT-UHFFFAOYSA-N 1 1 343.435 0.553 50 0 ECAAMO Cn1ccnc1[C@H](NC(=O)C[N@H+]1CC[C@H](C(N)=O)C1)c1ccccc1 ZINC000052960964 214157819 /nfs/dbraw/zinc/15/78/19/214157819.db2.gz YFBWMESBNHIIKV-GOEBONIOSA-N 1 1 341.415 0.433 50 0 ECAAMO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998546 529908773 /nfs/dbraw/zinc/90/87/73/529908773.db2.gz DWXOKRBXROCNMV-HOTGVXAUSA-N 1 1 349.406 0.764 50 0 ECAAMO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998546 529908775 /nfs/dbraw/zinc/90/87/75/529908775.db2.gz DWXOKRBXROCNMV-HOTGVXAUSA-N 1 1 349.406 0.764 50 0 ECAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC(=O)NC1=O ZINC000174950958 529970567 /nfs/dbraw/zinc/97/05/67/529970567.db2.gz RVRKRAUFYRVFSI-OAHLLOKOSA-N 1 1 344.415 0.519 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(-n3cnnn3)ccc2O)C1 ZINC000067852330 215231390 /nfs/dbraw/zinc/23/13/90/215231390.db2.gz DREHHTJWDJIZMA-LBPRGKRZSA-N 1 1 330.392 0.830 50 0 ECAAMO COC(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000038718797 213221697 /nfs/dbraw/zinc/22/16/97/213221697.db2.gz ZFYWKAIRQNEJMJ-UHFFFAOYSA-N 1 1 330.344 0.733 50 0 ECAAMO C[NH+]1CCN(c2cc(OCCNC(=O)c3ccco3)ncn2)CC1 ZINC000038521259 213213868 /nfs/dbraw/zinc/21/38/68/213213868.db2.gz PUOHIUNUDVTBBK-UHFFFAOYSA-N 1 1 331.376 0.630 50 0 ECAAMO O=C(CCn1cc(Cl)cn1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072120927 216013573 /nfs/dbraw/zinc/01/35/73/216013573.db2.gz JCRSBLHALNGLML-LBPRGKRZSA-N 1 1 325.800 0.006 50 0 ECAAMO CN(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000072142094 216027578 /nfs/dbraw/zinc/02/75/78/216027578.db2.gz FLSJOLATWPYKLU-CQSZACIVSA-N 1 1 345.451 0.461 50 0 ECAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000072142094 216027581 /nfs/dbraw/zinc/02/75/81/216027581.db2.gz FLSJOLATWPYKLU-CQSZACIVSA-N 1 1 345.451 0.461 50 0 ECAAMO O=C(c1cc(NCC[N@@H+]2CCCC[C@@H]2CO)ccn1)N1CCOCC1 ZINC000072133523 216022469 /nfs/dbraw/zinc/02/24/69/216022469.db2.gz ISVPJLZTRQTGMS-MRXNPFEDSA-N 1 1 348.447 0.813 50 0 ECAAMO Cc1cc(C)n(CCCC(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)n1 ZINC000072153754 216042160 /nfs/dbraw/zinc/04/21/60/216042160.db2.gz HJRXFXYOTAEEFW-HNNXBMFYSA-N 1 1 333.436 0.359 50 0 ECAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCOCC1 ZINC000072159056 216048327 /nfs/dbraw/zinc/04/83/27/216048327.db2.gz GBNLQKTVYXWWED-QGZVFWFLSA-N 1 1 345.443 0.669 50 0 ECAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCOCC1 ZINC000072159056 216048329 /nfs/dbraw/zinc/04/83/29/216048329.db2.gz GBNLQKTVYXWWED-QGZVFWFLSA-N 1 1 345.443 0.669 50 0 ECAAMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072453891 216240612 /nfs/dbraw/zinc/24/06/12/216240612.db2.gz JAKDXKBSGJJMIF-MRXNPFEDSA-N 1 1 330.432 0.835 50 0 ECAAMO Cn1c2ccc(CNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)cc2n(C)c1=O ZINC000072457000 216242230 /nfs/dbraw/zinc/24/22/30/216242230.db2.gz WLPBMCNGMLBSSZ-OAHLLOKOSA-N 1 1 340.387 0.103 50 0 ECAAMO O=C1CC[C@H]2C[N@@H+](C(CO)CO)CC[C@H]2N1CCc1ccccc1 ZINC000072456873 216242367 /nfs/dbraw/zinc/24/23/67/216242367.db2.gz PXDRXWGHIGVPCA-FUHWJXTLSA-N 1 1 332.444 0.895 50 0 ECAAMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000022593021 212309019 /nfs/dbraw/zinc/30/90/19/212309019.db2.gz VWFXURSKTSDKTC-DOTOQJQBSA-N 1 1 347.459 0.711 50 0 ECAAMO COc1cc(OC)cc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)c1 ZINC000022465936 212300051 /nfs/dbraw/zinc/30/00/51/212300051.db2.gz XCZVHZKTWOLIJF-HNNXBMFYSA-N 1 1 333.388 0.583 50 0 ECAAMO Cc1ccc2c(c1)CCCN2C(=O)CN1CC[N@@H+](CCO)C[C@@H](O)C1 ZINC000216909695 241220014 /nfs/dbraw/zinc/22/00/14/241220014.db2.gz STJFZBPOYMNZRX-QGZVFWFLSA-N 1 1 347.459 0.245 50 0 ECAAMO O[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000244734748 243070372 /nfs/dbraw/zinc/07/03/72/243070372.db2.gz NLEQPRZWVGMWGK-OALUTQOASA-N 1 1 342.443 0.809 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000244734748 243070377 /nfs/dbraw/zinc/07/03/77/243070377.db2.gz NLEQPRZWVGMWGK-OALUTQOASA-N 1 1 342.443 0.809 50 0 ECAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)CC1 ZINC000019972533 212092925 /nfs/dbraw/zinc/09/29/25/212092925.db2.gz WPLTXOCTJULRKC-MRXNPFEDSA-N 1 1 344.415 0.914 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 ZINC000019831325 212072694 /nfs/dbraw/zinc/07/26/94/212072694.db2.gz YZJQMJMKZLXDBD-CQSZACIVSA-N 1 1 347.415 0.584 50 0 ECAAMO CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000019790995 212067830 /nfs/dbraw/zinc/06/78/30/212067830.db2.gz YZLAWCXWKMYDBZ-UHFFFAOYSA-N 1 1 335.404 0.862 50 0 ECAAMO C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCC[NH+]3CCN(C)CC3)cc2C1 ZINC000049551166 214019247 /nfs/dbraw/zinc/01/92/47/214019247.db2.gz PTLMOAYOKCMLDG-CQSZACIVSA-N 1 1 346.475 0.867 50 0 ECAAMO CN(C)C(=O)C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091426304 218004173 /nfs/dbraw/zinc/00/41/73/218004173.db2.gz ZELVQULVMUMJCZ-UHFFFAOYSA-N 1 1 331.424 0.328 50 0 ECAAMO COCC[N@H+]1C[C@H](NC(=O)CCc2nc(Cl)n[nH]2)[C@@H](C2CC2)C1 ZINC000091625968 218034167 /nfs/dbraw/zinc/03/41/67/218034167.db2.gz YDOGJLALLYTMMV-NEPJUHHUSA-N 1 1 341.843 0.864 50 0 ECAAMO CCCc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)[nH]n1 ZINC000091526381 218018090 /nfs/dbraw/zinc/01/80/90/218018090.db2.gz MBWYMCSWCRXAGG-ZIAGYGMSSA-N 1 1 336.436 0.375 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000091586751 218026128 /nfs/dbraw/zinc/02/61/28/218026128.db2.gz JWCLRDDWKWTVHU-OAHLLOKOSA-N 1 1 345.443 0.694 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@]12CCNC(=O)CC2 ZINC000091603084 218029976 /nfs/dbraw/zinc/02/99/76/218029976.db2.gz UAPWWZWQXFSLFK-SFHVURJKSA-N 1 1 345.447 0.715 50 0 ECAAMO Cn1ccc2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@@H+](C)CCO)C3)cc21 ZINC000091690613 218048660 /nfs/dbraw/zinc/04/86/60/218048660.db2.gz CEPGVYVDYXQITJ-IAGOWNOFSA-N 1 1 345.443 0.783 50 0 ECAAMO CCCc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n(C)n1 ZINC000091694358 218049315 /nfs/dbraw/zinc/04/93/15/218049315.db2.gz KLJWZDLJUCMYNL-GOSISDBHSA-N 1 1 347.463 0.799 50 0 ECAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000091664215 218043055 /nfs/dbraw/zinc/04/30/55/218043055.db2.gz NKYXQHOBZHIQNE-CYBMUJFWSA-N 1 1 334.424 0.210 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)on1 ZINC000091746488 218058270 /nfs/dbraw/zinc/05/82/70/218058270.db2.gz RASLYIANYFOFGK-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)on1 ZINC000091746488 218058272 /nfs/dbraw/zinc/05/82/72/218058272.db2.gz RASLYIANYFOFGK-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)on1 ZINC000091746488 218058274 /nfs/dbraw/zinc/05/82/74/218058274.db2.gz RASLYIANYFOFGK-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO Cc1ccc2c(c1)c(CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)nn2C ZINC000091820234 218071867 /nfs/dbraw/zinc/07/18/67/218071867.db2.gz WFARAAJEQLQUGZ-ZDUSSCGKSA-N 1 1 343.431 0.695 50 0 ECAAMO CC(=O)N1C[C@H](NC(=O)C[NH+]2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000091849051 218076893 /nfs/dbraw/zinc/07/68/93/218076893.db2.gz JEVWERNHXVIWOU-MSOLQXFVSA-N 1 1 345.443 0.574 50 0 ECAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091892699 218084843 /nfs/dbraw/zinc/08/48/43/218084843.db2.gz CXQBXGILGNRATM-GXTWGEPZSA-N 1 1 332.404 0.485 50 0 ECAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2)N1CCOCC1 ZINC000091907713 218087012 /nfs/dbraw/zinc/08/70/12/218087012.db2.gz PETPIIDYIRMZCU-FUHWJXTLSA-N 1 1 344.459 0.837 50 0 ECAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)N1CCOCC1 ZINC000091907713 218087015 /nfs/dbraw/zinc/08/70/15/218087015.db2.gz PETPIIDYIRMZCU-FUHWJXTLSA-N 1 1 344.459 0.837 50 0 ECAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)N1CCOCC1 ZINC000091907713 218087017 /nfs/dbraw/zinc/08/70/17/218087017.db2.gz PETPIIDYIRMZCU-FUHWJXTLSA-N 1 1 344.459 0.837 50 0 ECAAMO CN(C)c1ncc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cn1 ZINC000091915301 218087886 /nfs/dbraw/zinc/08/78/86/218087886.db2.gz HAMQAAYXDFILGD-CABCVRRESA-N 1 1 335.452 0.233 50 0 ECAAMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCc4ccccc43)CC2)C1=O ZINC000008769235 211002322 /nfs/dbraw/zinc/00/23/22/211002322.db2.gz VQQFGMSHSPVVOL-UHFFFAOYSA-N 1 1 342.399 0.592 50 0 ECAAMO O=c1[nH]c2ccccc2c(=O)n1C[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058405289 285200292 /nfs/dbraw/zinc/20/02/92/285200292.db2.gz BCZGKGRTPCXKJO-CJNGLKHVSA-N 1 1 345.399 0.427 50 0 ECAAMO Cc1cc(=O)cc(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)n1C ZINC000299787964 258094251 /nfs/dbraw/zinc/09/42/51/258094251.db2.gz UFYKNHRAOARCSD-OAHLLOKOSA-N 1 1 333.432 0.755 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc3c[nH]nc32)C1 ZINC000299763011 258079155 /nfs/dbraw/zinc/07/91/55/258079155.db2.gz ODTCVAISZXGAGA-LBPRGKRZSA-N 1 1 330.392 0.882 50 0 ECAAMO c1ccc(N2CCN(CCN3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574859 275067714 /nfs/dbraw/zinc/06/77/14/275067714.db2.gz CSKARBPCSUTODP-FQEVSTJZSA-N 1 1 343.519 0.788 50 0 ECAAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000071905618 278231649 /nfs/dbraw/zinc/23/16/49/278231649.db2.gz CVUCWCLAUKHHKT-KBPBESRZSA-N 1 1 347.481 0.028 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778620 278395099 /nfs/dbraw/zinc/39/50/99/278395099.db2.gz XDMVFZDNFVTAAB-LLVKDONJSA-N 1 1 325.375 0.690 50 0 ECAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H](C)NC(N)=O)CC2)c1C ZINC000095393927 281227992 /nfs/dbraw/zinc/22/79/92/281227992.db2.gz NJNVOVRDPKLUEP-HNNXBMFYSA-N 1 1 347.463 0.598 50 0 ECAAMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000332981637 297096689 /nfs/dbraw/zinc/09/66/89/297096689.db2.gz OBUZQLGZAUZDJO-LVQVYYBASA-N 1 1 341.452 0.685 50 0 ECAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000072286564 300316270 /nfs/dbraw/zinc/31/62/70/300316270.db2.gz UWUNAELSTACKNV-GXTWGEPZSA-N 1 1 349.456 0.830 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccn(C)c3=O)CC2)cn1 ZINC000069773575 435966417 /nfs/dbraw/zinc/96/64/17/435966417.db2.gz IZLRBKDWZLWJQB-UHFFFAOYSA-N 1 1 343.431 0.950 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccn(C)c3=O)CC2)cn1 ZINC000069773575 435966423 /nfs/dbraw/zinc/96/64/23/435966423.db2.gz IZLRBKDWZLWJQB-UHFFFAOYSA-N 1 1 343.431 0.950 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000069898311 435973904 /nfs/dbraw/zinc/97/39/04/435973904.db2.gz QUGARKIMEVJEOU-MRXNPFEDSA-N 1 1 336.432 0.915 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000069919789 435977078 /nfs/dbraw/zinc/97/70/78/435977078.db2.gz WBHWJUMHZNKORQ-QGZVFWFLSA-N 1 1 348.443 0.706 50 0 ECAAMO C[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000000347888 435952538 /nfs/dbraw/zinc/95/25/38/435952538.db2.gz NXDJWEINEGQCBN-INIZCTEOSA-N 1 1 330.432 0.992 50 0 ECAAMO COc1ccc2c(c1)CCCN2C(=O)CN1CC[NH+](CCO)CC1 ZINC000069655519 435953608 /nfs/dbraw/zinc/95/36/08/435953608.db2.gz DJOCWMMMGYGLIX-UHFFFAOYSA-N 1 1 333.432 0.584 50 0 ECAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCS(=O)(=O)CC2)CC1 ZINC000001396279 435957455 /nfs/dbraw/zinc/95/74/55/435957455.db2.gz KACLMQQYDONFFT-UHFFFAOYSA-N 1 1 337.445 0.309 50 0 ECAAMO O=C(Cn1nc(-c2cccs2)oc1=O)N1CC[NH+](C2CC2)CC1 ZINC000071836731 436015210 /nfs/dbraw/zinc/01/52/10/436015210.db2.gz NSWAAHKIMQYXMI-UHFFFAOYSA-N 1 1 334.401 0.871 50 0 ECAAMO NC(=O)[C@H]1CC[N@H+](Cc2nc(CC(=O)NCc3ccccc3)no2)C1 ZINC000071853366 436017431 /nfs/dbraw/zinc/01/74/31/436017431.db2.gz ROQWABROCCTKCE-ZDUSSCGKSA-N 1 1 343.387 0.236 50 0 ECAAMO NC(=O)[C@H]1CC[N@@H+](Cc2nc(CC(=O)NCc3ccccc3)no2)C1 ZINC000071853366 436017438 /nfs/dbraw/zinc/01/74/38/436017438.db2.gz ROQWABROCCTKCE-ZDUSSCGKSA-N 1 1 343.387 0.236 50 0 ECAAMO Cc1cccn2c(=O)cc(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)nc12 ZINC000071864272 436018381 /nfs/dbraw/zinc/01/83/81/436018381.db2.gz FZMJLPQCOCJHIP-HUUCEWRRSA-N 1 1 330.432 0.890 50 0 ECAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000071870606 436021371 /nfs/dbraw/zinc/02/13/71/436021371.db2.gz FRSABHBFPDOBIH-ZDUSSCGKSA-N 1 1 326.422 0.391 50 0 ECAAMO CC[N@@H+](CCO)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008395499 436028236 /nfs/dbraw/zinc/02/82/36/436028236.db2.gz DMTFYULSARXERR-ZDUSSCGKSA-N 1 1 327.377 0.536 50 0 ECAAMO CCOC(=O)CCCS(=O)(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000071893101 436029179 /nfs/dbraw/zinc/02/91/79/436029179.db2.gz YPKGFPWSBLVFLK-UHFFFAOYSA-N 1 1 349.497 0.277 50 0 ECAAMO CCN(C[C@H]1CCOC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000071920331 436029980 /nfs/dbraw/zinc/02/99/80/436029980.db2.gz JHEKMXOICWAFTL-CABCVRRESA-N 1 1 340.468 0.642 50 0 ECAAMO O=C(CCN1Cc2ccccc2C1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072165762 436037840 /nfs/dbraw/zinc/03/78/40/436037840.db2.gz YDFNLANOLAQKCT-LJQANCHMSA-N 1 1 345.443 0.610 50 0 ECAAMO C[C@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000072290754 436042497 /nfs/dbraw/zinc/04/24/97/436042497.db2.gz AFBKMQQKKQIQTL-XIKOKIGWSA-N 1 1 342.399 0.244 50 0 ECAAMO C[C@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000072290754 436042502 /nfs/dbraw/zinc/04/25/02/436042502.db2.gz AFBKMQQKKQIQTL-XIKOKIGWSA-N 1 1 342.399 0.244 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CNc1nc2nonc2nc1N1CCOCC1 ZINC000019742738 436106979 /nfs/dbraw/zinc/10/69/79/436106979.db2.gz WZSUYMJROLAZSL-NSHDSACASA-N 1 1 333.396 0.746 50 0 ECAAMO c1ccc(-n2nnnc2NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000012738257 436054877 /nfs/dbraw/zinc/05/48/77/436054877.db2.gz ZEQVSLQUNHXVDG-GDBMZVCRSA-N 1 1 344.419 0.812 50 0 ECAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000013371601 436062533 /nfs/dbraw/zinc/06/25/33/436062533.db2.gz IOCPUMWIZOSWCF-KBPBESRZSA-N 1 1 347.458 0.634 50 0 ECAAMO Cn1cc(N2CCC[C@@H](NC(=O)N3CC[NH+](C4CC4)CC3)C2)cn1 ZINC000074613085 436133712 /nfs/dbraw/zinc/13/37/12/436133712.db2.gz GQDWKOOVVHSIPZ-CQSZACIVSA-N 1 1 332.452 0.879 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423867 436149723 /nfs/dbraw/zinc/14/97/23/436149723.db2.gz OONUVEXOJNOPEP-JKSUJKDBSA-N 1 1 344.459 0.921 50 0 ECAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)NC[C@H]1COc2ccccc2O1 ZINC000028078569 436186933 /nfs/dbraw/zinc/18/69/33/436186933.db2.gz GTQMYZSUJAZGET-AWEZNQCLSA-N 1 1 348.399 0.782 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)no1 ZINC000076047332 436186427 /nfs/dbraw/zinc/18/64/27/436186427.db2.gz NWEDLTWUYQUKRG-CQSZACIVSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)no1 ZINC000076047332 436186432 /nfs/dbraw/zinc/18/64/32/436186432.db2.gz NWEDLTWUYQUKRG-CQSZACIVSA-N 1 1 337.424 0.179 50 0 ECAAMO C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408144 436236993 /nfs/dbraw/zinc/23/69/93/436236993.db2.gz CSKDTLSUUWWHAF-ZDUSSCGKSA-N 1 1 328.420 0.413 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2C)CC1 ZINC000076055443 436188605 /nfs/dbraw/zinc/18/86/05/436188605.db2.gz XPDYTOILWRYMEF-KSSFIOAISA-N 1 1 344.459 0.770 50 0 ECAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000028727119 436191130 /nfs/dbraw/zinc/19/11/30/436191130.db2.gz DSOMGTAJVHCXSW-LBPRGKRZSA-N 1 1 341.433 0.186 50 0 ECAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000028727119 436191134 /nfs/dbraw/zinc/19/11/34/436191134.db2.gz DSOMGTAJVHCXSW-LBPRGKRZSA-N 1 1 341.433 0.186 50 0 ECAAMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[NH+](CCO)CC1 ZINC000032850917 436246274 /nfs/dbraw/zinc/24/62/74/436246274.db2.gz QRFXNDVAIYKNKQ-ZDUSSCGKSA-N 1 1 343.435 0.868 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)c2cnc3sccn3c2=O)CC1 ZINC000041442202 436277734 /nfs/dbraw/zinc/27/77/34/436277734.db2.gz FBZXFVIFHQAXQB-UHFFFAOYSA-N 1 1 349.460 0.513 50 0 ECAAMO O=C(NCc1ccccn1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759605 436316555 /nfs/dbraw/zinc/31/65/55/436316555.db2.gz LMBVYZUTHRHIDD-GOEBONIOSA-N 1 1 334.420 0.618 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000043861287 436335926 /nfs/dbraw/zinc/33/59/26/436335926.db2.gz LARFZHGXTCXWQI-CQSZACIVSA-N 1 1 340.468 0.832 50 0 ECAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCCn1cnnn1 ZINC000082160453 436363253 /nfs/dbraw/zinc/36/32/53/436363253.db2.gz ZCEBOHOHIRVPEX-MRXNPFEDSA-N 1 1 328.420 0.968 50 0 ECAAMO O=C(CCCn1cnnn1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082137583 436364014 /nfs/dbraw/zinc/36/40/14/436364014.db2.gz WRXVNTJZBOGZTA-UHFFFAOYSA-N 1 1 329.408 0.583 50 0 ECAAMO O=C(CCCn1cnnn1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082137583 436364017 /nfs/dbraw/zinc/36/40/17/436364017.db2.gz WRXVNTJZBOGZTA-UHFFFAOYSA-N 1 1 329.408 0.583 50 0 ECAAMO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000084630705 436381417 /nfs/dbraw/zinc/38/14/17/436381417.db2.gz QNTRKWAQEUPSAV-ZDUSSCGKSA-N 1 1 349.435 0.856 50 0 ECAAMO CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000084630705 436381422 /nfs/dbraw/zinc/38/14/22/436381422.db2.gz QNTRKWAQEUPSAV-ZDUSSCGKSA-N 1 1 349.435 0.856 50 0 ECAAMO CC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735842 436383625 /nfs/dbraw/zinc/38/36/25/436383625.db2.gz FSNNFYWXLOCPTL-JKSUJKDBSA-N 1 1 333.432 0.808 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000084736108 436383935 /nfs/dbraw/zinc/38/39/35/436383935.db2.gz CSJUPUURJOBMOY-UKRRQHHQSA-N 1 1 329.404 0.912 50 0 ECAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000084789331 436386579 /nfs/dbraw/zinc/38/65/79/436386579.db2.gz OPSLFGCYYMRXJP-JKSUJKDBSA-N 1 1 326.485 0.674 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000046918809 436405096 /nfs/dbraw/zinc/40/50/96/436405096.db2.gz TVIWOWBRGFKFFS-UHFFFAOYSA-N 1 1 334.376 0.164 50 0 ECAAMO CN1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCN(C)CC2)CC1=O ZINC000046935239 436405856 /nfs/dbraw/zinc/40/58/56/436405856.db2.gz BRVWMWOEXHYCDK-QGZVFWFLSA-N 1 1 344.459 0.529 50 0 ECAAMO Cn1c(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)cc(=O)n(C)c1=O ZINC000044949150 436356098 /nfs/dbraw/zinc/35/60/98/436356098.db2.gz DYZDRFMFBUKBIQ-GASCZTMLSA-N 1 1 337.420 0.244 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1cnccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044971283 436358930 /nfs/dbraw/zinc/35/89/30/436358930.db2.gz IAOQKJVCYIAACI-MELADBBJSA-N 1 1 336.440 0.685 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1cnccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044971283 436358932 /nfs/dbraw/zinc/35/89/32/436358932.db2.gz IAOQKJVCYIAACI-MELADBBJSA-N 1 1 336.440 0.685 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@H+](Cc3cccc4nonc43)C[C@@H]2CO)CC1 ZINC000091351043 436448313 /nfs/dbraw/zinc/44/83/13/436448313.db2.gz VBOABUNCMOABJV-HZPDHXFCSA-N 1 1 345.447 0.511 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@@H]2CO)CC1 ZINC000091351043 436448317 /nfs/dbraw/zinc/44/83/17/436448317.db2.gz VBOABUNCMOABJV-HZPDHXFCSA-N 1 1 345.447 0.511 50 0 ECAAMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325723 436449958 /nfs/dbraw/zinc/44/99/58/436449958.db2.gz GFJSWGGSURVWGZ-HOTGVXAUSA-N 1 1 335.452 0.214 50 0 ECAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)cc1OC ZINC000048362339 436450334 /nfs/dbraw/zinc/45/03/34/436450334.db2.gz QPZRLCFPAZKLJV-CQSZACIVSA-N 1 1 347.415 0.799 50 0 ECAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1OC ZINC000048362339 436450337 /nfs/dbraw/zinc/45/03/37/436450337.db2.gz QPZRLCFPAZKLJV-CQSZACIVSA-N 1 1 347.415 0.799 50 0 ECAAMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000048365073 436450584 /nfs/dbraw/zinc/45/05/84/436450584.db2.gz PJDAISHDPINYAW-LBPRGKRZSA-N 1 1 344.415 0.850 50 0 ECAAMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000048365073 436450587 /nfs/dbraw/zinc/45/05/87/436450587.db2.gz PJDAISHDPINYAW-LBPRGKRZSA-N 1 1 344.415 0.850 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000048361489 436451678 /nfs/dbraw/zinc/45/16/78/436451678.db2.gz DNRYSLZPNJKUKE-OAHLLOKOSA-N 1 1 346.431 0.500 50 0 ECAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)[nH]1 ZINC000091657292 436457208 /nfs/dbraw/zinc/45/72/08/436457208.db2.gz VEBWOTWAEXQZKD-HZPDHXFCSA-N 1 1 348.491 0.895 50 0 ECAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)[nH]1 ZINC000091657292 436457212 /nfs/dbraw/zinc/45/72/12/436457212.db2.gz VEBWOTWAEXQZKD-HZPDHXFCSA-N 1 1 348.491 0.895 50 0 ECAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)[nH]1 ZINC000091657292 436457219 /nfs/dbraw/zinc/45/72/19/436457219.db2.gz VEBWOTWAEXQZKD-HZPDHXFCSA-N 1 1 348.491 0.895 50 0 ECAAMO Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)cn1 ZINC000091877288 436462680 /nfs/dbraw/zinc/46/26/80/436462680.db2.gz XFCRUXYDMKUXRI-UONOGXRCSA-N 1 1 331.420 0.410 50 0 ECAAMO Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC000091877288 436462685 /nfs/dbraw/zinc/46/26/85/436462685.db2.gz XFCRUXYDMKUXRI-UONOGXRCSA-N 1 1 331.420 0.410 50 0 ECAAMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089499567 436412359 /nfs/dbraw/zinc/41/23/59/436412359.db2.gz CRMWUMFHIGXAOV-GFCCVEGCSA-N 1 1 341.415 0.845 50 0 ECAAMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089499567 436412369 /nfs/dbraw/zinc/41/23/69/436412369.db2.gz CRMWUMFHIGXAOV-GFCCVEGCSA-N 1 1 341.415 0.845 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C[NH+]1CCOCC1 ZINC000089900803 436419080 /nfs/dbraw/zinc/41/90/80/436419080.db2.gz OHQWEIFLGJHFEB-HOTGVXAUSA-N 1 1 349.479 0.962 50 0 ECAAMO CC(C)N1C(=O)N[C@@](C)([C@@H]2CCC[N@@H+](CCn3cncn3)C2)C1=O ZINC000089869771 436419748 /nfs/dbraw/zinc/41/97/48/436419748.db2.gz KHEQAJPLNSITKZ-CJNGLKHVSA-N 1 1 334.424 0.709 50 0 ECAAMO CC[NH+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000089977294 436423587 /nfs/dbraw/zinc/42/35/87/436423587.db2.gz NCNOROAMVDQJJE-UHFFFAOYSA-N 1 1 326.422 0.181 50 0 ECAAMO Cc1cc(C)n(CC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000047636076 436426905 /nfs/dbraw/zinc/42/69/05/436426905.db2.gz MMEFEVPTVNUGIC-HOTGVXAUSA-N 1 1 336.436 0.353 50 0 ECAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095371013 436491484 /nfs/dbraw/zinc/49/14/84/436491484.db2.gz WRHRZDTYPYGJKI-HZPDHXFCSA-N 1 1 326.404 0.796 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1ncccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106100954 436590120 /nfs/dbraw/zinc/59/01/20/436590120.db2.gz HUKZSJMOHFHNOR-MGPQQGTHSA-N 1 1 336.440 0.685 50 0 ECAAMO COCC(=O)N1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)CCN2C ZINC000106722597 436600867 /nfs/dbraw/zinc/60/08/67/436600867.db2.gz LSWLLJQXAGRDSE-OAHLLOKOSA-N 1 1 325.453 0.278 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000106868182 436603068 /nfs/dbraw/zinc/60/30/68/436603068.db2.gz NPTUHYSNTHKNOR-KBPBESRZSA-N 1 1 348.426 0.997 50 0 ECAAMO Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000106868753 436603686 /nfs/dbraw/zinc/60/36/86/436603686.db2.gz JPIMUIWCXKGFOZ-CYBMUJFWSA-N 1 1 337.424 0.133 50 0 ECAAMO Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000106868753 436603687 /nfs/dbraw/zinc/60/36/87/436603687.db2.gz JPIMUIWCXKGFOZ-CYBMUJFWSA-N 1 1 337.424 0.133 50 0 ECAAMO C[C@@H]1C[N@@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000107142635 436608322 /nfs/dbraw/zinc/60/83/22/436608322.db2.gz MMJICISBXYTVGY-MWLCHTKSSA-N 1 1 325.390 0.360 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000107058206 436608871 /nfs/dbraw/zinc/60/88/71/436608871.db2.gz ZJUJFGHULUYYLS-CRAIPNDOSA-N 1 1 333.480 0.837 50 0 ECAAMO COCCCNC(=O)CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000058167360 436620740 /nfs/dbraw/zinc/62/07/40/436620740.db2.gz UCFANWGMXSPBAA-UHFFFAOYSA-N 1 1 327.469 0.573 50 0 ECAAMO CC[NH+]1CCN(C(=O)C2CCN(c3cncnc3N(C)C)CC2)CC1 ZINC000065226184 436653234 /nfs/dbraw/zinc/65/32/34/436653234.db2.gz PWWVVFQUJUOEQZ-UHFFFAOYSA-N 1 1 346.479 0.923 50 0 ECAAMO C[N@H+](CCC(=O)NCCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000223360599 436704268 /nfs/dbraw/zinc/70/42/68/436704268.db2.gz UVKGZWVBMQDASP-GFCCVEGCSA-N 1 1 348.856 0.162 50 0 ECAAMO C[N@@H+](CCC(=O)NCCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000223360599 436704273 /nfs/dbraw/zinc/70/42/73/436704273.db2.gz UVKGZWVBMQDASP-GFCCVEGCSA-N 1 1 348.856 0.162 50 0 ECAAMO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000223182153 436705286 /nfs/dbraw/zinc/70/52/86/436705286.db2.gz NTOYUJJXWKNBQK-NVXWUHKLSA-N 1 1 346.431 0.957 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccccc1N1CCOCC1 ZINC000223593621 436706319 /nfs/dbraw/zinc/70/63/19/436706319.db2.gz ZEQUKTBPRQSNAV-RDJZCZTQSA-N 1 1 333.432 0.972 50 0 ECAAMO COc1cncc(O[C@@H]2CCCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225501172 436712388 /nfs/dbraw/zinc/71/23/88/436712388.db2.gz HOQPNSNYPQXNPO-CYBMUJFWSA-N 1 1 335.408 0.696 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnc3ccccc3c2O)CC1 ZINC000065458119 436662978 /nfs/dbraw/zinc/66/29/78/436662978.db2.gz CCLBEBUCRSFKNH-UHFFFAOYSA-N 1 1 342.399 0.468 50 0 ECAAMO CCCc1nc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)cc(C)[nH+]1 ZINC000065528521 436666435 /nfs/dbraw/zinc/66/64/35/436666435.db2.gz BSVUEHDVDMQMLB-GFCCVEGCSA-N 1 1 328.438 0.810 50 0 ECAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H](C)C1 ZINC000229310542 436714585 /nfs/dbraw/zinc/71/45/85/436714585.db2.gz OIVOYXZYWFWPRL-JQWIXIFHSA-N 1 1 339.417 0.750 50 0 ECAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)[C@@H](C)C1 ZINC000229311044 436714631 /nfs/dbraw/zinc/71/46/31/436714631.db2.gz QIQVNGYKTDDWFI-FZMZJTMJSA-N 1 1 325.434 0.712 50 0 ECAAMO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000237081262 436722705 /nfs/dbraw/zinc/72/27/05/436722705.db2.gz DYTKHHJGEKRLKA-NSHDSACASA-N 1 1 332.447 0.463 50 0 ECAAMO CCN(C(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C1CC1 ZINC000229306436 436715483 /nfs/dbraw/zinc/71/54/83/436715483.db2.gz BNXUKWONGCVBRO-PBHICJAKSA-N 1 1 336.480 0.482 50 0 ECAAMO Cc1cc(CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc(C)n1 ZINC000230570646 436717002 /nfs/dbraw/zinc/71/70/02/436717002.db2.gz ODMAWURAEZTHQT-HNNXBMFYSA-N 1 1 339.461 0.824 50 0 ECAAMO Cc1cc(CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc(C)n1 ZINC000230570646 436717004 /nfs/dbraw/zinc/71/70/04/436717004.db2.gz ODMAWURAEZTHQT-HNNXBMFYSA-N 1 1 339.461 0.824 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229828836 436717401 /nfs/dbraw/zinc/71/74/01/436717401.db2.gz GKGOOTODVIHGNC-HOCLYGCPSA-N 1 1 345.509 0.296 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229828836 436717405 /nfs/dbraw/zinc/71/74/05/436717405.db2.gz GKGOOTODVIHGNC-HOCLYGCPSA-N 1 1 345.509 0.296 50 0 ECAAMO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCOCC2)c1)Nc1ccccn1 ZINC000069442792 436773011 /nfs/dbraw/zinc/77/30/11/436773011.db2.gz FTILEHYWLFXYSU-AWEZNQCLSA-N 1 1 346.391 0.615 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069517733 436778352 /nfs/dbraw/zinc/77/83/52/436778352.db2.gz RCCLQVGRYYQGBW-MCIONIFRSA-N 1 1 346.497 0.186 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069517733 436778354 /nfs/dbraw/zinc/77/83/54/436778354.db2.gz RCCLQVGRYYQGBW-MCIONIFRSA-N 1 1 346.497 0.186 50 0 ECAAMO COCCCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247220475 436790438 /nfs/dbraw/zinc/79/04/38/436790438.db2.gz QLJSGGSQWRKXTR-GJZGRUSLSA-N 1 1 335.452 0.918 50 0 ECAAMO CN(C)c1ncnc2c1C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000253370793 436840177 /nfs/dbraw/zinc/84/01/77/436840177.db2.gz WFWOAGFWRHIQRC-ZIAGYGMSSA-N 1 1 336.436 0.457 50 0 ECAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000253370793 436840183 /nfs/dbraw/zinc/84/01/83/436840183.db2.gz WFWOAGFWRHIQRC-ZIAGYGMSSA-N 1 1 336.436 0.457 50 0 ECAAMO C[C@H](NC(=O)CN1CCOCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279784305 436840394 /nfs/dbraw/zinc/84/03/94/436840394.db2.gz HSAHDKIYRZGSSP-RDJZCZTQSA-N 1 1 345.443 0.872 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2c(F)cccc2F)CC1 ZINC000257190037 436857933 /nfs/dbraw/zinc/85/79/33/436857933.db2.gz OIEMCQLFTNJPFV-WBMJQRKESA-N 1 1 339.386 0.850 50 0 ECAAMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)cc1 ZINC000257194718 436859739 /nfs/dbraw/zinc/85/97/39/436859739.db2.gz UOHJULHMZVQLTA-WMLDXEAASA-N 1 1 334.416 0.897 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252474314 436832723 /nfs/dbraw/zinc/83/27/23/436832723.db2.gz AUDGEQSLMUPVLK-TXTZMMAHSA-N 1 1 343.512 0.234 50 0 ECAAMO CC[C@@H]1CN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252474314 436832724 /nfs/dbraw/zinc/83/27/24/436832724.db2.gz AUDGEQSLMUPVLK-TXTZMMAHSA-N 1 1 343.512 0.234 50 0 ECAAMO Cc1csc(CN(C)C(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000252480505 436834467 /nfs/dbraw/zinc/83/44/67/436834467.db2.gz CBEBPFTXNFDGGT-LBPRGKRZSA-N 1 1 345.490 0.919 50 0 ECAAMO Cc1csc(CN(C)C(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000252480505 436834473 /nfs/dbraw/zinc/83/44/73/436834473.db2.gz CBEBPFTXNFDGGT-LBPRGKRZSA-N 1 1 345.490 0.919 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2C)CC1 ZINC000257366088 436877529 /nfs/dbraw/zinc/87/75/29/436877529.db2.gz IMIWBHWFVALGMX-BPQIPLTHSA-N 1 1 349.479 0.119 50 0 ECAAMO Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[nH+]c1 ZINC000172363072 437012848 /nfs/dbraw/zinc/01/28/48/437012848.db2.gz LUPQSIYDPWZFFZ-ZDUSSCGKSA-N 1 1 340.449 0.732 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N(C)CCc1ncon1 ZINC000426374474 438054524 /nfs/dbraw/zinc/05/45/24/438054524.db2.gz ZPFISQSRFGFUEV-UHFFFAOYSA-N 1 1 345.407 0.235 50 0 ECAAMO OCCNc1nc(NC2Cc3ccccc3C2)cc([C@H]2CCOC2)[nH+]1 ZINC000426425444 438055745 /nfs/dbraw/zinc/05/57/45/438055745.db2.gz ODZOHWTZVNOVNY-HNNXBMFYSA-N 1 1 340.427 0.808 50 0 ECAAMO C[C@H](C(=O)NCc1csc(-c2cnccn2)n1)N1CC[NH+](C)CC1 ZINC000426509364 438062264 /nfs/dbraw/zinc/06/22/64/438062264.db2.gz KVIWNWIGVZITRQ-GFCCVEGCSA-N 1 1 346.460 0.852 50 0 ECAAMO OC1CN(c2nc(NCC3(O)CCCCC3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426701449 438070542 /nfs/dbraw/zinc/07/05/42/438070542.db2.gz PNNALLIIZVUCRP-CYBMUJFWSA-N 1 1 348.447 1.269 50 0 ECAAMO Cc1nn2cc(CN=c3cc([C@@H]4CCOC4)[nH+]c(N)[nH]3)nc2s1 ZINC000426667306 438071261 /nfs/dbraw/zinc/07/12/61/438071261.db2.gz DMQXWMMXYWVBQI-SECBINFHSA-N 1 1 331.405 1.009 50 0 ECAAMO Cc1nc2c([nH]1)CN(C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1)CC2 ZINC000426701383 438071411 /nfs/dbraw/zinc/07/14/11/438071411.db2.gz IEKVSTNGXDJMKS-CYBMUJFWSA-N 1 1 328.420 0.967 50 0 ECAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1 ZINC000426658375 438071787 /nfs/dbraw/zinc/07/17/87/438071787.db2.gz MTQOVIRJQSRGLW-HZPDHXFCSA-N 1 1 349.431 0.257 50 0 ECAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1 ZINC000426658375 438071789 /nfs/dbraw/zinc/07/17/89/438071789.db2.gz MTQOVIRJQSRGLW-HZPDHXFCSA-N 1 1 349.431 0.257 50 0 ECAAMO CNC(=O)[C@H]1C[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1 ZINC000390834552 438436794 /nfs/dbraw/zinc/43/67/94/438436794.db2.gz CGXGKRZVVOIJNQ-WBMJQRKESA-N 1 1 345.440 0.051 50 0 ECAAMO CNC(=O)[C@H]1C[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1 ZINC000390834552 438436800 /nfs/dbraw/zinc/43/68/00/438436800.db2.gz CGXGKRZVVOIJNQ-WBMJQRKESA-N 1 1 345.440 0.051 50 0 ECAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCn2cncn2)CC1 ZINC000534663462 439530728 /nfs/dbraw/zinc/53/07/28/439530728.db2.gz CUPKOGFGJWDWFD-INIZCTEOSA-N 1 1 349.483 0.480 50 0 ECAAMO CCOCC1(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)CCC1 ZINC000534650456 439532360 /nfs/dbraw/zinc/53/23/60/439532360.db2.gz FNPPOHLONIAVDN-AWEZNQCLSA-N 1 1 325.453 0.908 50 0 ECAAMO CCOCC1(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)CCC1 ZINC000534650456 439532366 /nfs/dbraw/zinc/53/23/66/439532366.db2.gz FNPPOHLONIAVDN-AWEZNQCLSA-N 1 1 325.453 0.908 50 0 ECAAMO C[C@H](CCNc1cc(C(=O)NC2CC2)ccn1)N1CC[NH+](C)CC1 ZINC000584893024 439624697 /nfs/dbraw/zinc/62/46/97/439624697.db2.gz DMLMVAILLFJMEH-CQSZACIVSA-N 1 1 331.464 1.412 50 0 ECAAMO O=C(CCc1ccc(O)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091350800 518198415 /nfs/dbraw/zinc/19/84/15/518198415.db2.gz CYTAFXSPFWRHSI-IAGOWNOFSA-N 1 1 348.443 0.724 50 0 ECAAMO CC(C)n1cnc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000328586549 520039812 /nfs/dbraw/zinc/03/98/12/520039812.db2.gz CSGSLAMVIMZODF-OAHLLOKOSA-N 1 1 333.436 0.843 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000084304095 545710207 /nfs/dbraw/zinc/71/02/07/545710207.db2.gz UVMJKGOCSSOMJI-HNNXBMFYSA-N 1 1 346.479 0.819 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000084735697 545712609 /nfs/dbraw/zinc/71/26/09/545712609.db2.gz ANRKRRBGMMWSHX-BRWVUGGUSA-N 1 1 349.475 0.814 50 0 ECAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000329498486 546026030 /nfs/dbraw/zinc/02/60/30/546026030.db2.gz GUVXONYFSUIMHQ-LSDHHAIUSA-N 1 1 325.453 0.957 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000670465066 548017269 /nfs/dbraw/zinc/01/72/69/548017269.db2.gz FFPRUGPPZMUHIL-INIZCTEOSA-N 1 1 339.461 0.643 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccco2)CC[C@@H]1c1nnc(C)[nH]1 ZINC000169782915 609746784 /nfs/dbraw/zinc/74/67/84/609746784.db2.gz FOLRRTAYYQHOAG-UONOGXRCSA-N 1 1 333.392 0.827 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccco2)CC[C@@H]1c1nnc(C)[nH]1 ZINC000169782915 609746787 /nfs/dbraw/zinc/74/67/87/609746787.db2.gz FOLRRTAYYQHOAG-UONOGXRCSA-N 1 1 333.392 0.827 50 0 ECAAMO COCc1noc([C@@H]2C[N@@H+](Cc3cnn(C(C)C)c3)C[C@H]2C(N)=O)n1 ZINC000169791207 609747281 /nfs/dbraw/zinc/74/72/81/609747281.db2.gz WGFSDMCBRHDVDR-CHWSQXEVSA-N 1 1 348.407 0.694 50 0 ECAAMO Cc1cccc2[nH]c(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc21 ZINC000952973998 612139397 /nfs/dbraw/zinc/13/93/97/612139397.db2.gz SKVZMMOADIKTCN-LBPRGKRZSA-N 1 1 329.404 0.685 50 0 ECAAMO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)[nH]c21 ZINC000952973998 612139398 /nfs/dbraw/zinc/13/93/98/612139398.db2.gz SKVZMMOADIKTCN-LBPRGKRZSA-N 1 1 329.404 0.685 50 0 ECAAMO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)[nH]c21 ZINC000952973998 612139399 /nfs/dbraw/zinc/13/93/99/612139399.db2.gz SKVZMMOADIKTCN-LBPRGKRZSA-N 1 1 329.404 0.685 50 0 ECAAMO CN1CCN(S(=O)(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000952980335 612139791 /nfs/dbraw/zinc/13/97/91/612139791.db2.gz WVWWZQACLZGNNQ-UHFFFAOYSA-N 1 1 330.498 0.429 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000051055641 214076148 /nfs/dbraw/zinc/07/61/48/214076148.db2.gz XYATYIRLZBTZDU-QWHCGFSZSA-N 1 1 326.441 0.849 50 0 ECAAMO O=C(c1ccoc1)N1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H](O)C1 ZINC000097653987 219044532 /nfs/dbraw/zinc/04/45/32/219044532.db2.gz PQSVVUOOYBSJBI-GFCCVEGCSA-N 1 1 327.344 0.874 50 0 ECAAMO O=C(C[NH+]1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1)NC1CC1 ZINC000053479892 214184846 /nfs/dbraw/zinc/18/48/46/214184846.db2.gz AGVQTNHCUDVJMQ-UHFFFAOYSA-N 1 1 331.420 0.760 50 0 ECAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)c1cnc(C2CC2)[nH]c1=O ZINC000097823364 219058355 /nfs/dbraw/zinc/05/83/55/219058355.db2.gz LCPUBWDOEJANSW-ZDUSSCGKSA-N 1 1 334.420 0.614 50 0 ECAAMO CCC(CC)[C@H](C(=O)NC1CN(C(=O)OC)C1)[NH+]1CCOCC1 ZINC000170680548 282253404 /nfs/dbraw/zinc/25/34/04/282253404.db2.gz MTLDYCQXIXUZCD-CQSZACIVSA-N 1 1 327.425 0.690 50 0 ECAAMO Cn1ncc(Cl)c1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000187421082 530055827 /nfs/dbraw/zinc/05/58/27/530055827.db2.gz MPMDLFHQASISMH-CYBMUJFWSA-N 1 1 325.844 0.812 50 0 ECAAMO C[C@H]1C[NH+](CC2CCN(CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017217 215352664 /nfs/dbraw/zinc/35/26/64/215352664.db2.gz XUIJTJGLSKCONL-KBPBESRZSA-N 1 1 338.452 0.359 50 0 ECAAMO CC[C@@](C)(CNC(=O)c1ccccc1-n1cnnn1)[NH+]1CCOCC1 ZINC000040538998 213342541 /nfs/dbraw/zinc/34/25/41/213342541.db2.gz OIROAGKGDXZJSJ-KRWDZBQOSA-N 1 1 344.419 0.893 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000040534297 213339972 /nfs/dbraw/zinc/33/99/72/213339972.db2.gz QZIIWEHWBQCUQI-CYBMUJFWSA-N 1 1 329.404 0.640 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000069652179 215513480 /nfs/dbraw/zinc/51/34/80/215513480.db2.gz FGPSEPMQIGVOCH-HNNXBMFYSA-N 1 1 330.432 0.621 50 0 ECAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000183392871 283096453 /nfs/dbraw/zinc/09/64/53/283096453.db2.gz HNFNEKDEVZYKPK-HUUCEWRRSA-N 1 1 343.493 0.937 50 0 ECAAMO COc1cccc([C@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)c1 ZINC000069928510 215636151 /nfs/dbraw/zinc/63/61/51/215636151.db2.gz BMVZSAWXJYBSMD-GOSISDBHSA-N 1 1 347.459 0.969 50 0 ECAAMO Cc1oc2ncn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1C ZINC000035378341 213024749 /nfs/dbraw/zinc/02/47/49/213024749.db2.gz RRVCMWZZQHTLSU-UHFFFAOYSA-N 1 1 348.403 0.445 50 0 ECAAMO Cc1ccc([C@H](C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)[NH+](C)C)cc1 ZINC000072129532 216021240 /nfs/dbraw/zinc/02/12/40/216021240.db2.gz MBEPUHWTRBHEJJ-OAHLLOKOSA-N 1 1 341.415 0.848 50 0 ECAAMO O=C(CCOc1ccccc1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072135467 216024962 /nfs/dbraw/zinc/02/49/62/216024962.db2.gz IFHYYAVCFMFLTA-INIZCTEOSA-N 1 1 347.415 0.115 50 0 ECAAMO Cc1cccc2nc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)cn21 ZINC000072157136 216047469 /nfs/dbraw/zinc/04/74/69/216047469.db2.gz PKFPUPGGPYVWJC-CQSZACIVSA-N 1 1 327.388 0.335 50 0 ECAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C[C@H](C)O1 ZINC000072430692 216223120 /nfs/dbraw/zinc/22/31/20/216223120.db2.gz PMZGVIZPESVVPK-BETUJISGSA-N 1 1 334.420 0.494 50 0 ECAAMO Cn1c2ccc(CNC(=O)[C@H]3[NH2+]CCc4nc[nH]c43)cc2n(C)c1=O ZINC000072456999 216242443 /nfs/dbraw/zinc/24/24/43/216242443.db2.gz WLPBMCNGMLBSSZ-HNNXBMFYSA-N 1 1 340.387 0.103 50 0 ECAAMO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]21 ZINC000072479639 216259110 /nfs/dbraw/zinc/25/91/10/216259110.db2.gz PYQQLVPSIYEZAG-SWLSCSKDSA-N 1 1 331.420 0.699 50 0 ECAAMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccc2c(c1)OCCO2 ZINC000022945135 212340002 /nfs/dbraw/zinc/34/00/02/212340002.db2.gz BPDJWYOWHPHZDG-UHFFFAOYSA-N 1 1 335.404 0.396 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000022938054 212338133 /nfs/dbraw/zinc/33/81/33/212338133.db2.gz PICQTYWFJZKEMW-INIZCTEOSA-N 1 1 332.448 0.927 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229548435 242174691 /nfs/dbraw/zinc/17/46/91/242174691.db2.gz PGWYCFUUUPEOLO-MWDXBVQZSA-N 1 1 341.496 0.645 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229548435 242174697 /nfs/dbraw/zinc/17/46/97/242174697.db2.gz PGWYCFUUUPEOLO-MWDXBVQZSA-N 1 1 341.496 0.645 50 0 ECAAMO COCCN(CCOC)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229697456 242191683 /nfs/dbraw/zinc/19/16/83/242191683.db2.gz IEKABXQQCKAINR-KBPBESRZSA-N 1 1 335.470 0.042 50 0 ECAAMO C[C@@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229810559 242200659 /nfs/dbraw/zinc/20/06/59/242200659.db2.gz WXJRGYMMXKZRTN-RDBSUJKOSA-N 1 1 331.482 0.935 50 0 ECAAMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000020861936 212177994 /nfs/dbraw/zinc/17/79/94/212177994.db2.gz DCJJUCJAAXLXGT-CQSZACIVSA-N 1 1 335.408 0.470 50 0 ECAAMO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000020861936 212178000 /nfs/dbraw/zinc/17/80/00/212178000.db2.gz DCJJUCJAAXLXGT-CQSZACIVSA-N 1 1 335.408 0.470 50 0 ECAAMO c1ccc(N2CCN(CCN3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574860 243040438 /nfs/dbraw/zinc/04/04/38/243040438.db2.gz CSKARBPCSUTODP-HXUWFJFHSA-N 1 1 343.519 0.788 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(=O)[nH]1 ZINC000253536610 244012466 /nfs/dbraw/zinc/01/24/66/244012466.db2.gz YBWQHRZPABNVAH-LBPRGKRZSA-N 1 1 331.376 0.633 50 0 ECAAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000020075745 212099288 /nfs/dbraw/zinc/09/92/88/212099288.db2.gz WVOVXOKSWGSNJR-AWEZNQCLSA-N 1 1 337.807 0.582 50 0 ECAAMO COc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019589953 212048039 /nfs/dbraw/zinc/04/80/39/212048039.db2.gz FVBIWGCMRCFHJH-AWEZNQCLSA-N 1 1 345.403 0.126 50 0 ECAAMO OCC[NH+]1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019363148 212020786 /nfs/dbraw/zinc/02/07/86/212020786.db2.gz LJHZZYGODNYHLD-MRXNPFEDSA-N 1 1 328.840 0.827 50 0 ECAAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019335204 212017713 /nfs/dbraw/zinc/01/77/13/212017713.db2.gz GGZIWLKMMLUOAZ-CQSZACIVSA-N 1 1 337.807 0.582 50 0 ECAAMO COc1cc[nH+]c(N2CCN(CC(=O)NCc3cccnc3)CC2)c1 ZINC000078922679 217149584 /nfs/dbraw/zinc/14/95/84/217149584.db2.gz YZKAOHRCZYXXKY-UHFFFAOYSA-N 1 1 341.415 0.924 50 0 ECAAMO NC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000080511772 217309802 /nfs/dbraw/zinc/30/98/02/217309802.db2.gz WAVZSKHEVNFAMP-INIZCTEOSA-N 1 1 330.432 0.916 50 0 ECAAMO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1cccs1 ZINC000012391981 211367679 /nfs/dbraw/zinc/36/76/79/211367679.db2.gz WAHRQWIOTVAUNZ-NEPJUHHUSA-N 1 1 337.401 0.787 50 0 ECAAMO CN(C)S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197392 211317605 /nfs/dbraw/zinc/31/76/05/211317605.db2.gz JITBBBSQFSAZSU-ZDUSSCGKSA-N 1 1 341.433 0.948 50 0 ECAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)NCc1ccco1 ZINC000091434071 218004999 /nfs/dbraw/zinc/00/49/99/218004999.db2.gz PFMHQEATIZRLNK-QGZVFWFLSA-N 1 1 335.404 0.203 50 0 ECAAMO Cc1nnc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000091664439 218042824 /nfs/dbraw/zinc/04/28/24/218042824.db2.gz ROABPLMMOFTNBG-HNNXBMFYSA-N 1 1 339.465 0.342 50 0 ECAAMO COCCN1CC[C@]2(CN(c3nccc(N)n3)CC[N@H+]2C)CCC1=O ZINC000091860552 218080113 /nfs/dbraw/zinc/08/01/13/218080113.db2.gz UORIELSYJHPDDL-KRWDZBQOSA-N 1 1 348.451 0.208 50 0 ECAAMO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1ccncc1)C2)NCCO ZINC000091965245 218095811 /nfs/dbraw/zinc/09/58/11/218095811.db2.gz VCXGZOUXNNWLBR-UHFFFAOYSA-N 1 1 343.431 0.725 50 0 ECAAMO O=C(CCc1cc2n(n1)CCC[N@@H+](Cc1ccncc1)C2)NCCO ZINC000091965245 218095812 /nfs/dbraw/zinc/09/58/12/218095812.db2.gz VCXGZOUXNNWLBR-UHFFFAOYSA-N 1 1 343.431 0.725 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(c2nc(-c3ccccc3)no2)C[C@@H]1CO ZINC000092077281 218115565 /nfs/dbraw/zinc/11/55/65/218115565.db2.gz FEHOONKEWKGRNL-HUUCEWRRSA-N 1 1 332.404 0.705 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(c2ncnc3c2CCC3)C1 ZINC000092081253 218117264 /nfs/dbraw/zinc/11/72/64/218117264.db2.gz IONZCWRDOPMQFP-CABCVRRESA-N 1 1 334.464 0.978 50 0 ECAAMO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)cc1 ZINC000092081415 218117489 /nfs/dbraw/zinc/11/74/89/218117489.db2.gz ZMQXORIRJOUPJJ-IAGOWNOFSA-N 1 1 349.475 0.869 50 0 ECAAMO COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1 ZINC000092081415 218117492 /nfs/dbraw/zinc/11/74/92/218117492.db2.gz ZMQXORIRJOUPJJ-IAGOWNOFSA-N 1 1 349.475 0.869 50 0 ECAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCCO)n(C)c1=O ZINC000009060244 211036726 /nfs/dbraw/zinc/03/67/26/211036726.db2.gz NVOYMDUZCDXRRF-SNAWJCMRSA-N 1 1 346.391 0.051 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000095373348 218306169 /nfs/dbraw/zinc/30/61/69/218306169.db2.gz RMAOAFKZMATOOK-ZIAGYGMSSA-N 1 1 326.466 0.347 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000095373348 218306172 /nfs/dbraw/zinc/30/61/72/218306172.db2.gz RMAOAFKZMATOOK-ZIAGYGMSSA-N 1 1 326.466 0.347 50 0 ECAAMO CC(=O)N1CCOC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000095449069 218392943 /nfs/dbraw/zinc/39/29/43/218392943.db2.gz OLKHHBFVWJNUNF-HOCLYGCPSA-N 1 1 325.453 0.862 50 0 ECAAMO CC[NH+]1CCN(C(=S)c2ccc(OCC(N)=O)c(OC)c2)CC1 ZINC000004840331 210294273 /nfs/dbraw/zinc/29/42/73/210294273.db2.gz OWDRSZCUJQLMKJ-UHFFFAOYSA-N 1 1 337.445 0.872 50 0 ECAAMO O=C([C@@H]1CCC(=O)NC(=O)N1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097492514 219029619 /nfs/dbraw/zinc/02/96/19/219029619.db2.gz DXNLPPNJDVONJI-HNNXBMFYSA-N 1 1 344.415 0.362 50 0 ECAAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2cnc(SC)[nH]c2=O)C1 ZINC000299798197 258102672 /nfs/dbraw/zinc/10/26/72/258102672.db2.gz REHYASZNBQATLB-LLVKDONJSA-N 1 1 340.449 0.944 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000299759487 258076773 /nfs/dbraw/zinc/07/67/73/258076773.db2.gz SKOSEVYODLHPLZ-OAHLLOKOSA-N 1 1 332.452 0.199 50 0 ECAAMO CC1=[NH+]N(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000004316613 273597881 /nfs/dbraw/zinc/59/78/81/273597881.db2.gz AYWSPLDTWJBADS-UHFFFAOYSA-N 1 1 338.371 0.830 50 0 ECAAMO CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000069895623 435974018 /nfs/dbraw/zinc/97/40/18/435974018.db2.gz KLVNGCDZQWLTJI-SJORKVTESA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000069895623 435974026 /nfs/dbraw/zinc/97/40/26/435974026.db2.gz KLVNGCDZQWLTJI-SJORKVTESA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C[C@H](O)Cn1cccn1 ZINC000069895623 435974032 /nfs/dbraw/zinc/97/40/32/435974032.db2.gz KLVNGCDZQWLTJI-SJORKVTESA-N 1 1 332.452 0.537 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000069922817 435976152 /nfs/dbraw/zinc/97/61/52/435976152.db2.gz XLAPZZCGOXTJJA-HUUCEWRRSA-N 1 1 337.439 0.871 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000070005733 435982332 /nfs/dbraw/zinc/98/23/32/435982332.db2.gz HRLKRMVLUYTSAK-KRWDZBQOSA-N 1 1 347.463 0.655 50 0 ECAAMO C[C@H](O)CN1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000070037025 435984176 /nfs/dbraw/zinc/98/41/76/435984176.db2.gz AHISNTMKSFZAHV-GOEBONIOSA-N 1 1 326.412 0.702 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000070040029 435985909 /nfs/dbraw/zinc/98/59/09/435985909.db2.gz FKXROQQDYPTNBX-LLVKDONJSA-N 1 1 334.342 0.817 50 0 ECAAMO O=C(CN1CCOCC1)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000070040334 435986199 /nfs/dbraw/zinc/98/61/99/435986199.db2.gz IUOXBWDUNYETGE-UHFFFAOYSA-N 1 1 347.459 0.932 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000069620190 435952242 /nfs/dbraw/zinc/95/22/42/435952242.db2.gz ATXKEFGGZHRDBA-HNNXBMFYSA-N 1 1 332.514 0.675 50 0 ECAAMO C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CC[NH+](CCO)CC1 ZINC000069631799 435953026 /nfs/dbraw/zinc/95/30/26/435953026.db2.gz BRUZSHPINCHOQP-ZDUSSCGKSA-N 1 1 341.402 0.622 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069652503 435954883 /nfs/dbraw/zinc/95/48/83/435954883.db2.gz NSXUXFURZUWNMU-CVEARBPZSA-N 1 1 327.469 0.308 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000069655079 435955153 /nfs/dbraw/zinc/95/51/53/435955153.db2.gz VHVBVKTVFOLRGL-DZGCQCFKSA-N 1 1 346.435 0.883 50 0 ECAAMO O=C(CN1CCC[C@@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662269 435956286 /nfs/dbraw/zinc/95/62/86/435956286.db2.gz COACQWWJGJQCHU-OAHLLOKOSA-N 1 1 346.479 0.733 50 0 ECAAMO Cc1cc(C2CCC2)nc(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000071405754 436007636 /nfs/dbraw/zinc/00/76/36/436007636.db2.gz GMWDAYOSXRYKOL-IRXDYDNUSA-N 1 1 331.464 0.849 50 0 ECAAMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071830564 436015576 /nfs/dbraw/zinc/01/55/76/436015576.db2.gz VJNRGEHHDRYWIN-AWEZNQCLSA-N 1 1 327.388 0.684 50 0 ECAAMO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071830564 436015581 /nfs/dbraw/zinc/01/55/81/436015581.db2.gz VJNRGEHHDRYWIN-AWEZNQCLSA-N 1 1 327.388 0.684 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C ZINC000071864178 436017572 /nfs/dbraw/zinc/01/75/72/436017572.db2.gz IBTAJOPBWPDSQF-ZIAGYGMSSA-N 1 1 346.431 0.359 50 0 ECAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000071870586 436020849 /nfs/dbraw/zinc/02/08/49/436020849.db2.gz ZFWVDAPOHPKMSH-KBPBESRZSA-N 1 1 340.449 0.779 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CNCc2nnnn2-c2ccccc2)CC1 ZINC000071870979 436020936 /nfs/dbraw/zinc/02/09/36/436020936.db2.gz WFQDFKCWSQUHIG-CQSZACIVSA-N 1 1 330.436 0.845 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)CC1 ZINC000071881819 436024492 /nfs/dbraw/zinc/02/44/92/436024492.db2.gz VYQFFKBANWQUTC-OLZOCXBDSA-N 1 1 347.415 0.935 50 0 ECAAMO C[N@H+](CCCS(N)(=O)=O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000071900657 436027186 /nfs/dbraw/zinc/02/71/86/436027186.db2.gz GKTICFYKSFFRMQ-CYBMUJFWSA-N 1 1 329.397 0.541 50 0 ECAAMO C[N@@H+](CCCS(N)(=O)=O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000071900657 436027193 /nfs/dbraw/zinc/02/71/93/436027193.db2.gz GKTICFYKSFFRMQ-CYBMUJFWSA-N 1 1 329.397 0.541 50 0 ECAAMO C[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000072290753 436041522 /nfs/dbraw/zinc/04/15/22/436041522.db2.gz AFBKMQQKKQIQTL-SGTLLEGYSA-N 1 1 342.399 0.244 50 0 ECAAMO C[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000072290753 436041527 /nfs/dbraw/zinc/04/15/27/436041527.db2.gz AFBKMQQKKQIQTL-SGTLLEGYSA-N 1 1 342.399 0.244 50 0 ECAAMO C[C@@]1([C@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)NC(=O)NC1=O ZINC000072300756 436042450 /nfs/dbraw/zinc/04/24/50/436042450.db2.gz XZAMPZOTPNOSNE-GUYCJALGSA-N 1 1 336.436 0.699 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000018250482 436105200 /nfs/dbraw/zinc/10/52/00/436105200.db2.gz GKKDWHDTXCXDBB-OAHLLOKOSA-N 1 1 345.399 0.915 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423862 436149995 /nfs/dbraw/zinc/14/99/95/436149995.db2.gz OONUVEXOJNOPEP-HZPDHXFCSA-N 1 1 344.459 0.921 50 0 ECAAMO Cc1cccc(N2CCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)c1 ZINC000022817634 436122112 /nfs/dbraw/zinc/12/21/12/436122112.db2.gz WJIXOTALXGNLRI-UHFFFAOYSA-N 1 1 346.475 0.254 50 0 ECAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000077488043 436239852 /nfs/dbraw/zinc/23/98/52/436239852.db2.gz JNAGWXUFKPRMPR-ZDUSSCGKSA-N 1 1 345.403 0.060 50 0 ECAAMO O=C(NCC[NH2+]C[C@@]1(O)CNCCOC1)c1ccccc1Cl ZINC000077505760 436241309 /nfs/dbraw/zinc/24/13/09/436241309.db2.gz OQVIXGBZGZORFF-OAHLLOKOSA-N 1 1 327.812 0.010 50 0 ECAAMO CN1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000076058767 436188352 /nfs/dbraw/zinc/18/83/52/436188352.db2.gz WRBZXPVECXJDNP-SJCJKPOMSA-N 1 1 348.403 0.548 50 0 ECAAMO CC(=O)N1CC[NH+]([C@@H]2CN(CC(=O)Nc3cc(C)no3)C[C@H]2C)CC1 ZINC000076055630 436188720 /nfs/dbraw/zinc/18/87/20/436188720.db2.gz FJZCTKRCYOCPMF-IUODEOHRSA-N 1 1 349.435 0.406 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC000076055439 436189938 /nfs/dbraw/zinc/18/99/38/436189938.db2.gz XPDYTOILWRYMEF-KDOFPFPSSA-N 1 1 344.459 0.770 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC3(CN(C)C(=O)O3)CC2)C1 ZINC000077287819 436230863 /nfs/dbraw/zinc/23/08/63/436230863.db2.gz VMUIZZCIYQAXCW-CQSZACIVSA-N 1 1 339.436 0.929 50 0 ECAAMO CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000078806724 436278022 /nfs/dbraw/zinc/27/80/22/436278022.db2.gz KYKSKJZWWKPLCC-CYBMUJFWSA-N 1 1 338.495 0.311 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502379 436305324 /nfs/dbraw/zinc/30/53/24/436305324.db2.gz XYRDYQUAEDDOPA-OCCSQVGLSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502379 436305329 /nfs/dbraw/zinc/30/53/29/436305329.db2.gz XYRDYQUAEDDOPA-OCCSQVGLSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502385 436307275 /nfs/dbraw/zinc/30/72/75/436307275.db2.gz XYRDYQUAEDDOPA-TZMCWYRMSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502385 436307280 /nfs/dbraw/zinc/30/72/80/436307280.db2.gz XYRDYQUAEDDOPA-TZMCWYRMSA-N 1 1 347.415 0.960 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000044918463 436353756 /nfs/dbraw/zinc/35/37/56/436353756.db2.gz QDUQOTRZNUHGEV-UHFFFAOYSA-N 1 1 327.388 0.552 50 0 ECAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)c3c[nH]c(=O)cn3)cc2C1 ZINC000082096474 436362313 /nfs/dbraw/zinc/36/23/13/436362313.db2.gz XDKQRSVTMUQJOY-UHFFFAOYSA-N 1 1 330.392 0.780 50 0 ECAAMO CCn1nc(C)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1C ZINC000083836709 436376867 /nfs/dbraw/zinc/37/68/67/436376867.db2.gz VGYGJPLJOHITCZ-UHFFFAOYSA-N 1 1 337.424 0.297 50 0 ECAAMO CC[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735851 436384291 /nfs/dbraw/zinc/38/42/91/436384291.db2.gz KSGDTLNVTRVGQH-CVEARBPZSA-N 1 1 337.464 0.958 50 0 ECAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046140810 436387316 /nfs/dbraw/zinc/38/73/16/436387316.db2.gz HZMAGOWQKDGAKQ-UHFFFAOYSA-N 1 1 339.461 0.772 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000085877555 436391619 /nfs/dbraw/zinc/39/16/19/436391619.db2.gz LEOJEJLWOHUBQG-ZFWWWQNUSA-N 1 1 347.390 0.693 50 0 ECAAMO COCCn1nc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)ccc1=O ZINC000044941613 436356079 /nfs/dbraw/zinc/35/60/79/436356079.db2.gz XYGWYJFJIFDPFX-AWEZNQCLSA-N 1 1 336.436 0.742 50 0 ECAAMO O=C(NCCc1cccnc1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967819 436356634 /nfs/dbraw/zinc/35/66/34/436356634.db2.gz VJMFWGJRKLZGQF-IRXDYDNUSA-N 1 1 348.447 0.661 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COCc2ccccc2Cl)CC1 ZINC000045056841 436359889 /nfs/dbraw/zinc/35/98/89/436359889.db2.gz BIBMVJLELCXFQA-UHFFFAOYSA-N 1 1 339.823 0.923 50 0 ECAAMO NC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000048038262 436439606 /nfs/dbraw/zinc/43/96/06/436439606.db2.gz PFLAANFMDQIXEK-NSHDSACASA-N 1 1 333.417 0.739 50 0 ECAAMO NC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000048038262 436439610 /nfs/dbraw/zinc/43/96/10/436439610.db2.gz PFLAANFMDQIXEK-NSHDSACASA-N 1 1 333.417 0.739 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048093158 436440477 /nfs/dbraw/zinc/44/04/77/436440477.db2.gz GGEHXMHTYHJTDE-KBPBESRZSA-N 1 1 347.481 0.077 50 0 ECAAMO COc1cccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000091325456 436448324 /nfs/dbraw/zinc/44/83/24/436448324.db2.gz CLHRSZZPFYZDHS-IAGOWNOFSA-N 1 1 348.443 0.637 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 ZINC000048310482 436449780 /nfs/dbraw/zinc/44/97/80/436449780.db2.gz FUDUMPKLFVNAEP-LBPRGKRZSA-N 1 1 325.434 0.796 50 0 ECAAMO Cc1nc(CC2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)no1 ZINC000091643655 436456477 /nfs/dbraw/zinc/45/64/77/436456477.db2.gz QCMCJAMPGKHKMG-CQSZACIVSA-N 1 1 349.435 0.356 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089718301 436415122 /nfs/dbraw/zinc/41/51/22/436415122.db2.gz OZTNDIXEYWBYFR-GJZGRUSLSA-N 1 1 348.407 0.058 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C[NH+]1CCOCC1 ZINC000089900799 436419012 /nfs/dbraw/zinc/41/90/12/436419012.db2.gz OHQWEIFLGJHFEB-JKSUJKDBSA-N 1 1 349.479 0.962 50 0 ECAAMO COCCOc1cccc(CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089939091 436422093 /nfs/dbraw/zinc/42/20/93/436422093.db2.gz LWYOBUCDLDTZHD-HNNXBMFYSA-N 1 1 335.448 0.964 50 0 ECAAMO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](CCCn1cnnn1)C2 ZINC000096150608 436517111 /nfs/dbraw/zinc/51/71/11/436517111.db2.gz KSHJIWQNVYDTPJ-YOEHRIQHSA-N 1 1 348.451 0.714 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCCn3cnnn3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096150608 436517116 /nfs/dbraw/zinc/51/71/16/436517116.db2.gz KSHJIWQNVYDTPJ-YOEHRIQHSA-N 1 1 348.451 0.714 50 0 ECAAMO O=C([O-])[C@]12C[NH+](CCCn3cnnn3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096150608 436517118 /nfs/dbraw/zinc/51/71/18/436517118.db2.gz KSHJIWQNVYDTPJ-YOEHRIQHSA-N 1 1 348.451 0.714 50 0 ECAAMO Cc1nncn1CC[N@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096179948 436518859 /nfs/dbraw/zinc/51/88/59/436518859.db2.gz BVZICYLEJKIQMR-YOEHRIQHSA-N 1 1 349.435 0.084 50 0 ECAAMO Cc1nncn1CC[NH+]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096179948 436518862 /nfs/dbraw/zinc/51/88/62/436518862.db2.gz BVZICYLEJKIQMR-YOEHRIQHSA-N 1 1 349.435 0.084 50 0 ECAAMO Cc1nncn1CC[NH+]1C[C@H]2C[N@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096179948 436518865 /nfs/dbraw/zinc/51/88/65/436518865.db2.gz BVZICYLEJKIQMR-YOEHRIQHSA-N 1 1 349.435 0.084 50 0 ECAAMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000096424724 436532417 /nfs/dbraw/zinc/53/24/17/436532417.db2.gz QQAYDHIXLDYJGA-DOTOQJQBSA-N 1 1 332.448 0.744 50 0 ECAAMO CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000097002161 436535587 /nfs/dbraw/zinc/53/55/87/436535587.db2.gz OQNLCHPTPWWJAG-WVZRYYJFSA-N 1 1 326.437 0.878 50 0 ECAAMO C[C@H]1C[NH+](CC2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000097097172 436537968 /nfs/dbraw/zinc/53/79/68/436537968.db2.gz JPIZDPGNJGSEER-RYUDHWBXSA-N 1 1 346.435 0.972 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000097200597 436542333 /nfs/dbraw/zinc/54/23/33/436542333.db2.gz GTWWLZZKAISJKJ-MRXNPFEDSA-N 1 1 345.447 0.506 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000058283011 436623440 /nfs/dbraw/zinc/62/34/40/436623440.db2.gz VOUIWANRBWFDFY-CQSZACIVSA-N 1 1 348.447 0.699 50 0 ECAAMO C[C@H](CNC(=O)c1cnc2ccccn2c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056221 436590063 /nfs/dbraw/zinc/59/00/63/436590063.db2.gz ASAWCTMFNTZUEM-MCIONIFRSA-N 1 1 344.415 0.922 50 0 ECAAMO C[C@H](CNC(=O)c1cnc2ccccn2c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056221 436590065 /nfs/dbraw/zinc/59/00/65/436590065.db2.gz ASAWCTMFNTZUEM-MCIONIFRSA-N 1 1 344.415 0.922 50 0 ECAAMO CC[C@@H]1CN(CC(=O)N(C)c2nccs2)CC[N@H+]1C[C@H](C)O ZINC000106841098 436603422 /nfs/dbraw/zinc/60/34/22/436603422.db2.gz DZZJLXKYHHYUMR-QWHCGFSZSA-N 1 1 326.466 0.883 50 0 ECAAMO CCCn1nnnc1CN1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000107141978 436608040 /nfs/dbraw/zinc/60/80/40/436608040.db2.gz ZUQOVGQFXLWCTE-ZBFHGGJFSA-N 1 1 349.483 0.458 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000107581085 436612937 /nfs/dbraw/zinc/61/29/37/436612937.db2.gz JUZMJZWZUNTOSE-HZPDHXFCSA-N 1 1 331.416 0.624 50 0 ECAAMO Cc1nc2ccc(S(=O)(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)cc2s1 ZINC000065370807 436655115 /nfs/dbraw/zinc/65/51/15/436655115.db2.gz QBVLUWDPKISBPO-MNOVXSKESA-N 1 1 341.458 0.948 50 0 ECAAMO Cc1nc2ccc(S(=O)(=O)N[C@@H]3C[C@@H](CO)[N@@H+](C)C3)cc2s1 ZINC000065370807 436655118 /nfs/dbraw/zinc/65/51/18/436655118.db2.gz QBVLUWDPKISBPO-MNOVXSKESA-N 1 1 341.458 0.948 50 0 ECAAMO Cc1cc(NCCC[N@@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)n1 ZINC000065421274 436659251 /nfs/dbraw/zinc/65/92/51/436659251.db2.gz DPHDQHIYBUMCHX-HNNXBMFYSA-N 1 1 335.452 0.880 50 0 ECAAMO Cc1cc(NCCC[N@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)n1 ZINC000065421274 436659253 /nfs/dbraw/zinc/65/92/53/436659253.db2.gz DPHDQHIYBUMCHX-HNNXBMFYSA-N 1 1 335.452 0.880 50 0 ECAAMO Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC000220384300 436699967 /nfs/dbraw/zinc/69/99/67/436699967.db2.gz ONGMEYWLKULUSB-LLVKDONJSA-N 1 1 340.449 0.132 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)CC1 ZINC000223648738 436707650 /nfs/dbraw/zinc/70/76/50/436707650.db2.gz JEVCZNZREIIFJK-CVEARBPZSA-N 1 1 325.453 0.324 50 0 ECAAMO CCS(=O)(=O)N1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000065462752 436663706 /nfs/dbraw/zinc/66/37/06/436663706.db2.gz GDGNDZPJIHNBEZ-CQSZACIVSA-N 1 1 331.482 0.745 50 0 ECAAMO CCC[C@@]1(COC)CCC[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000194944385 436675882 /nfs/dbraw/zinc/67/58/82/436675882.db2.gz IICPCCBPEBQTLY-KRWDZBQOSA-N 1 1 325.453 0.958 50 0 ECAAMO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000237081217 436722963 /nfs/dbraw/zinc/72/29/63/436722963.db2.gz GAWAAALEBXXVMK-LLVKDONJSA-N 1 1 332.447 0.463 50 0 ECAAMO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CNCCO1 ZINC000238153091 436756861 /nfs/dbraw/zinc/75/68/61/436756861.db2.gz SGPLKVKODDNFHZ-KRWDZBQOSA-N 1 1 333.432 0.248 50 0 ECAAMO C[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229712868 436715897 /nfs/dbraw/zinc/71/58/97/436715897.db2.gz HEYCMLFSSRDVQG-KFWWJZLASA-N 1 1 345.509 0.895 50 0 ECAAMO COc1ccccc1CNC(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000069444335 436774296 /nfs/dbraw/zinc/77/42/96/436774296.db2.gz WDPPQXFNNFPTMI-UHFFFAOYSA-N 1 1 346.431 0.801 50 0 ECAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000247161745 436790649 /nfs/dbraw/zinc/79/06/49/436790649.db2.gz QLLSOTCYIBQYJE-NEPJUHHUSA-N 1 1 340.449 0.371 50 0 ECAAMO C[C@@H]1C[NH+](CCC2CCN(C(=O)CS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000253431481 436846702 /nfs/dbraw/zinc/84/67/02/436846702.db2.gz HFTQUNGJZSFLLU-ZIAGYGMSSA-N 1 1 346.493 0.769 50 0 ECAAMO Cc1cc(C)cc(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)c1 ZINC000257177682 436857441 /nfs/dbraw/zinc/85/74/41/436857441.db2.gz XSEFGRXUMQTHLV-SJORKVTESA-N 1 1 345.443 0.829 50 0 ECAAMO Cc1noc([C@@]23CN(C(=O)C(C)C)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257188582 436857901 /nfs/dbraw/zinc/85/79/01/436857901.db2.gz FTVNUQBEBZSHFS-YOEHRIQHSA-N 1 1 336.436 0.818 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000257189151 436857911 /nfs/dbraw/zinc/85/79/11/436857911.db2.gz NLNRERFLVFOBEB-SJORKVTESA-N 1 1 345.443 0.781 50 0 ECAAMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000252482236 436834354 /nfs/dbraw/zinc/83/43/54/436834354.db2.gz DBGRTMJVNDOJSY-UHFFFAOYSA-N 1 1 327.450 0.796 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000170619933 436948603 /nfs/dbraw/zinc/94/86/03/436948603.db2.gz TYZLOCHBKUOGQU-LLVKDONJSA-N 1 1 343.424 0.935 50 0 ECAAMO Cc1nnc(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)s1 ZINC000299773720 437113153 /nfs/dbraw/zinc/11/31/53/437113153.db2.gz FIJREPUFKHXPEN-XFMPKHEZSA-N 1 1 325.434 0.835 50 0 ECAAMO Cc1nnc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)s1 ZINC000299773720 437113157 /nfs/dbraw/zinc/11/31/57/437113157.db2.gz FIJREPUFKHXPEN-XFMPKHEZSA-N 1 1 325.434 0.835 50 0 ECAAMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=COCCO1 ZINC000188144795 437529537 /nfs/dbraw/zinc/52/95/37/437529537.db2.gz BMYFEEAKYXCBIY-SFHVURJKSA-N 1 1 332.400 0.970 50 0 ECAAMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2nc(C)oc2C)CC1=O ZINC000424064315 437885906 /nfs/dbraw/zinc/88/59/06/437885906.db2.gz ZBNBGFUOHYNHFS-CYBMUJFWSA-N 1 1 338.408 0.200 50 0 ECAAMO OCCNc1nc(NC2Cc3ccccc3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426425445 438056585 /nfs/dbraw/zinc/05/65/85/438056585.db2.gz ODZOHWTZVNOVNY-OAHLLOKOSA-N 1 1 340.427 0.808 50 0 ECAAMO CCOC(=O)N1CCC(Nc2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426493997 438061972 /nfs/dbraw/zinc/06/19/72/438061972.db2.gz JGCXDMYXURJAPY-NSHDSACASA-N 1 1 335.408 1.017 50 0 ECAAMO Cc1nc[nH]c1CNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426494695 438062463 /nfs/dbraw/zinc/06/24/63/438062463.db2.gz VVBFVHDJUGHMNF-NSHDSACASA-N 1 1 330.392 0.805 50 0 ECAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCSc1cn[nH]n1 ZINC000426547744 438066368 /nfs/dbraw/zinc/06/63/68/438066368.db2.gz ZOUMELTWMVCZSU-NSHDSACASA-N 1 1 335.437 0.377 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000408522286 438582401 /nfs/dbraw/zinc/58/24/01/438582401.db2.gz GVEZUUJIQIFAEJ-UHFFFAOYSA-N 1 1 326.422 0.156 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000408522286 438582403 /nfs/dbraw/zinc/58/24/03/438582403.db2.gz GVEZUUJIQIFAEJ-UHFFFAOYSA-N 1 1 326.422 0.156 50 0 ECAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000585123779 439632280 /nfs/dbraw/zinc/63/22/80/439632280.db2.gz LOBCHLUARKRPHJ-AWEZNQCLSA-N 1 1 349.472 0.552 50 0 ECAAMO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000585120676 439633070 /nfs/dbraw/zinc/63/30/70/439633070.db2.gz AMYNWPOVYOUKCC-PMPSAXMXSA-N 1 1 335.448 0.614 50 0 ECAAMO CN(CC[N@@H+](C)C1CC1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000585138690 439633976 /nfs/dbraw/zinc/63/39/76/439633976.db2.gz HDKIQDITIVWJDU-HNNXBMFYSA-N 1 1 344.415 0.680 50 0 ECAAMO CC1(C)CN(c2ncc(F)c(NCC(F)F)n2)CC[N@H+]1CCO ZINC000585139185 439634167 /nfs/dbraw/zinc/63/41/67/439634167.db2.gz LRGAWIKQOOSUPK-UHFFFAOYSA-N 1 1 333.358 1.186 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(CCC(N)=O)CC2)C1 ZINC000584890772 439624954 /nfs/dbraw/zinc/62/49/54/439624954.db2.gz YXQBEXLBMLUBRS-HNNXBMFYSA-N 1 1 325.453 0.990 50 0 ECAAMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000084718712 545713168 /nfs/dbraw/zinc/71/31/68/545713168.db2.gz LNCOBKUFCRINPP-UONOGXRCSA-N 1 1 348.451 0.379 50 0 ECAAMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000084718712 545713175 /nfs/dbraw/zinc/71/31/75/545713175.db2.gz LNCOBKUFCRINPP-UONOGXRCSA-N 1 1 348.451 0.379 50 0 ECAAMO COc1cc(C)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000670461954 548016584 /nfs/dbraw/zinc/01/65/84/548016584.db2.gz VCXAAEYPCVFTLC-AWEZNQCLSA-N 1 1 342.461 0.986 50 0 ECAAMO COc1cc(C)ccc1S(=O)(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000670461954 548016592 /nfs/dbraw/zinc/01/65/92/548016592.db2.gz VCXAAEYPCVFTLC-AWEZNQCLSA-N 1 1 342.461 0.986 50 0 ECAAMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058820 590053144 /nfs/dbraw/zinc/05/31/44/590053144.db2.gz VVVQJOTYDQDIGH-HZPDHXFCSA-N 1 1 334.464 0.985 50 0 ECAAMO C[C@@H]1CN(C(=O)c2cccn2CCN2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000864058817 590053404 /nfs/dbraw/zinc/05/34/04/590053404.db2.gz VVVQJOTYDQDIGH-CVEARBPZSA-N 1 1 334.464 0.985 50 0 ECAAMO CCOC(=O)c1cnc(N2CCC[N@H+](CC(=O)N(C)C)CC2)nc1C ZINC000952991748 612140796 /nfs/dbraw/zinc/14/07/96/612140796.db2.gz IXJPVBWBLQXADD-UHFFFAOYSA-N 1 1 349.435 0.562 50 0 ECAAMO CCOC(=O)c1cnc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)nc1C ZINC000952991748 612140798 /nfs/dbraw/zinc/14/07/98/612140798.db2.gz IXJPVBWBLQXADD-UHFFFAOYSA-N 1 1 349.435 0.562 50 0 ECAAMO Cc1nnc([C@H]2CC[N@@H+](CCCO)CCN2C(=O)c2cccnc2)[nH]1 ZINC000675014268 741333066 /nfs/dbraw/zinc/33/30/66/741333066.db2.gz UQNKIIFVNJBSKE-OAHLLOKOSA-N 1 1 344.419 0.780 50 0 ECAAMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101416 214077749 /nfs/dbraw/zinc/07/77/49/214077749.db2.gz FPTDPPUHQUHCDV-ZIAGYGMSSA-N 1 1 333.498 0.941 50 0 ECAAMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101416 214077750 /nfs/dbraw/zinc/07/77/50/214077750.db2.gz FPTDPPUHQUHCDV-ZIAGYGMSSA-N 1 1 333.498 0.941 50 0 ECAAMO CNc1cc[nH+]c(N2CCN(C(=O)c3ccccc3)C[C@@H](O)C2)n1 ZINC000097635064 219043012 /nfs/dbraw/zinc/04/30/12/219043012.db2.gz GLYVNHPBZKDIPI-CQSZACIVSA-N 1 1 327.388 0.842 50 0 ECAAMO Cc1ccc2[nH]c(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1C ZINC000055037182 214266782 /nfs/dbraw/zinc/26/67/82/214266782.db2.gz OLNJEPPKDFPAAW-ZDUSSCGKSA-N 1 1 343.431 0.993 50 0 ECAAMO Cc1ccc2nc(CNC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)[nH]c2c1C ZINC000055037182 214266786 /nfs/dbraw/zinc/26/67/86/214266786.db2.gz OLNJEPPKDFPAAW-ZDUSSCGKSA-N 1 1 343.431 0.993 50 0 ECAAMO Cc1ccc2nc(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)[nH]c2c1C ZINC000055037182 214266791 /nfs/dbraw/zinc/26/67/91/214266791.db2.gz OLNJEPPKDFPAAW-ZDUSSCGKSA-N 1 1 343.431 0.993 50 0 ECAAMO Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c(C)c1CO ZINC000055227200 214292831 /nfs/dbraw/zinc/29/28/31/214292831.db2.gz TUQAHRGDDTZKOL-PMACEKPBSA-N 1 1 347.503 0.897 50 0 ECAAMO Cc1cc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)n(C)n1 ZINC000043434023 213581271 /nfs/dbraw/zinc/58/12/71/213581271.db2.gz LCXDPTYZRPAAPM-KBPBESRZSA-N 1 1 337.424 0.587 50 0 ECAAMO COc1cc(OC)c(C[NH+]2CCC3(CC2)NCCNC3=O)c(OC)c1 ZINC000067691114 215185617 /nfs/dbraw/zinc/18/56/17/215185617.db2.gz KHOJROFNXVIVKR-UHFFFAOYSA-N 1 1 349.431 0.766 50 0 ECAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000067818598 215219629 /nfs/dbraw/zinc/21/96/29/215219629.db2.gz YLYRLKVTDBGJOE-LBPRGKRZSA-N 1 1 345.490 0.827 50 0 ECAAMO C[N@@H+](CCO)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067895848 215244465 /nfs/dbraw/zinc/24/44/65/215244465.db2.gz VBTYIUXMJYHSOR-MRXNPFEDSA-N 1 1 328.359 0.742 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000040501132 213324545 /nfs/dbraw/zinc/32/45/45/213324545.db2.gz DGONRFBPQLJONF-ZDUSSCGKSA-N 1 1 348.403 0.075 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1 ZINC000072268876 216089107 /nfs/dbraw/zinc/08/91/07/216089107.db2.gz VZCVFVWQNOMAOJ-HNNXBMFYSA-N 1 1 325.453 0.741 50 0 ECAAMO C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000072300395 216138306 /nfs/dbraw/zinc/13/83/06/216138306.db2.gz KGHBVFFRQJYSAG-PBHICJAKSA-N 1 1 343.427 0.822 50 0 ECAAMO COc1cc2c(cc1CNC(=O)[C@@H]1[NH2+]CCc3nc[nH]c31)OCCO2 ZINC000072422032 216210088 /nfs/dbraw/zinc/21/00/88/216210088.db2.gz MFJSSTHTDMONDV-MRXNPFEDSA-N 1 1 344.371 0.693 50 0 ECAAMO CCNC(=O)C[NH+]1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072480396 216260609 /nfs/dbraw/zinc/26/06/09/216260609.db2.gz IANUMATWQCESMO-UHFFFAOYSA-N 1 1 347.463 0.937 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000023431915 212377334 /nfs/dbraw/zinc/37/73/34/212377334.db2.gz RKNWBZBWYGEKNY-OAHLLOKOSA-N 1 1 348.447 0.975 50 0 ECAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229356606 242160473 /nfs/dbraw/zinc/16/04/73/242160473.db2.gz XEBYIXSLVKKXRJ-CABCVRRESA-N 1 1 342.399 0.433 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229386184 242163288 /nfs/dbraw/zinc/16/32/88/242163288.db2.gz CIGZHNGNPRBYSS-RYUDHWBXSA-N 1 1 348.432 0.234 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCOCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229544800 242174279 /nfs/dbraw/zinc/17/42/79/242174279.db2.gz LLSVZXOCOZEKGW-FUHWJXTLSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544800 242174284 /nfs/dbraw/zinc/17/42/84/242174284.db2.gz LLSVZXOCOZEKGW-FUHWJXTLSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229544822 242174485 /nfs/dbraw/zinc/17/44/85/242174485.db2.gz NOICWJZRQCBQMT-GOEBONIOSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544822 242174489 /nfs/dbraw/zinc/17/44/89/242174489.db2.gz NOICWJZRQCBQMT-GOEBONIOSA-N 1 1 346.431 0.278 50 0 ECAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229565415 242178095 /nfs/dbraw/zinc/17/80/95/242178095.db2.gz QZKMWKDLWQEYEL-NEPJUHHUSA-N 1 1 334.486 0.185 50 0 ECAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229565415 242178100 /nfs/dbraw/zinc/17/81/00/242178100.db2.gz QZKMWKDLWQEYEL-NEPJUHHUSA-N 1 1 334.486 0.185 50 0 ECAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000245903080 243168831 /nfs/dbraw/zinc/16/88/31/243168831.db2.gz OFMCBJFSWNECSU-UKRRQHHQSA-N 1 1 334.420 0.403 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCNC3=O)C2=O)cc1 ZINC000019848530 212075099 /nfs/dbraw/zinc/07/50/99/212075099.db2.gz WTOWAUXVBGYRCO-KGLIPLIRSA-N 1 1 331.372 0.585 50 0 ECAAMO Cc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)N(C)C)C2)n1 ZINC000012434843 211379136 /nfs/dbraw/zinc/37/91/36/211379136.db2.gz SGRGHGCLMWKDNU-CQSZACIVSA-N 1 1 326.466 0.998 50 0 ECAAMO Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](NC(=O)CN(C)C(N)=O)[C@@H](C2CC2)C1 ZINC000091493061 218014522 /nfs/dbraw/zinc/01/45/22/218014522.db2.gz ZCIVKULRBBZTRW-CABCVRRESA-N 1 1 348.451 0.364 50 0 ECAAMO COCC[NH+]1CCN(Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)CC1 ZINC000091468788 218010751 /nfs/dbraw/zinc/01/07/51/218010751.db2.gz BGHIWSHWENZADK-UHFFFAOYSA-N 1 1 344.415 0.391 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1CO ZINC000091469056 218010788 /nfs/dbraw/zinc/01/07/88/218010788.db2.gz FPWMCXYKFJGUAX-GHMZBOCLSA-N 1 1 334.342 0.464 50 0 ECAAMO CN1CC[C@@]2(CN(C(=O)Cc3cccnc3)CC[N@H+]2C)CCC1=O ZINC000091587386 218027344 /nfs/dbraw/zinc/02/73/44/218027344.db2.gz LWTRNYWUBKEGQQ-GOSISDBHSA-N 1 1 330.432 0.779 50 0 ECAAMO CCC[C@H]1CN(c2cc(N)[nH+]cn2)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091594965 218028954 /nfs/dbraw/zinc/02/89/54/218028954.db2.gz FCLINXGFGHYCPW-STQMWFEESA-N 1 1 346.435 0.402 50 0 ECAAMO CC(C)n1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000091707641 218052423 /nfs/dbraw/zinc/05/24/23/218052423.db2.gz QRAVHPNURQMVRP-HZPDHXFCSA-N 1 1 336.436 0.477 50 0 ECAAMO COCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)ncn1 ZINC000091678095 218045727 /nfs/dbraw/zinc/04/57/27/218045727.db2.gz DBFRZNILELSIAM-KRWDZBQOSA-N 1 1 333.436 0.756 50 0 ECAAMO Cc1noc(C)c1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091819153 218071003 /nfs/dbraw/zinc/07/10/03/218071003.db2.gz HHKHMQJHVOXSDU-HUUCEWRRSA-N 1 1 338.452 0.465 50 0 ECAAMO Cc1noc(C)c1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091819153 218071005 /nfs/dbraw/zinc/07/10/05/218071005.db2.gz HHKHMQJHVOXSDU-HUUCEWRRSA-N 1 1 338.452 0.465 50 0 ECAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCn2cc(C)cn2)[C@@H](C(C)C)C1 ZINC000091769658 218062783 /nfs/dbraw/zinc/06/27/83/218062783.db2.gz DPBNNPYDBHWDLT-CABCVRRESA-N 1 1 335.452 0.400 50 0 ECAAMO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCOC)C2)on1 ZINC000091830925 218073004 /nfs/dbraw/zinc/07/30/04/218073004.db2.gz KQMLGVKACRZAFJ-CHWSQXEVSA-N 1 1 325.409 0.496 50 0 ECAAMO CSCC(=O)N1C[C@@H](CO)C[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091831193 218073129 /nfs/dbraw/zinc/07/31/29/218073129.db2.gz HJQKZEVKNZAWQJ-CABCVRRESA-N 1 1 329.510 0.444 50 0 ECAAMO CSCC(=O)N1C[C@@H](CN2CCC[N@H+](C)CC2)C[C@H](CO)C1 ZINC000091831193 218073132 /nfs/dbraw/zinc/07/31/32/218073132.db2.gz HJQKZEVKNZAWQJ-CABCVRRESA-N 1 1 329.510 0.444 50 0 ECAAMO CSCC(=O)N1C[C@@H](CN2CCC[N@@H+](C)CC2)C[C@H](CO)C1 ZINC000091831193 218073134 /nfs/dbraw/zinc/07/31/34/218073134.db2.gz HJQKZEVKNZAWQJ-CABCVRRESA-N 1 1 329.510 0.444 50 0 ECAAMO CCc1[nH]nc2c1CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)CC2 ZINC000095360021 218292764 /nfs/dbraw/zinc/29/27/64/218292764.db2.gz IXRCSTALQPXOJR-GFCCVEGCSA-N 1 1 333.436 0.267 50 0 ECAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095376239 218309421 /nfs/dbraw/zinc/30/94/21/218309421.db2.gz VAFRZYGYHLFZDX-LSDHHAIUSA-N 1 1 339.399 0.902 50 0 ECAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC000095386793 218318213 /nfs/dbraw/zinc/31/82/13/218318213.db2.gz CTTOKOZNVQODED-HUUCEWRRSA-N 1 1 346.431 0.426 50 0 ECAAMO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095407666 218344167 /nfs/dbraw/zinc/34/41/67/218344167.db2.gz VBZZJDSKMLAXBD-CABCVRRESA-N 1 1 342.399 0.414 50 0 ECAAMO O=S(=O)(c1cccnc1)N1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000096099736 218593756 /nfs/dbraw/zinc/59/37/56/218593756.db2.gz BDFZKSGVEUXDIH-CQSZACIVSA-N 1 1 325.434 0.691 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299772046 258084455 /nfs/dbraw/zinc/08/44/55/258084455.db2.gz YGSCHEYWMIFJIY-UHFFFAOYSA-N 1 1 340.449 0.055 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299772046 258084456 /nfs/dbraw/zinc/08/44/56/258084456.db2.gz YGSCHEYWMIFJIY-UHFFFAOYSA-N 1 1 340.449 0.055 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)C[C@@H]2O)CC1 ZINC000299772361 258084970 /nfs/dbraw/zinc/08/49/70/258084970.db2.gz ZMQKAFOOFBPOPW-ROUUACIJSA-N 1 1 344.459 1.000 50 0 ECAAMO Nc1nc(N2CCC(O)(Cn3ccnc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299796981 258100884 /nfs/dbraw/zinc/10/08/84/258100884.db2.gz OQARCHXEAKPSGT-CYBMUJFWSA-N 1 1 344.419 0.791 50 0 ECAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000029799962 135744898 /nfs/dbraw/zinc/74/48/98/135744898.db2.gz BZKQSYPSORTFQO-UHFFFAOYSA-N 1 1 327.388 0.734 50 0 ECAAMO CCOC(=O)NCCC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000032912212 285822861 /nfs/dbraw/zinc/82/28/61/285822861.db2.gz VOOPQGAXCZTRGD-CQSZACIVSA-N 1 1 329.441 0.986 50 0 ECAAMO C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C1=CC[N@@H+](C)CC1 ZINC000273044112 263389600 /nfs/dbraw/zinc/38/96/00/263389600.db2.gz WNCBOAXACGIRDJ-JTQLQIEISA-N 1 1 343.387 0.414 50 0 ECAAMO CS(=O)(=O)NCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000285553772 264322748 /nfs/dbraw/zinc/32/27/48/264322748.db2.gz UVHBZPPQXSSXQS-CQSZACIVSA-N 1 1 325.434 0.474 50 0 ECAAMO COc1ccccc1-n1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cn1 ZINC000193358860 274155828 /nfs/dbraw/zinc/15/58/28/274155828.db2.gz QOPBCDDFQUEEHQ-LBPRGKRZSA-N 1 1 336.417 0.863 50 0 ECAAMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189436266 437598414 /nfs/dbraw/zinc/59/84/14/437598414.db2.gz WCDNRBFWLJZPMG-SFHVURJKSA-N 1 1 345.443 0.798 50 0 ECAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000065454199 280337465 /nfs/dbraw/zinc/33/74/65/280337465.db2.gz KSCSAWMDEZXOCD-HNNXBMFYSA-N 1 1 331.482 0.904 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129391137 289354939 /nfs/dbraw/zinc/35/49/39/289354939.db2.gz IJRAFSXFCXZQOO-OAGGEKHMSA-N 1 1 325.453 0.324 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129391137 289354943 /nfs/dbraw/zinc/35/49/43/289354943.db2.gz IJRAFSXFCXZQOO-OAGGEKHMSA-N 1 1 325.453 0.324 50 0 ECAAMO NC(=O)NCC(=O)NCC[C@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000067886344 295082270 /nfs/dbraw/zinc/08/22/70/295082270.db2.gz WYRJQUWXDMCWDX-AWEZNQCLSA-N 1 1 326.441 0.585 50 0 ECAAMO CN(C)c1[nH+]cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1C ZINC000333491756 297137840 /nfs/dbraw/zinc/13/78/40/297137840.db2.gz QYBULVIVEASKEY-OAHLLOKOSA-N 1 1 335.452 0.699 50 0 ECAAMO CC[C@@H]1CN(CC(=O)Nc2nnc(C)s2)CC[N@H+]1CCOC ZINC000069739848 435961485 /nfs/dbraw/zinc/96/14/85/435961485.db2.gz NUPDKARWYVIYDP-GFCCVEGCSA-N 1 1 327.454 0.828 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069774965 435965593 /nfs/dbraw/zinc/96/55/93/435965593.db2.gz WSJRTFWPMHZENJ-HZSPNIEDSA-N 1 1 345.509 0.893 50 0 ECAAMO Cc1ccc(N2CCC[C@H]([N@@H+](C)CCC(=O)N3CCOCC3)C2)nn1 ZINC000069929113 435976021 /nfs/dbraw/zinc/97/60/21/435976021.db2.gz CKUPGLNFZLYWFJ-INIZCTEOSA-N 1 1 347.463 0.935 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000069924467 435976853 /nfs/dbraw/zinc/97/68/53/435976853.db2.gz FDKZEAVFWCPBER-KRWDZBQOSA-N 1 1 333.432 0.851 50 0 ECAAMO C[N@@H+](CCC(=O)N1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069923719 435978028 /nfs/dbraw/zinc/97/80/28/435978028.db2.gz KDVUBVZSTVVCJS-OAHLLOKOSA-N 1 1 333.436 0.626 50 0 ECAAMO COc1ccc(C)c(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000000299029 435953156 /nfs/dbraw/zinc/95/31/56/435953156.db2.gz DLMAFKURAKWGSI-HNNXBMFYSA-N 1 1 345.399 0.833 50 0 ECAAMO C[C@@H]1CN(C(=O)CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCO1 ZINC000069625090 435955191 /nfs/dbraw/zinc/95/51/91/435955191.db2.gz NYVTUKCYQOYQBC-SJLPKXTDSA-N 1 1 347.459 0.585 50 0 ECAAMO NC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000071800056 436013975 /nfs/dbraw/zinc/01/39/75/436013975.db2.gz JXOYHVVNOSCSMT-AWEZNQCLSA-N 1 1 332.404 0.844 50 0 ECAAMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000071841164 436018962 /nfs/dbraw/zinc/01/89/62/436018962.db2.gz YMRCIOSAZPHXGO-UHFFFAOYSA-N 1 1 336.461 0.214 50 0 ECAAMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000071841164 436018968 /nfs/dbraw/zinc/01/89/68/436018968.db2.gz YMRCIOSAZPHXGO-UHFFFAOYSA-N 1 1 336.461 0.214 50 0 ECAAMO O=C(CN1CCCC1=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000071863645 436019827 /nfs/dbraw/zinc/01/98/27/436019827.db2.gz WGLQEHJVWLJPGR-INIZCTEOSA-N 1 1 331.416 0.487 50 0 ECAAMO Cc1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000071871603 436022820 /nfs/dbraw/zinc/02/28/20/436022820.db2.gz JPIMUIWCXKGFOZ-ZDUSSCGKSA-N 1 1 337.424 0.133 50 0 ECAAMO Cc1nc(CN2CCC[N@H+]([C@@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000071871603 436022825 /nfs/dbraw/zinc/02/28/25/436022825.db2.gz JPIMUIWCXKGFOZ-ZDUSSCGKSA-N 1 1 337.424 0.133 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000071882002 436023845 /nfs/dbraw/zinc/02/38/45/436023845.db2.gz ILKZCVQXUGWHER-ZDUSSCGKSA-N 1 1 332.404 0.718 50 0 ECAAMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)CCCS(N)(=O)=O)C2)no1 ZINC000071882276 436024303 /nfs/dbraw/zinc/02/43/03/436024303.db2.gz JLCHJXRPSIZBIH-GFCCVEGCSA-N 1 1 345.469 0.207 50 0 ECAAMO COc1cc(CCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc(OC)c1 ZINC000071892808 436028535 /nfs/dbraw/zinc/02/85/35/436028535.db2.gz TVMIOSIKHWBPTR-UHFFFAOYSA-N 1 1 349.431 0.702 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000071921702 436030325 /nfs/dbraw/zinc/03/03/25/436030325.db2.gz AECHNXASKNPIMK-TXEJJXNPSA-N 1 1 332.422 0.301 50 0 ECAAMO C[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)N1CCOCC1 ZINC000072279834 436039823 /nfs/dbraw/zinc/03/98/23/436039823.db2.gz JKPXZEPDJVILIM-OAHLLOKOSA-N 1 1 335.452 0.175 50 0 ECAAMO C[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)N1CCOCC1 ZINC000072279834 436039827 /nfs/dbraw/zinc/03/98/27/436039827.db2.gz JKPXZEPDJVILIM-OAHLLOKOSA-N 1 1 335.452 0.175 50 0 ECAAMO C[C@@H]1C[NH+](CCNc2cc(N3CCC[C@@H]3CO)ncn2)C[C@@H](C)O1 ZINC000072276054 436039973 /nfs/dbraw/zinc/03/99/73/436039973.db2.gz XUODVERIWBWGAM-RBSFLKMASA-N 1 1 335.452 0.959 50 0 ECAAMO CCc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000072300014 436043101 /nfs/dbraw/zinc/04/31/01/436043101.db2.gz UZPFQHVCWPCLMD-KBPBESRZSA-N 1 1 334.424 0.396 50 0 ECAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178463 436100740 /nfs/dbraw/zinc/10/07/40/436100740.db2.gz DFFNNRKRYHJJIM-INIZCTEOSA-N 1 1 331.416 0.845 50 0 ECAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178463 436100748 /nfs/dbraw/zinc/10/07/48/436100748.db2.gz DFFNNRKRYHJJIM-INIZCTEOSA-N 1 1 331.416 0.845 50 0 ECAAMO COc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCCC(=O)N3)C2=O)cc1 ZINC000013574925 436061498 /nfs/dbraw/zinc/06/14/98/436061498.db2.gz VECQTKGCLGWAIX-ZIAGYGMSSA-N 1 1 331.372 0.933 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000025233124 436148302 /nfs/dbraw/zinc/14/83/02/436148302.db2.gz YCFBLZLPUOUJCH-HNNXBMFYSA-N 1 1 345.399 0.095 50 0 ECAAMO C[C@@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000025318904 436149639 /nfs/dbraw/zinc/14/96/39/436149639.db2.gz PBGMRMNDHRMTMN-CQSZACIVSA-N 1 1 338.496 0.824 50 0 ECAAMO C[C@@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000025318904 436149646 /nfs/dbraw/zinc/14/96/46/436149646.db2.gz PBGMRMNDHRMTMN-CQSZACIVSA-N 1 1 338.496 0.824 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CSc3ccccc3O2)CC1 ZINC000075126264 436152263 /nfs/dbraw/zinc/15/22/63/436152263.db2.gz IVHDVZGYXHPJSQ-AWEZNQCLSA-N 1 1 349.456 0.820 50 0 ECAAMO CC(C)(C)OC(=O)N1CCN(C[C@H](O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000075145657 436155777 /nfs/dbraw/zinc/15/57/77/436155777.db2.gz UZZUUDHALJLWOT-CABCVRRESA-N 1 1 343.468 0.357 50 0 ECAAMO Cn1ncc2c1ncnc2N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000026705667 436166667 /nfs/dbraw/zinc/16/66/67/436166667.db2.gz SEYRYLYSYFNRHA-UHFFFAOYSA-N 1 1 343.435 0.498 50 0 ECAAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2cc(Cl)nc(N)n2)CC1 ZINC000026706239 436165530 /nfs/dbraw/zinc/16/55/30/436165530.db2.gz VRUIRIFPVGYHES-UHFFFAOYSA-N 1 1 326.832 0.749 50 0 ECAAMO CC(C)NC(=O)C[N@H+]1CCCN(c2cc(Cl)nc(N)n2)CC1 ZINC000026706239 436165538 /nfs/dbraw/zinc/16/55/38/436165538.db2.gz VRUIRIFPVGYHES-UHFFFAOYSA-N 1 1 326.832 0.749 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028035589 436187368 /nfs/dbraw/zinc/18/73/68/436187368.db2.gz BNGXBBJDEGQYMU-UHFFFAOYSA-N 1 1 348.428 0.333 50 0 ECAAMO CC(C)[N@H+]1CCC[C@H](CN(C)C(=O)c2c[nH]nc2-n2cnnn2)C1 ZINC000077427065 436236829 /nfs/dbraw/zinc/23/68/29/436236829.db2.gz DZOBVDLZQZVFOZ-GFCCVEGCSA-N 1 1 332.412 0.578 50 0 ECAAMO CC[C@@]1(O)CC[N@H+](CC(=O)NCCc2ccc(OC)cc2)C[C@H]1O ZINC000077522902 436240241 /nfs/dbraw/zinc/24/02/41/436240241.db2.gz PZUKGJWTJKZYSH-SJLPKXTDSA-N 1 1 336.432 0.562 50 0 ECAAMO CC[C@@]1(O)CC[N@@H+](CC(=O)NCCc2ccc(OC)cc2)C[C@H]1O ZINC000077522902 436240245 /nfs/dbraw/zinc/24/02/45/436240245.db2.gz PZUKGJWTJKZYSH-SJLPKXTDSA-N 1 1 336.432 0.562 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)CC1 ZINC000076055681 436189325 /nfs/dbraw/zinc/18/93/25/436189325.db2.gz STQXRPHQGSKMOL-PBHICJAKSA-N 1 1 336.480 0.387 50 0 ECAAMO CN(C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000044938025 436353997 /nfs/dbraw/zinc/35/39/97/436353997.db2.gz WNWAKQFVVJJWQS-JSGCOSHPSA-N 1 1 330.450 0.133 50 0 ECAAMO CN(C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000044938025 436354001 /nfs/dbraw/zinc/35/40/01/436354001.db2.gz WNWAKQFVVJJWQS-JSGCOSHPSA-N 1 1 330.450 0.133 50 0 ECAAMO CCCn1nc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1=O ZINC000044911328 436351920 /nfs/dbraw/zinc/35/19/20/436351920.db2.gz KTAXZWWHQOYGAC-OAHLLOKOSA-N 1 1 348.447 0.980 50 0 ECAAMO CCCn1nc(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)ccc1=O ZINC000042540905 436306228 /nfs/dbraw/zinc/30/62/28/436306228.db2.gz LQFDDBMSCIGCLC-UHFFFAOYSA-N 1 1 335.452 0.409 50 0 ECAAMO CC(C)[C@@H](CNC(=O)Cn1nnc2ccccc21)N1CC[NH+](C)CC1 ZINC000042582064 436309539 /nfs/dbraw/zinc/30/95/39/436309539.db2.gz SULBZYVTGOOEFL-QGZVFWFLSA-N 1 1 344.463 0.820 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000043861288 436336050 /nfs/dbraw/zinc/33/60/50/436336050.db2.gz LARFZHGXTCXWQI-AWEZNQCLSA-N 1 1 340.468 0.832 50 0 ECAAMO COC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082162082 436363760 /nfs/dbraw/zinc/36/37/60/436363760.db2.gz IHSMUHWBFRALMS-AWEZNQCLSA-N 1 1 339.436 0.788 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044942040 436355852 /nfs/dbraw/zinc/35/58/52/436355852.db2.gz ZBBYTGXPFOVBOO-MGPQQGTHSA-N 1 1 329.466 0.544 50 0 ECAAMO C[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000044967892 436356524 /nfs/dbraw/zinc/35/65/24/436356524.db2.gz MWXRRCCIXQTJMS-HNNXBMFYSA-N 1 1 348.451 0.419 50 0 ECAAMO CN(Cc1ccncc1)C(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967809 436357573 /nfs/dbraw/zinc/35/75/73/436357573.db2.gz NOYYQIYALTYAIC-IAGOWNOFSA-N 1 1 348.447 0.960 50 0 ECAAMO CN(C)c1cc(C(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)ccn1 ZINC000047852511 436431018 /nfs/dbraw/zinc/43/10/18/436431018.db2.gz YFQPDAQHPBXNKK-HOTGVXAUSA-N 1 1 348.447 0.615 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000048230126 436444315 /nfs/dbraw/zinc/44/43/15/436444315.db2.gz CWALZVXTKLBJMP-UHFFFAOYSA-N 1 1 339.779 0.748 50 0 ECAAMO COCCN(CCOC)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048333310 436449846 /nfs/dbraw/zinc/44/98/46/436449846.db2.gz IEKABXQQCKAINR-UONOGXRCSA-N 1 1 335.470 0.042 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(=O)n(C)c1=O ZINC000048356465 436450612 /nfs/dbraw/zinc/45/06/12/436450612.db2.gz LCAFFFNWXSVRHL-LLVKDONJSA-N 1 1 348.428 0.748 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c(=O)n(C)c1=O ZINC000048356465 436450615 /nfs/dbraw/zinc/45/06/15/436450615.db2.gz LCAFFFNWXSVRHL-LLVKDONJSA-N 1 1 348.428 0.748 50 0 ECAAMO CC(=O)N1CC[NH+]([C@@H]2CN(CC(=O)Nc3cc(C)on3)C[C@H]2C)CC1 ZINC000089605208 436414505 /nfs/dbraw/zinc/41/45/05/436414505.db2.gz VIWWIEDNTZKQNT-IUODEOHRSA-N 1 1 349.435 0.406 50 0 ECAAMO COCCOc1ccc(CNC(=O)CN2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000089939073 436420570 /nfs/dbraw/zinc/42/05/70/436420570.db2.gz OIUVUVMFAAUPTN-OAHLLOKOSA-N 1 1 335.448 0.964 50 0 ECAAMO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000095980410 436502136 /nfs/dbraw/zinc/50/21/36/436502136.db2.gz PTRALTAADZUOLM-KRWDZBQOSA-N 1 1 341.411 0.736 50 0 ECAAMO Cn1c(CN2CC[NH+]([C@H]3CCOC3)CC2)nc2ccccc2c1=O ZINC000095987407 436503841 /nfs/dbraw/zinc/50/38/41/436503841.db2.gz QJWUDBCQYCDJRY-AWEZNQCLSA-N 1 1 328.416 0.840 50 0 ECAAMO CNc1nc(N2CCC[N@@H+](CCO)CC2)ncc1Br ZINC000097103076 436538791 /nfs/dbraw/zinc/53/87/91/436538791.db2.gz FXSMCTFIPBEDHK-UHFFFAOYSA-N 1 1 330.230 0.785 50 0 ECAAMO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000098055877 436545997 /nfs/dbraw/zinc/54/59/97/436545997.db2.gz XAQUUVAAIRUELW-OYVUYXNMSA-N 1 1 337.445 0.770 50 0 ECAAMO COC1CCN(c2[nH+]cnc(NCCN3CCOCC3)c2N)CC1 ZINC000105447251 436573880 /nfs/dbraw/zinc/57/38/80/436573880.db2.gz WOENSBBSUMUZIO-UHFFFAOYSA-N 1 1 336.440 0.418 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ncnc2nc[nH]c21 ZINC000058299781 436623633 /nfs/dbraw/zinc/62/36/33/436623633.db2.gz KARBFBSXMDYEGW-RYUDHWBXSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ncnc2[nH]cnc21 ZINC000058299781 436623635 /nfs/dbraw/zinc/62/36/35/436623635.db2.gz KARBFBSXMDYEGW-RYUDHWBXSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ncnc2[nH]cnc21 ZINC000058299781 436623636 /nfs/dbraw/zinc/62/36/36/436623636.db2.gz KARBFBSXMDYEGW-RYUDHWBXSA-N 1 1 329.408 0.532 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000058615976 436627337 /nfs/dbraw/zinc/62/73/37/436627337.db2.gz DIVBUGJSUFKWEY-HUUCEWRRSA-N 1 1 325.453 0.814 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000107142658 436608381 /nfs/dbraw/zinc/60/83/81/436608381.db2.gz XEPCEEAHFJNHQE-MLGOLLRUSA-N 1 1 339.461 0.594 50 0 ECAAMO CSCc1noc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107407065 436611099 /nfs/dbraw/zinc/61/10/99/436611099.db2.gz AZDIYRCKOAIHPN-OAHLLOKOSA-N 1 1 339.465 0.719 50 0 ECAAMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000107581925 436613318 /nfs/dbraw/zinc/61/33/18/436613318.db2.gz NPWRHIFHWDRJEV-GUYCJALGSA-N 1 1 333.432 0.905 50 0 ECAAMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000107581925 436613321 /nfs/dbraw/zinc/61/33/21/436613321.db2.gz NPWRHIFHWDRJEV-GUYCJALGSA-N 1 1 333.432 0.905 50 0 ECAAMO Cn1cc(N2CCC[C@@H](NC(=O)C[N@@H+](C)[C@H]3CCSC3)C2)cn1 ZINC000108487792 436619001 /nfs/dbraw/zinc/61/90/01/436619001.db2.gz QVGWBVBDNNPSQW-KGLIPLIRSA-N 1 1 337.493 0.942 50 0 ECAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000058201528 436621469 /nfs/dbraw/zinc/62/14/69/436621469.db2.gz JUMVMEWRUCWNNY-ZDUSSCGKSA-N 1 1 338.452 0.993 50 0 ECAAMO CN(C[C@H]1COCCO1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000221436334 436701133 /nfs/dbraw/zinc/70/11/33/436701133.db2.gz PMQSLRLKHDFJDF-SFHVURJKSA-N 1 1 347.459 0.921 50 0 ECAAMO CCCn1nnnc1CN1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306095 436715103 /nfs/dbraw/zinc/71/51/03/436715103.db2.gz RLUCYJSOEPIVQC-ZFWWWQNUSA-N 1 1 335.456 0.068 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CC(N)=O)CC1)c1ccco1 ZINC000065437421 436661594 /nfs/dbraw/zinc/66/15/94/436661594.db2.gz NPEPCVVZTUBGQP-ZDUSSCGKSA-N 1 1 337.424 0.131 50 0 ECAAMO CC[N@H+]1CC[C@H](CNC(=O)N2CCC(NS(C)(=O)=O)CC2)C1 ZINC000065446782 436661834 /nfs/dbraw/zinc/66/18/34/436661834.db2.gz BJPZHGOPBNMLRO-GFCCVEGCSA-N 1 1 332.470 0.051 50 0 ECAAMO CCCc1nc(NC[C@H]2CN(S(C)(=O)=O)CCO2)cc(C)[nH+]1 ZINC000065528522 436666600 /nfs/dbraw/zinc/66/66/00/436666600.db2.gz BSVUEHDVDMQMLB-LBPRGKRZSA-N 1 1 328.438 0.810 50 0 ECAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3cnc4c(F)cccc4c3O)C[C@H]2C1 ZINC000067771767 436722581 /nfs/dbraw/zinc/72/25/81/436722581.db2.gz OXSMGFVUTPMMHV-RYUDHWBXSA-N 1 1 344.390 0.785 50 0 ECAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3cnc4c(F)cccc4c3O)C[C@H]2C1 ZINC000067771767 436722586 /nfs/dbraw/zinc/72/25/86/436722586.db2.gz OXSMGFVUTPMMHV-RYUDHWBXSA-N 1 1 344.390 0.785 50 0 ECAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3cnc4c(F)cccc4c3O)C[C@H]2C1 ZINC000067771767 436722589 /nfs/dbraw/zinc/72/25/89/436722589.db2.gz OXSMGFVUTPMMHV-RYUDHWBXSA-N 1 1 344.390 0.785 50 0 ECAAMO Cc1cc(C)n(C2CN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)C2)n1 ZINC000240825170 436759217 /nfs/dbraw/zinc/75/92/17/436759217.db2.gz QNQAPOFTGUABFD-OAHLLOKOSA-N 1 1 333.436 0.482 50 0 ECAAMO Cc1cc(C)n(C2CN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)C2)n1 ZINC000240825170 436759220 /nfs/dbraw/zinc/75/92/20/436759220.db2.gz QNQAPOFTGUABFD-OAHLLOKOSA-N 1 1 333.436 0.482 50 0 ECAAMO Cc1cc(C)n(C2CN(C(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)C2)n1 ZINC000240825169 436759512 /nfs/dbraw/zinc/75/95/12/436759512.db2.gz QNQAPOFTGUABFD-HNNXBMFYSA-N 1 1 333.436 0.482 50 0 ECAAMO Cc1cc(C)n(C2CN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)C2)n1 ZINC000240825169 436759514 /nfs/dbraw/zinc/75/95/14/436759514.db2.gz QNQAPOFTGUABFD-HNNXBMFYSA-N 1 1 333.436 0.482 50 0 ECAAMO COCCN(CCOC)S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229697448 436715822 /nfs/dbraw/zinc/71/58/22/436715822.db2.gz IEKABXQQCKAINR-KGLIPLIRSA-N 1 1 335.470 0.042 50 0 ECAAMO C[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229712861 436716791 /nfs/dbraw/zinc/71/67/91/436716791.db2.gz HEYCMLFSSRDVQG-ILXRZTDVSA-N 1 1 345.509 0.895 50 0 ECAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000069533106 436779859 /nfs/dbraw/zinc/77/98/59/436779859.db2.gz LZBRJHIAZYGSER-MNOVXSKESA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000069533106 436779860 /nfs/dbraw/zinc/77/98/60/436779860.db2.gz LZBRJHIAZYGSER-MNOVXSKESA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C ZINC000247098556 436789666 /nfs/dbraw/zinc/78/96/66/436789666.db2.gz IBTAJOPBWPDSQF-KGLIPLIRSA-N 1 1 346.431 0.359 50 0 ECAAMO Cn1nncc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000253415929 436843552 /nfs/dbraw/zinc/84/35/52/436843552.db2.gz CRUFSCJXCANAHA-GFCCVEGCSA-N 1 1 325.369 0.289 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000253599123 436847505 /nfs/dbraw/zinc/84/75/05/436847505.db2.gz AKSIBRVSRJBMSJ-GJZGRUSLSA-N 1 1 333.436 0.441 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000253599123 436847514 /nfs/dbraw/zinc/84/75/14/436847514.db2.gz AKSIBRVSRJBMSJ-GJZGRUSLSA-N 1 1 333.436 0.441 50 0 ECAAMO O=C(Cc1cccc(F)c1)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257193059 436858555 /nfs/dbraw/zinc/85/85/55/436858555.db2.gz RGLXTRGKWAYYRW-WMLDXEAASA-N 1 1 336.407 0.956 50 0 ECAAMO Cn1ncc(Cl)c1C[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000132418882 436865368 /nfs/dbraw/zinc/86/53/68/436865368.db2.gz UQIHBTDVYLYXCB-UHFFFAOYSA-N 1 1 329.813 0.537 50 0 ECAAMO CCOC[C@H](O)C[N@@H+]1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000299754187 437111097 /nfs/dbraw/zinc/11/10/97/437111097.db2.gz MWWMQKXJNCQHFF-UAGQMJEPSA-N 1 1 327.469 0.258 50 0 ECAAMO CN(C)c1noc(CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)n1 ZINC000330032677 437447473 /nfs/dbraw/zinc/44/74/73/437447473.db2.gz QMLRFYVNOJNTCN-UHFFFAOYSA-N 1 1 332.412 0.314 50 0 ECAAMO COc1cc(CCNC(=O)N2CC[NH+](CCO)CC2)cc(OC)c1 ZINC000426690732 438071540 /nfs/dbraw/zinc/07/15/40/438071540.db2.gz SBYLEWQEGMRHBW-UHFFFAOYSA-N 1 1 337.420 0.566 50 0 ECAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)N2CCNC(=O)C2)C1 ZINC000534660272 439531916 /nfs/dbraw/zinc/53/19/16/439531916.db2.gz BKTHSJJDRMLILK-HNNXBMFYSA-N 1 1 330.432 0.958 50 0 ECAAMO CC(C)(C)OC(=O)N1CCN(c2nc(NCc3ncc[nH]3)n[nH]2)CC1 ZINC000585137285 439633513 /nfs/dbraw/zinc/63/35/13/439633513.db2.gz QPIXNTZRCSURFK-UHFFFAOYSA-N 1 1 348.411 1.197 50 0 ECAAMO C[C@H](C(=O)N1CCN(Cc2ccc(O)cc2)CC1)N1CC[NH+](C)CC1 ZINC000630095454 440850660 /nfs/dbraw/zinc/85/06/60/440850660.db2.gz RWMPEUIIMCPSHW-MRXNPFEDSA-N 1 1 346.475 0.672 50 0 ECAAMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000084718711 545713885 /nfs/dbraw/zinc/71/38/85/545713885.db2.gz LNCOBKUFCRINPP-KBPBESRZSA-N 1 1 348.451 0.379 50 0 ECAAMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(Cc2nnc(C3CC3)n2C)C(C)=O)C1 ZINC000084718711 545713888 /nfs/dbraw/zinc/71/38/88/545713888.db2.gz LNCOBKUFCRINPP-KBPBESRZSA-N 1 1 348.451 0.379 50 0 ECAAMO NS(=O)(=O)N1CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000215927573 545919104 /nfs/dbraw/zinc/91/91/04/545919104.db2.gz NVYLTICZDKMGDU-UHFFFAOYSA-N 1 1 335.433 0.253 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)CCc1ccncc1)CC2 ZINC000670441966 548011520 /nfs/dbraw/zinc/01/15/20/548011520.db2.gz OITWAXJOPYVTRK-UHFFFAOYSA-N 1 1 330.432 0.827 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2noc(-c3ccco3)n2)C1 ZINC000097610050 219040919 /nfs/dbraw/zinc/04/09/19/219040919.db2.gz YXDPUGLOQSAPTK-SNVBAGLBSA-N 1 1 333.348 0.143 50 0 ECAAMO Cc1noc(C)c1CN1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000051204675 214083450 /nfs/dbraw/zinc/08/34/50/214083450.db2.gz YBDRYTAXPUZGLI-HNNXBMFYSA-N 1 1 336.436 0.392 50 0 ECAAMO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CC[NH+](CCO)CC1 ZINC000052876575 214152694 /nfs/dbraw/zinc/15/26/94/214152694.db2.gz WBDCMCGMZFEZGK-GFCCVEGCSA-N 1 1 337.386 0.786 50 0 ECAAMO Cc1nnc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000053967261 214207682 /nfs/dbraw/zinc/20/76/82/214207682.db2.gz CJUBHMZJCUGEBE-UHFFFAOYSA-N 1 1 329.404 0.812 50 0 ECAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000054203983 214224176 /nfs/dbraw/zinc/22/41/76/214224176.db2.gz SEBHDYWXZPWZHG-CYBMUJFWSA-N 1 1 345.403 0.592 50 0 ECAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCNC(=O)CC2)CC1 ZINC000054258662 214228869 /nfs/dbraw/zinc/22/88/69/214228869.db2.gz SLDNZDLGICIUDP-UHFFFAOYSA-N 1 1 344.459 0.461 50 0 ECAAMO COc1ccc(OC)c(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000055035916 214265471 /nfs/dbraw/zinc/26/54/71/214265471.db2.gz UZZLRSLLCMRNQJ-GFCCVEGCSA-N 1 1 335.404 0.517 50 0 ECAAMO CC[NH+](CC)C[C@H](O)COc1ccc(CNCC(N)=O)cc1OC ZINC000055107604 214273443 /nfs/dbraw/zinc/27/34/43/214273443.db2.gz YLMZYIUAZXTNSC-AWEZNQCLSA-N 1 1 339.436 0.352 50 0 ECAAMO COCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)[nH]n1 ZINC000055183223 214285664 /nfs/dbraw/zinc/28/56/64/214285664.db2.gz NXKTYAJKBWTHPL-CQSZACIVSA-N 1 1 337.424 0.113 50 0 ECAAMO COCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)[nH]n1 ZINC000055183223 214285665 /nfs/dbraw/zinc/28/56/65/214285665.db2.gz NXKTYAJKBWTHPL-CQSZACIVSA-N 1 1 337.424 0.113 50 0 ECAAMO Cn1nc(C2CC2)cc1NC(=O)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097775641 219056440 /nfs/dbraw/zinc/05/64/40/219056440.db2.gz MLFKBDONHLARDB-GJZGRUSLSA-N 1 1 349.435 0.597 50 0 ECAAMO Cn1nc(C2CC2)cc1NC(=O)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097775641 219056443 /nfs/dbraw/zinc/05/64/43/219056443.db2.gz MLFKBDONHLARDB-GJZGRUSLSA-N 1 1 349.435 0.597 50 0 ECAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1cnc(C2CC2)[nH]c1=O ZINC000097823362 219059055 /nfs/dbraw/zinc/05/90/55/219059055.db2.gz LCPUBWDOEJANSW-CYBMUJFWSA-N 1 1 334.420 0.614 50 0 ECAAMO C[NH+]1CCN(CCCNc2c(=O)c(=O)c2NCc2ccco2)CC1 ZINC000101692289 219157046 /nfs/dbraw/zinc/15/70/46/219157046.db2.gz VZIIUULSLLMTKP-UHFFFAOYSA-N 1 1 332.404 0.537 50 0 ECAAMO CC[NH+](CC)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000003393338 210026968 /nfs/dbraw/zinc/02/69/68/210026968.db2.gz NVDFKQKCASDSNN-UHFFFAOYSA-N 1 1 344.415 0.702 50 0 ECAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)C(=O)N1CCOCC1 ZINC000067675344 215181439 /nfs/dbraw/zinc/18/14/39/215181439.db2.gz VSBKGVCADWYYMI-AWEZNQCLSA-N 1 1 335.404 0.467 50 0 ECAAMO CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000067773780 215209233 /nfs/dbraw/zinc/20/92/33/215209233.db2.gz DTLYFFPXCSEJBY-CYBMUJFWSA-N 1 1 339.465 0.448 50 0 ECAAMO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000067773780 215209237 /nfs/dbraw/zinc/20/92/37/215209237.db2.gz DTLYFFPXCSEJBY-CYBMUJFWSA-N 1 1 339.465 0.448 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)[C@@H]1Cc3ccccc3N1)CC2 ZINC000067843271 215228250 /nfs/dbraw/zinc/22/82/50/215228250.db2.gz ZNTWWWZIZJXZNJ-INIZCTEOSA-N 1 1 342.443 0.836 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)CCCc3ccccc3)C[C@@H]2O)CC1 ZINC000067850112 215230562 /nfs/dbraw/zinc/23/05/62/215230562.db2.gz XULKWAKBKKRHOX-ROUUACIJSA-N 1 1 331.460 0.828 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)cn1C ZINC000067954501 215258482 /nfs/dbraw/zinc/25/84/82/215258482.db2.gz KDFGCNMLMYMWEH-HNNXBMFYSA-N 1 1 349.460 0.924 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)cn1C ZINC000067954501 215258487 /nfs/dbraw/zinc/25/84/87/215258487.db2.gz KDFGCNMLMYMWEH-HNNXBMFYSA-N 1 1 349.460 0.924 50 0 ECAAMO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCC(c2ccccc2)CC1 ZINC000067954610 215259236 /nfs/dbraw/zinc/25/92/36/215259236.db2.gz RDKFRGDQANPZSX-IRXDYDNUSA-N 1 1 344.459 0.540 50 0 ECAAMO COCC[NH+]1CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000069628065 215506542 /nfs/dbraw/zinc/50/65/42/215506542.db2.gz OKKXHZOGCQTLKM-AWEZNQCLSA-N 1 1 346.431 0.624 50 0 ECAAMO Cc1nnsc1C(=O)NCCNc1cc(-n2cccn2)nc(C)[nH+]1 ZINC000038488251 213209884 /nfs/dbraw/zinc/20/98/84/213209884.db2.gz KZXSUECFYJSNFX-UHFFFAOYSA-N 1 1 344.404 0.973 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1S(N)(=O)=O ZINC000035050991 213005022 /nfs/dbraw/zinc/00/50/22/213005022.db2.gz KRSITCLIUSFUOQ-LLVKDONJSA-N 1 1 341.433 0.557 50 0 ECAAMO C[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 ZINC000072145050 216031140 /nfs/dbraw/zinc/03/11/40/216031140.db2.gz FVFYHBUJUSHIIT-MRXNPFEDSA-N 1 1 348.422 0.290 50 0 ECAAMO Cc1ccncc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072153109 216042518 /nfs/dbraw/zinc/04/25/18/216042518.db2.gz TZMHBKKMIDEHDA-MRXNPFEDSA-N 1 1 339.399 0.515 50 0 ECAAMO COc1ccc(C2(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)CC2)cc1 ZINC000072158093 216047971 /nfs/dbraw/zinc/04/79/71/216047971.db2.gz LFZAVDVRNUJPBR-INIZCTEOSA-N 1 1 343.427 0.806 50 0 ECAAMO CCOc1ccc(C[N@@H+]2CCN[C@@H](C(=O)NC3CC3)C2)cc1CO ZINC000072162950 216051693 /nfs/dbraw/zinc/05/16/93/216051693.db2.gz HULQTRQDNQCCPO-MRXNPFEDSA-N 1 1 333.432 0.630 50 0 ECAAMO CCOc1ccc(C[N@H+]2CCN[C@@H](C(=O)NC3CC3)C2)cc1CO ZINC000072162950 216051696 /nfs/dbraw/zinc/05/16/96/216051696.db2.gz HULQTRQDNQCCPO-MRXNPFEDSA-N 1 1 333.432 0.630 50 0 ECAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)C(N)=O)C2)cc1OC ZINC000072165863 216056283 /nfs/dbraw/zinc/05/62/83/216056283.db2.gz XFZBPTGXKSDYMA-AWEZNQCLSA-N 1 1 349.431 0.654 50 0 ECAAMO Cc1c(C[N@H+]2CCOC[C@H](CO)C2)c(=O)n(-c2ccccc2)n1C ZINC000072411806 216204460 /nfs/dbraw/zinc/20/44/60/216204460.db2.gz KLRGRDHQZRJTMI-HNNXBMFYSA-N 1 1 331.416 0.925 50 0 ECAAMO O=C(C[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072421003 216209528 /nfs/dbraw/zinc/20/95/28/216209528.db2.gz QCQPCNPSMUFPLU-CQSZACIVSA-N 1 1 348.378 0.458 50 0 ECAAMO O=C(C[C@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072421003 216209529 /nfs/dbraw/zinc/20/95/29/216209529.db2.gz QCQPCNPSMUFPLU-CQSZACIVSA-N 1 1 348.378 0.458 50 0 ECAAMO O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072457616 216241898 /nfs/dbraw/zinc/24/18/98/216241898.db2.gz HIHWWTAAMWWMSJ-OAHLLOKOSA-N 1 1 338.371 0.192 50 0 ECAAMO CC(C)c1nnc2n1CCN(C(=O)[C@@H]1[NH2+]CCc3nc[nH]c31)CC2 ZINC000072473309 216249984 /nfs/dbraw/zinc/24/99/84/216249984.db2.gz BAWSUGUWYATNNF-CQSZACIVSA-N 1 1 329.408 0.396 50 0 ECAAMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000193998797 240395285 /nfs/dbraw/zinc/39/52/85/240395285.db2.gz IYTSNPWLWFKDGX-CYBMUJFWSA-N 1 1 331.482 0.743 50 0 ECAAMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000193998797 240395290 /nfs/dbraw/zinc/39/52/90/240395290.db2.gz IYTSNPWLWFKDGX-CYBMUJFWSA-N 1 1 331.482 0.743 50 0 ECAAMO CCc1cc(N2CC[N@H+](C)[C@@H](C(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000216404713 241188500 /nfs/dbraw/zinc/18/85/00/241188500.db2.gz KFQDGWYOTBSQGY-CYBMUJFWSA-N 1 1 335.408 0.081 50 0 ECAAMO CCc1cc(N2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000216404713 241188503 /nfs/dbraw/zinc/18/85/03/241188503.db2.gz KFQDGWYOTBSQGY-CYBMUJFWSA-N 1 1 335.408 0.081 50 0 ECAAMO Cn1nc(CO)c2c1CC[N@H+](CCCOc1ccc(C(N)=O)cc1)C2 ZINC000244678601 243055075 /nfs/dbraw/zinc/05/50/75/243055075.db2.gz IGOPEFVKFVFNAS-UHFFFAOYSA-N 1 1 344.415 0.839 50 0 ECAAMO Cn1nc(CO)c2c1CC[N@@H+](CCCOc1ccc(C(N)=O)cc1)C2 ZINC000244678601 243055081 /nfs/dbraw/zinc/05/50/81/243055081.db2.gz IGOPEFVKFVFNAS-UHFFFAOYSA-N 1 1 344.415 0.839 50 0 ECAAMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccccc1 ZINC000020046327 212097774 /nfs/dbraw/zinc/09/77/74/212097774.db2.gz RNEMNKBSGUMQER-UHFFFAOYSA-N 1 1 339.461 0.861 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000242196960 284167844 /nfs/dbraw/zinc/16/78/44/284167844.db2.gz XGMFMESTILZGDU-YUTCNCBUSA-N 1 1 335.404 0.390 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000242196960 284167846 /nfs/dbraw/zinc/16/78/46/284167846.db2.gz XGMFMESTILZGDU-YUTCNCBUSA-N 1 1 335.404 0.390 50 0 ECAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000019733170 212058848 /nfs/dbraw/zinc/05/88/48/212058848.db2.gz ILFKYSOKQMFKDU-CQSZACIVSA-N 1 1 331.372 0.524 50 0 ECAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000106110778 284189780 /nfs/dbraw/zinc/18/97/80/284189780.db2.gz XGMFMESTILZGDU-XBFCOCLRSA-N 1 1 335.404 0.390 50 0 ECAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000106110778 284189781 /nfs/dbraw/zinc/18/97/81/284189781.db2.gz XGMFMESTILZGDU-XBFCOCLRSA-N 1 1 335.404 0.390 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cn1 ZINC000078949972 217156612 /nfs/dbraw/zinc/15/66/12/217156612.db2.gz WRAJEZSLKOHVHQ-OAHLLOKOSA-N 1 1 349.460 0.885 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cn1 ZINC000078949972 217156616 /nfs/dbraw/zinc/15/66/16/217156616.db2.gz WRAJEZSLKOHVHQ-OAHLLOKOSA-N 1 1 349.460 0.885 50 0 ECAAMO Cc1ccn2cc(CNC(=O)C[NH+]3CCC(C(N)=O)CC3)nc2c1 ZINC000091574372 218023596 /nfs/dbraw/zinc/02/35/96/218023596.db2.gz QEUYYYIXMXVNCJ-UHFFFAOYSA-N 1 1 329.404 0.456 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 ZINC000091587388 218027103 /nfs/dbraw/zinc/02/71/03/218027103.db2.gz IXSJYJQHCGFCOD-CQSZACIVSA-N 1 1 346.431 0.089 50 0 ECAAMO Cc1cc2c(cc1CN1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1)OCO2 ZINC000091645715 218039152 /nfs/dbraw/zinc/03/91/52/218039152.db2.gz GZNHIXKAHPGYCP-HZPDHXFCSA-N 1 1 336.432 0.688 50 0 ECAAMO Cc1cc2c(cc1C[N@@H+]1C[C@H](CO)[C@H](CN(C)CCO)C1)OCO2 ZINC000091645715 218039153 /nfs/dbraw/zinc/03/91/53/218039153.db2.gz GZNHIXKAHPGYCP-HZPDHXFCSA-N 1 1 336.432 0.688 50 0 ECAAMO Cc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](CN(C)CCO)C1)OCO2 ZINC000091645715 218039156 /nfs/dbraw/zinc/03/91/56/218039156.db2.gz GZNHIXKAHPGYCP-HZPDHXFCSA-N 1 1 336.432 0.688 50 0 ECAAMO OC[C@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091650672 218039546 /nfs/dbraw/zinc/03/95/46/218039546.db2.gz DAIZGLFWOWHPGJ-HUUCEWRRSA-N 1 1 344.419 0.039 50 0 ECAAMO CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1[NH2+]CCc3nc[nH]c31)CC2 ZINC000091678195 218045109 /nfs/dbraw/zinc/04/51/09/218045109.db2.gz LMCWGSAAZSQTFF-INIZCTEOSA-N 1 1 345.447 0.848 50 0 ECAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cn(CCO)nc1C)C2 ZINC000091724459 218053640 /nfs/dbraw/zinc/05/36/40/218053640.db2.gz BDATZJHOXGOOSN-GOEBONIOSA-N 1 1 336.436 0.253 50 0 ECAAMO [NH3+]C1(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)CC1 ZINC000091779147 218064645 /nfs/dbraw/zinc/06/46/45/218064645.db2.gz ZBZVYHONHQXBIK-QGZVFWFLSA-N 1 1 345.447 0.675 50 0 ECAAMO COc1c(C)cnc(CN(C)C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1C ZINC000092003119 218101557 /nfs/dbraw/zinc/10/15/57/218101557.db2.gz DQBVSYLPGAMPBU-CQSZACIVSA-N 1 1 348.447 0.863 50 0 ECAAMO Cc1nn(C)cc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092037518 218108242 /nfs/dbraw/zinc/10/82/42/218108242.db2.gz QFVRQEYVMZZTPT-HUUCEWRRSA-N 1 1 336.436 0.131 50 0 ECAAMO Cc1nc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc(=O)[nH]1 ZINC000092077689 218115647 /nfs/dbraw/zinc/11/56/47/218115647.db2.gz ACQNHGKWDWHUCC-KRWDZBQOSA-N 1 1 333.436 0.619 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2CO)CC1 ZINC000092080477 218117285 /nfs/dbraw/zinc/11/72/85/218117285.db2.gz MZNASVKIOCNEHJ-QZTJIDSGSA-N 1 1 346.475 0.329 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2CO)CC1 ZINC000092080477 218117287 /nfs/dbraw/zinc/11/72/87/218117287.db2.gz MZNASVKIOCNEHJ-QZTJIDSGSA-N 1 1 346.475 0.329 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2CO)CC1 ZINC000092080477 218117289 /nfs/dbraw/zinc/11/72/89/218117289.db2.gz MZNASVKIOCNEHJ-QZTJIDSGSA-N 1 1 346.475 0.329 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccco1 ZINC000009317876 211065884 /nfs/dbraw/zinc/06/58/84/211065884.db2.gz YMOZFFYXEYOMPQ-CYBMUJFWSA-N 1 1 344.371 0.736 50 0 ECAAMO COCCN1CC[C@]2(CN(Cc3nccn3C)CC[N@H+]2C)CCC1=O ZINC000095358045 218291455 /nfs/dbraw/zinc/29/14/55/218291455.db2.gz SSSUAQVTMOLYAK-SFHVURJKSA-N 1 1 349.479 0.565 50 0 ECAAMO C[NH+]1CCN(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000009048722 211034374 /nfs/dbraw/zinc/03/43/74/211034374.db2.gz OLIWXJDNQAPBJD-UHFFFAOYSA-N 1 1 345.447 0.610 50 0 ECAAMO COc1c2c(c(CNS(C)(=O)=O)c3c1C[N@@H+](C)CC3)OCO2 ZINC000008765431 211002404 /nfs/dbraw/zinc/00/24/04/211002404.db2.gz WYUJBFZPDGOGMC-UHFFFAOYSA-N 1 1 328.390 0.461 50 0 ECAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]2C1 ZINC000299800989 258104136 /nfs/dbraw/zinc/10/41/36/258104136.db2.gz UJSWWEMAFWDSQU-JKIFEVAISA-N 1 1 337.420 0.916 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069895734 276643244 /nfs/dbraw/zinc/64/32/44/276643244.db2.gz QPSNLZQHZWYEQJ-CABCVRRESA-N 1 1 349.431 0.543 50 0 ECAAMO CC[NH+](CC)C[C@@H](O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000002500838 279120395 /nfs/dbraw/zinc/12/03/95/279120395.db2.gz VTQHWGQDRGPOKV-LBPRGKRZSA-N 1 1 325.434 0.770 50 0 ECAAMO Cc1cccc(NCCNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)[nH+]1 ZINC000075142172 281243660 /nfs/dbraw/zinc/24/36/60/281243660.db2.gz QXXGYTZFYJHHPS-UHFFFAOYSA-N 1 1 340.387 0.805 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000069697149 435960221 /nfs/dbraw/zinc/96/02/21/435960221.db2.gz XYFQJMUSETVMQC-ZDUSSCGKSA-N 1 1 339.461 0.705 50 0 ECAAMO CC(C)CN(CC(F)(F)F)C(=O)CN1CC[NH+](CCO)CC1 ZINC000069772023 435964989 /nfs/dbraw/zinc/96/49/89/435964989.db2.gz OQHAERMZVHINSY-UHFFFAOYSA-N 1 1 325.375 0.643 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000069813298 435967011 /nfs/dbraw/zinc/96/70/11/435967011.db2.gz XXPQVEBHIGMXTD-UHFFFAOYSA-N 1 1 339.411 0.585 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 ZINC000069847039 435971986 /nfs/dbraw/zinc/97/19/86/435971986.db2.gz YXYHZCUJLBDALK-ZDUSSCGKSA-N 1 1 329.404 0.621 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000069875493 435974818 /nfs/dbraw/zinc/97/48/18/435974818.db2.gz FUMJSVXWLHVNAE-ZDUSSCGKSA-N 1 1 346.387 0.028 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000069980942 435980465 /nfs/dbraw/zinc/98/04/65/435980465.db2.gz CCZFQJOVLXDZSJ-CVEARBPZSA-N 1 1 332.448 0.823 50 0 ECAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000000181407 435948540 /nfs/dbraw/zinc/94/85/40/435948540.db2.gz ILFKYSOKQMFKDU-AWEZNQCLSA-N 1 1 331.372 0.524 50 0 ECAAMO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000069598119 435950093 /nfs/dbraw/zinc/95/00/93/435950093.db2.gz ANRBDQNQOMBXQB-MRXNPFEDSA-N 1 1 347.463 0.977 50 0 ECAAMO CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000069598119 435950101 /nfs/dbraw/zinc/95/01/01/435950101.db2.gz ANRBDQNQOMBXQB-MRXNPFEDSA-N 1 1 347.463 0.977 50 0 ECAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069596187 435951803 /nfs/dbraw/zinc/95/18/03/435951803.db2.gz POGVOALKNLKDEB-ZIAGYGMSSA-N 1 1 346.387 0.911 50 0 ECAAMO C[C@@H]1CN(C(=O)CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000069625084 435953318 /nfs/dbraw/zinc/95/33/18/435953318.db2.gz NYVTUKCYQOYQBC-AEFFLSMTSA-N 1 1 347.459 0.585 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069659585 435956171 /nfs/dbraw/zinc/95/61/71/435956171.db2.gz ASCLKMRBDLZUJH-SNVBAGLBSA-N 1 1 342.421 0.173 50 0 ECAAMO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658762 435956552 /nfs/dbraw/zinc/95/65/52/435956552.db2.gz XWCQHFWNFJLUBN-KBPBESRZSA-N 1 1 335.452 0.828 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccc3)C2)CC1 ZINC000071440537 436007397 /nfs/dbraw/zinc/00/73/97/436007397.db2.gz WYXPKYZGBOLEID-SJORKVTESA-N 1 1 345.443 0.983 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000071440537 436007400 /nfs/dbraw/zinc/00/74/00/436007400.db2.gz WYXPKYZGBOLEID-SJORKVTESA-N 1 1 345.443 0.983 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000071864572 436018214 /nfs/dbraw/zinc/01/82/14/436018214.db2.gz YDIGVLOFIRDXEK-LSDHHAIUSA-N 1 1 341.477 0.352 50 0 ECAAMO CCCCC[N@@H+](CCO)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000071902324 436026600 /nfs/dbraw/zinc/02/66/00/436026600.db2.gz FXBAZCHYMQQKKT-LBPRGKRZSA-N 1 1 327.425 0.989 50 0 ECAAMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000071920360 436029708 /nfs/dbraw/zinc/02/97/08/436029708.db2.gz DCJPCGDBHFKIJD-SECBINFHSA-N 1 1 345.321 0.879 50 0 ECAAMO CCOCCO[C@@H](C)C(=O)N1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000072283778 436040049 /nfs/dbraw/zinc/04/00/49/436040049.db2.gz PWYQPOPDIYWBFK-AWEZNQCLSA-N 1 1 341.452 0.241 50 0 ECAAMO Cc1nn2c(nc(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cc2=O)s1 ZINC000072279664 436040461 /nfs/dbraw/zinc/04/04/61/436040461.db2.gz TUEKHKJPUIHSSN-GHMZBOCLSA-N 1 1 337.449 0.346 50 0 ECAAMO O[C@@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCCC2)C1 ZINC000012031229 436046975 /nfs/dbraw/zinc/04/69/75/436046975.db2.gz SBIRHKQRDIVJSA-GFCCVEGCSA-N 1 1 347.423 0.872 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCn1cccn1 ZINC000012584584 436051135 /nfs/dbraw/zinc/05/11/35/436051135.db2.gz QRSHBPWVULFMLD-HNNXBMFYSA-N 1 1 335.452 0.626 50 0 ECAAMO COc1ccc(C[C@@H]2NC(=O)[C@H]3C[N@@H+](CC(C)C)CCN3C2=O)cc1 ZINC000014542165 436072899 /nfs/dbraw/zinc/07/28/99/436072899.db2.gz DJUBMVBHDABDIF-DLBZAZTESA-N 1 1 345.443 0.905 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc3c2OCCO3)CC1 ZINC000075124675 436153694 /nfs/dbraw/zinc/15/36/94/436153694.db2.gz XHWUUDQMXOWYBL-UHFFFAOYSA-N 1 1 333.388 0.352 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3CS(N)(=O)=O)nc12 ZINC000074316710 436120246 /nfs/dbraw/zinc/12/02/46/436120246.db2.gz YMASGUOPDQQOJR-CYBMUJFWSA-N 1 1 336.417 0.256 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3CS(N)(=O)=O)nc12 ZINC000074316710 436120250 /nfs/dbraw/zinc/12/02/50/436120250.db2.gz YMASGUOPDQQOJR-CYBMUJFWSA-N 1 1 336.417 0.256 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026259052 436160762 /nfs/dbraw/zinc/16/07/62/436160762.db2.gz UKDNXFTVINZDRL-CYBMUJFWSA-N 1 1 344.419 0.512 50 0 ECAAMO O=C(C[NH+]1CCC(O)CC1)N1CCN(Cc2ccccc2F)CC1 ZINC000026859149 436168732 /nfs/dbraw/zinc/16/87/32/436168732.db2.gz IYVHZPVJDVXDNQ-UHFFFAOYSA-N 1 1 335.423 0.927 50 0 ECAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027557498 436177856 /nfs/dbraw/zinc/17/78/56/436177856.db2.gz TUTVBUMOBMRPPL-JTQLQIEISA-N 1 1 348.378 0.681 50 0 ECAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027557498 436177861 /nfs/dbraw/zinc/17/78/61/436177861.db2.gz TUTVBUMOBMRPPL-JTQLQIEISA-N 1 1 348.378 0.681 50 0 ECAAMO CNC(=O)C1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000027965796 436183404 /nfs/dbraw/zinc/18/34/04/436183404.db2.gz NHWWNVCUFAATLG-UHFFFAOYSA-N 1 1 339.461 0.895 50 0 ECAAMO CCN(C(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000076193618 436195744 /nfs/dbraw/zinc/19/57/44/436195744.db2.gz FTXOTLVMUXAYCQ-UHFFFAOYSA-N 1 1 336.480 0.627 50 0 ECAAMO CCN(C(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000076193618 436195751 /nfs/dbraw/zinc/19/57/51/436195751.db2.gz FTXOTLVMUXAYCQ-UHFFFAOYSA-N 1 1 336.480 0.627 50 0 ECAAMO CCN(C(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000076193618 436195753 /nfs/dbraw/zinc/19/57/53/436195753.db2.gz FTXOTLVMUXAYCQ-UHFFFAOYSA-N 1 1 336.480 0.627 50 0 ECAAMO CCN(C(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000076193618 436195759 /nfs/dbraw/zinc/19/57/59/436195759.db2.gz FTXOTLVMUXAYCQ-UHFFFAOYSA-N 1 1 336.480 0.627 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c(=O)n(C)c1=O ZINC000029483437 436202530 /nfs/dbraw/zinc/20/25/30/436202530.db2.gz IMIOIGOJLZZKPI-CYBMUJFWSA-N 1 1 342.399 0.468 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(=O)n(C)c1=O ZINC000029483437 436202538 /nfs/dbraw/zinc/20/25/38/436202538.db2.gz IMIOIGOJLZZKPI-CYBMUJFWSA-N 1 1 342.399 0.468 50 0 ECAAMO CN(CCO)Cc1nnc(C2CC[NH+](Cc3c[nH]cn3)CC2)n1C ZINC000077323104 436233109 /nfs/dbraw/zinc/23/31/09/436233109.db2.gz YPEQFPGAIVSOFY-UHFFFAOYSA-N 1 1 333.440 0.342 50 0 ECAAMO Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC000042108122 436296417 /nfs/dbraw/zinc/29/64/17/436296417.db2.gz NXGKHAZOMPOTOO-VXGBXAGGSA-N 1 1 328.438 0.944 50 0 ECAAMO Cn1nnc2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000078788692 436277240 /nfs/dbraw/zinc/27/72/40/436277240.db2.gz YMZHOFNBXDFZSM-HOTGVXAUSA-N 1 1 329.404 0.640 50 0 ECAAMO O=C(Cn1ccccc1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000044896935 436352733 /nfs/dbraw/zinc/35/27/33/436352733.db2.gz IIGGMIBOTAMZCC-UHFFFAOYSA-N 1 1 341.411 0.997 50 0 ECAAMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000042287291 436301537 /nfs/dbraw/zinc/30/15/37/436301537.db2.gz IHEVMKZOUJRVQA-LSDHHAIUSA-N 1 1 335.448 0.871 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1C ZINC000046140898 436386767 /nfs/dbraw/zinc/38/67/67/436386767.db2.gz BRSWWGGQRNWWEU-UHFFFAOYSA-N 1 1 339.461 0.692 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000046367711 436393156 /nfs/dbraw/zinc/39/31/56/436393156.db2.gz DLDMFUSBVOURSC-KBPBESRZSA-N 1 1 346.497 0.394 50 0 ECAAMO C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044915429 436354178 /nfs/dbraw/zinc/35/41/78/436354178.db2.gz ASAWCTMFNTZUEM-MELADBBJSA-N 1 1 344.415 0.922 50 0 ECAAMO C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044915429 436354181 /nfs/dbraw/zinc/35/41/81/436354181.db2.gz ASAWCTMFNTZUEM-MELADBBJSA-N 1 1 344.415 0.922 50 0 ECAAMO O=C(Cn1cccn1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000048288507 436448048 /nfs/dbraw/zinc/44/80/48/436448048.db2.gz UNOAZLMECUFZGJ-UHFFFAOYSA-N 1 1 331.395 0.961 50 0 ECAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091635709 436456438 /nfs/dbraw/zinc/45/64/38/436456438.db2.gz DYHSHECMMNAZSC-GOEBONIOSA-N 1 1 344.394 0.935 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000089938116 436420910 /nfs/dbraw/zinc/42/09/10/436420910.db2.gz LUSVCJCBPOVMML-SNVBAGLBSA-N 1 1 328.210 0.773 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000089938116 436420913 /nfs/dbraw/zinc/42/09/13/436420913.db2.gz LUSVCJCBPOVMML-SNVBAGLBSA-N 1 1 328.210 0.773 50 0 ECAAMO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000089937823 436421439 /nfs/dbraw/zinc/42/14/39/436421439.db2.gz NPWRHIFHWDRJEV-CXAGYDPISA-N 1 1 333.432 0.905 50 0 ECAAMO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000089937823 436421443 /nfs/dbraw/zinc/42/14/43/436421443.db2.gz NPWRHIFHWDRJEV-CXAGYDPISA-N 1 1 333.432 0.905 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000051055513 436482207 /nfs/dbraw/zinc/48/22/07/436482207.db2.gz TVASSDOLROEYPO-RWMBFGLXSA-N 1 1 326.441 0.847 50 0 ECAAMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000095395020 436494517 /nfs/dbraw/zinc/49/45/17/436494517.db2.gz BSAWCVWTOMUBSU-ZDUSSCGKSA-N 1 1 340.449 0.671 50 0 ECAAMO Cc1cc(N2CCN(c3nc(N)nc4nc[nH]c43)CC2)nc(C)[nH+]1 ZINC000095939869 436500670 /nfs/dbraw/zinc/50/06/70/436500670.db2.gz UUSXIHXQPCSJQX-UHFFFAOYSA-N 1 1 325.380 0.669 50 0 ECAAMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1cccn1 ZINC000096410227 436531276 /nfs/dbraw/zinc/53/12/76/436531276.db2.gz HMKYNEPAMWWRSE-OAHLLOKOSA-N 1 1 328.420 0.605 50 0 ECAAMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000096440564 436532346 /nfs/dbraw/zinc/53/23/46/436532346.db2.gz GBYGFPOMNOUTJH-OAHLLOKOSA-N 1 1 333.436 0.986 50 0 ECAAMO CCn1nc(C)c(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)c1C ZINC000096428006 436532606 /nfs/dbraw/zinc/53/26/06/436532606.db2.gz REMZJEHSHJERFC-UHFFFAOYSA-N 1 1 340.453 0.798 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1CCCN1CC(=O)NCCCOC(C)C ZINC000058427396 436626032 /nfs/dbraw/zinc/62/60/32/436626032.db2.gz QDHHPZCDZIYZTI-MRXNPFEDSA-N 1 1 329.485 0.960 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000107354820 436611855 /nfs/dbraw/zinc/61/18/55/436611855.db2.gz BTNFFAKMOQCQKA-XHSDSOJGSA-N 1 1 337.464 0.957 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccccc1 ZINC000057554068 436612496 /nfs/dbraw/zinc/61/24/96/436612496.db2.gz KTQYGESRZPZSPR-ZDUSSCGKSA-N 1 1 337.445 0.660 50 0 ECAAMO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000065399514 436656964 /nfs/dbraw/zinc/65/69/64/436656964.db2.gz IVLGNGHHXOEQQN-HZSPNIEDSA-N 1 1 344.481 0.336 50 0 ECAAMO O=C(NCC1=CCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1)c1cccs1 ZINC000065399009 436658486 /nfs/dbraw/zinc/65/84/86/436658486.db2.gz UKXYLJPRLFLDOM-UHFFFAOYSA-N 1 1 346.412 0.687 50 0 ECAAMO CCCCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)CC)CC1 ZINC000065404176 436658623 /nfs/dbraw/zinc/65/86/23/436658623.db2.gz BUCGMHGCAHDBQM-UHFFFAOYSA-N 1 1 333.498 0.896 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000223130281 436704970 /nfs/dbraw/zinc/70/49/70/436704970.db2.gz RHMNBGYGMGVFKE-OAHLLOKOSA-N 1 1 325.376 0.838 50 0 ECAAMO COc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000225627200 436711718 /nfs/dbraw/zinc/71/17/18/436711718.db2.gz FJYRETLVDCSQMY-AWEZNQCLSA-N 1 1 340.445 0.915 50 0 ECAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)CC1 ZINC000065449874 436661698 /nfs/dbraw/zinc/66/16/98/436661698.db2.gz TUBSEOKXSZQFQO-UHFFFAOYSA-N 1 1 343.435 0.946 50 0 ECAAMO CN1CCN(c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)cn2)CC1 ZINC000065446803 436662102 /nfs/dbraw/zinc/66/21/02/436662102.db2.gz IVNHXGMSQGLYSF-UHFFFAOYSA-N 1 1 346.479 0.681 50 0 ECAAMO CN1CCN(c2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000065446803 436662105 /nfs/dbraw/zinc/66/21/05/436662105.db2.gz IVNHXGMSQGLYSF-UHFFFAOYSA-N 1 1 346.479 0.681 50 0 ECAAMO C[N@@H+]1CCN2CCN(c3cncc(C(=O)N4CCCC4)n3)C[C@@H]2C1 ZINC000065434209 436662138 /nfs/dbraw/zinc/66/21/38/436662138.db2.gz VKDHVTYLPFCHJZ-AWEZNQCLSA-N 1 1 330.436 0.149 50 0 ECAAMO C[N@H+]1CCN2CCN(c3cncc(C(=O)N4CCCC4)n3)C[C@@H]2C1 ZINC000065434209 436662141 /nfs/dbraw/zinc/66/21/41/436662141.db2.gz VKDHVTYLPFCHJZ-AWEZNQCLSA-N 1 1 330.436 0.149 50 0 ECAAMO CCn1cc(C2CC[NH+](CC(=O)N[C@H]3CCCCNC3=O)CC2)cn1 ZINC000065458697 436662668 /nfs/dbraw/zinc/66/26/68/436662668.db2.gz IGVXIMITPRUKAZ-INIZCTEOSA-N 1 1 347.463 0.867 50 0 ECAAMO O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195255448 436686052 /nfs/dbraw/zinc/68/60/52/436686052.db2.gz ONXRNIOYANOCJT-TXEJJXNPSA-N 1 1 340.383 0.348 50 0 ECAAMO Cc1cc2n(n1)CCN(C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000244900234 436760224 /nfs/dbraw/zinc/76/02/24/436760224.db2.gz ZYJPYOQAQHXWNT-CYBMUJFWSA-N 1 1 340.449 0.043 50 0 ECAAMO Cc1cc2n(n1)CCN(C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000244900234 436760227 /nfs/dbraw/zinc/76/02/27/436760227.db2.gz ZYJPYOQAQHXWNT-CYBMUJFWSA-N 1 1 340.449 0.043 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)COC[C@H]2CCCO2)n1 ZINC000248026913 436798737 /nfs/dbraw/zinc/79/87/37/436798737.db2.gz KLXFJJKQNSQKKZ-GVDBMIGSSA-N 1 1 338.452 0.916 50 0 ECAAMO COCCn1nc(C(=O)N2CCN(CC(C)C)CC2)c2c1CC[NH2+]C2 ZINC000253406669 436842238 /nfs/dbraw/zinc/84/22/38/436842238.db2.gz JCFCMWOFKZIFGB-UHFFFAOYSA-N 1 1 349.479 0.589 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000253431397 436845169 /nfs/dbraw/zinc/84/51/69/436845169.db2.gz PYVOJTZPHURCSO-GOEBONIOSA-N 1 1 346.431 0.267 50 0 ECAAMO Cn1c2ccc(S(=O)(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2oc1=O ZINC000252442235 436830633 /nfs/dbraw/zinc/83/06/33/436830633.db2.gz RQCDNPJPVMSLIF-NSHDSACASA-N 1 1 337.401 0.600 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000257366438 436876365 /nfs/dbraw/zinc/87/63/65/436876365.db2.gz YUMWZDKTLOFIDU-RHSMWYFYSA-N 1 1 332.448 0.370 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000170619934 436947443 /nfs/dbraw/zinc/94/74/43/436947443.db2.gz TYZLOCHBKUOGQU-NSHDSACASA-N 1 1 343.424 0.935 50 0 ECAAMO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000298708991 437048294 /nfs/dbraw/zinc/04/82/94/437048294.db2.gz STSJGFOSWRFHES-UHFFFAOYSA-N 1 1 339.461 0.691 50 0 ECAAMO Cn1ncc2c1ncnc2NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000024204580 303062354 /nfs/dbraw/zinc/06/23/54/303062354.db2.gz HAMKESHSILXPBB-OCCSQVGLSA-N 1 1 332.408 0.513 50 0 ECAAMO CCn1nccc1CC[N@H+]1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000286718503 437123310 /nfs/dbraw/zinc/12/33/10/437123310.db2.gz JIGVXNVPUZGBQP-CVEARBPZSA-N 1 1 330.436 0.641 50 0 ECAAMO Cn1cnn(CC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1=O ZINC000182655577 437357996 /nfs/dbraw/zinc/35/79/96/437357996.db2.gz DDUVFNOPRMALCA-AWEZNQCLSA-N 1 1 327.388 0.593 50 0 ECAAMO CN(CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000192211287 437671465 /nfs/dbraw/zinc/67/14/65/437671465.db2.gz NCRJEVOIBLGZPP-OAHLLOKOSA-N 1 1 334.420 0.404 50 0 ECAAMO Cc1cnn([C@H](C)C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1 ZINC000426370436 438053680 /nfs/dbraw/zinc/05/36/80/438053680.db2.gz ILDSJHXJNMWTBJ-CQSZACIVSA-N 1 1 333.436 0.565 50 0 ECAAMO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1n[nH]c2c1CCC2 ZINC000426369403 438054072 /nfs/dbraw/zinc/05/40/72/438054072.db2.gz UCMQUACXJUPNSG-GFCCVEGCSA-N 1 1 328.420 0.878 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000426431158 438058992 /nfs/dbraw/zinc/05/89/92/438058992.db2.gz VGWLKZDMTGRJQI-SECBINFHSA-N 1 1 335.330 0.798 50 0 ECAAMO CCCc1cnc(C)nc1N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426444587 438060675 /nfs/dbraw/zinc/06/06/75/438060675.db2.gz MEFCNXWWHPRNAU-HUUCEWRRSA-N 1 1 335.452 0.673 50 0 ECAAMO CCCc1cnc(C)nc1N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426444587 438060680 /nfs/dbraw/zinc/06/06/80/438060680.db2.gz MEFCNXWWHPRNAU-HUUCEWRRSA-N 1 1 335.452 0.673 50 0 ECAAMO CCC(C)(C)[C@H](O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000585121713 439632047 /nfs/dbraw/zinc/63/20/47/439632047.db2.gz XCAWZABGZHBWJJ-ZIAGYGMSSA-N 1 1 325.453 0.724 50 0 ECAAMO O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000585136728 439634287 /nfs/dbraw/zinc/63/42/87/439634287.db2.gz QTTLFNCCNBVTIW-CVEARBPZSA-N 1 1 349.406 0.672 50 0 ECAAMO O=C(C[C@@H]1CCOC1)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000584885483 439625134 /nfs/dbraw/zinc/62/51/34/439625134.db2.gz OEMHTQFLQRTUGE-HNNXBMFYSA-N 1 1 325.453 0.014 50 0 ECAAMO O=C(c1cc2n(n1)CCCO2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328761920 320731416 /nfs/dbraw/zinc/73/14/16/320731416.db2.gz YKAKTQDWHINMHH-CQSZACIVSA-N 1 1 334.420 0.850 50 0 ECAAMO COc1ccnc(Nc2cnn(C[C@@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000069599358 518171164 /nfs/dbraw/zinc/17/11/64/518171164.db2.gz XSNGYLKBBBMPJC-ZDUSSCGKSA-N 1 1 334.380 0.118 50 0 ECAAMO O=C([C@@H]1CSC[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000166493891 534598086 /nfs/dbraw/zinc/59/80/86/534598086.db2.gz IHXWQEKIYGPHMD-JTQLQIEISA-N 1 1 331.392 0.585 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000084304207 545709875 /nfs/dbraw/zinc/70/98/75/545709875.db2.gz QOHOVEODJADEIT-CQSZACIVSA-N 1 1 330.440 0.490 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000585094189 546287614 /nfs/dbraw/zinc/28/76/14/546287614.db2.gz NRJKDGZSEHLWHA-UONOGXRCSA-N 1 1 338.452 0.897 50 0 ECAAMO COc1ccc(Cn2ncnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000670457624 548015685 /nfs/dbraw/zinc/01/56/85/548015685.db2.gz IPHNOWJJXFVOQP-CQSZACIVSA-N 1 1 329.404 1.000 50 0 ECAAMO COc1ccc(Cn2ncnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000670457624 548015689 /nfs/dbraw/zinc/01/56/89/548015689.db2.gz IPHNOWJJXFVOQP-CQSZACIVSA-N 1 1 329.404 1.000 50 0 ECAAMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccn2nnnc12 ZINC000904217998 586833166 /nfs/dbraw/zinc/83/31/66/586833166.db2.gz YVIOITFTAGSYHB-ZSHCYNCHSA-N 1 1 334.383 0.985 50 0 ECAAMO Cc1ccc(NC(=O)[C@H](C)n2cnnn2)cc1NC(=O)C[NH+](C)C ZINC000952968903 612139470 /nfs/dbraw/zinc/13/94/70/612139470.db2.gz ITFOXQGPSYMZDL-NSHDSACASA-N 1 1 331.380 0.681 50 0 ECAAMO COc1ccc2[nH]c(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)cc2c1 ZINC000952978392 612139713 /nfs/dbraw/zinc/13/97/13/612139713.db2.gz LUJWMMWAPIZUMG-LBPRGKRZSA-N 1 1 344.415 0.990 50 0 ECAAMO CC(C)[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981305 612139918 /nfs/dbraw/zinc/13/99/18/612139918.db2.gz DFJLXNLPTGYIBA-TZMCWYRMSA-N 1 1 349.435 0.958 50 0 ECAAMO CC(C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981305 612139919 /nfs/dbraw/zinc/13/99/19/612139919.db2.gz DFJLXNLPTGYIBA-TZMCWYRMSA-N 1 1 349.435 0.958 50 0 ECAAMO O=C(C[NH+]1CCC(O)CC1)N1CCCN(Cc2ccncc2)CC1 ZINC000244716034 612474136 /nfs/dbraw/zinc/47/41/36/612474136.db2.gz LHBXBESOVDBSRC-UHFFFAOYSA-N 1 1 332.448 0.573 50 0 ECAAMO Cn1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1=O ZINC000052134668 214118724 /nfs/dbraw/zinc/11/87/24/214118724.db2.gz OPGWBWKDXKNBPA-AWEZNQCLSA-N 1 1 327.450 0.679 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1 ZINC000052620271 214136346 /nfs/dbraw/zinc/13/63/46/214136346.db2.gz MVZZSKFKSOFHBO-HNNXBMFYSA-N 1 1 342.443 0.790 50 0 ECAAMO C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000052620271 214136349 /nfs/dbraw/zinc/13/63/49/214136349.db2.gz MVZZSKFKSOFHBO-HNNXBMFYSA-N 1 1 342.443 0.790 50 0 ECAAMO C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000052620271 214136352 /nfs/dbraw/zinc/13/63/52/214136352.db2.gz MVZZSKFKSOFHBO-HNNXBMFYSA-N 1 1 342.443 0.790 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000004687814 210247307 /nfs/dbraw/zinc/24/73/07/210247307.db2.gz IESBITZIEDMCJD-HUUCEWRRSA-N 1 1 345.509 0.896 50 0 ECAAMO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101768555 219162443 /nfs/dbraw/zinc/16/24/43/219162443.db2.gz WPUJXZGHSRQYSH-NSHDSACASA-N 1 1 328.825 0.952 50 0 ECAAMO CC(=O)[C@@H](NC(=O)CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C(C)C ZINC000066562454 215054346 /nfs/dbraw/zinc/05/43/46/215054346.db2.gz FQQMGFVPLNUTPL-KSSFIOAISA-N 1 1 339.480 0.901 50 0 ECAAMO Cc1ncc(C[N@H+]2C[C@H]3[C@H](C(=O)N(C)Cc4cc[nH]n4)[C@H]3C2)cn1 ZINC000102832930 219234108 /nfs/dbraw/zinc/23/41/08/219234108.db2.gz NENRCOICYQPITQ-ZSHCYNCHSA-N 1 1 326.404 0.845 50 0 ECAAMO Cc1csc(SCC(=O)N2CCC3(CC2)[NH2+]CCNC3=O)n1 ZINC000067787373 215211673 /nfs/dbraw/zinc/21/16/73/215211673.db2.gz DXKBNZLGYBCEPR-UHFFFAOYSA-N 1 1 340.474 0.624 50 0 ECAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000067881498 215240826 /nfs/dbraw/zinc/24/08/26/215240826.db2.gz YADQCEDZGIHTRO-SNVBAGLBSA-N 1 1 341.314 0.432 50 0 ECAAMO COc1ccc(OC)c(CC(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)c1 ZINC000067935110 215252592 /nfs/dbraw/zinc/25/25/92/215252592.db2.gz GXRZXAHXECPLKB-GJZGRUSLSA-N 1 1 333.432 0.751 50 0 ECAAMO COc1ccc(OC)c(CC(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)c1 ZINC000067935110 215252595 /nfs/dbraw/zinc/25/25/95/215252595.db2.gz GXRZXAHXECPLKB-GJZGRUSLSA-N 1 1 333.432 0.751 50 0 ECAAMO COc1ccc(OC)c(CC(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)c1 ZINC000067935110 215252597 /nfs/dbraw/zinc/25/25/97/215252597.db2.gz GXRZXAHXECPLKB-GJZGRUSLSA-N 1 1 333.432 0.751 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(=O)[nH]c1 ZINC000069372789 215391233 /nfs/dbraw/zinc/39/12/33/215391233.db2.gz KAHYIBVYZVPIFE-UHFFFAOYSA-N 1 1 342.403 0.519 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000040534299 213339277 /nfs/dbraw/zinc/33/92/77/213339277.db2.gz QZIIWEHWBQCUQI-ZDUSSCGKSA-N 1 1 329.404 0.640 50 0 ECAAMO COc1ccc(OC)c(N2C[C@H](C(=O)N3CC[NH+](C)CC3)CC2=O)c1 ZINC000038668072 213219736 /nfs/dbraw/zinc/21/97/36/213219736.db2.gz QGLFUKADWOEVQR-CYBMUJFWSA-N 1 1 347.415 0.831 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1cc(=O)[nH]cn1 ZINC000072144201 216030765 /nfs/dbraw/zinc/03/07/65/216030765.db2.gz MKUFTBPJFNERHP-CQSZACIVSA-N 1 1 349.435 0.078 50 0 ECAAMO [NH3+]CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072156596 216045040 /nfs/dbraw/zinc/04/50/40/216045040.db2.gz UVKGXNBYEFEFHZ-FSPWUOQZSA-N 1 1 329.400 0.763 50 0 ECAAMO Cc1ccoc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccncc1 ZINC000072156466 216045404 /nfs/dbraw/zinc/04/54/04/216045404.db2.gz UARZNALTTVDWNA-CQSZACIVSA-N 1 1 328.372 0.713 50 0 ECAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCCC2)c(C)n1 ZINC000072162849 216052024 /nfs/dbraw/zinc/05/20/24/216052024.db2.gz UUGDPXHZYAORKG-OAHLLOKOSA-N 1 1 333.436 0.638 50 0 ECAAMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)nc(N2CCCC2)n1 ZINC000072241147 216079149 /nfs/dbraw/zinc/07/91/49/216079149.db2.gz ATSNFEROEBFTJQ-UHFFFAOYSA-N 1 1 333.436 0.837 50 0 ECAAMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301478 216139658 /nfs/dbraw/zinc/13/96/58/216139658.db2.gz UQMRRSKQYIVJSA-AEFFLSMTSA-N 1 1 346.475 0.644 50 0 ECAAMO CC(C)NC(=O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022772086 212322810 /nfs/dbraw/zinc/32/28/10/212322810.db2.gz DRXKDZHXBZEHNF-UHFFFAOYSA-N 1 1 332.448 0.445 50 0 ECAAMO Cc1nc(CN(C)C(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000216194275 241172517 /nfs/dbraw/zinc/17/25/17/241172517.db2.gz XGYPZKMNNFRHDP-CYBMUJFWSA-N 1 1 345.490 0.919 50 0 ECAAMO Cc1nc(CN(C)C(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000216194275 241172520 /nfs/dbraw/zinc/17/25/20/241172520.db2.gz XGYPZKMNNFRHDP-CYBMUJFWSA-N 1 1 345.490 0.919 50 0 ECAAMO Cn1cccc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)c1=O ZINC000216173949 241173174 /nfs/dbraw/zinc/17/31/74/241173174.db2.gz QJANPYFEZRAFJS-UHFFFAOYSA-N 1 1 332.448 0.675 50 0 ECAAMO Cn1nc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1=O ZINC000216205417 241175068 /nfs/dbraw/zinc/17/50/68/241175068.db2.gz SZKVQZUSOJKIPL-OAHLLOKOSA-N 1 1 326.400 1.000 50 0 ECAAMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000229650691 242185687 /nfs/dbraw/zinc/18/56/87/242185687.db2.gz ODBMQOATPWKXOS-KGLIPLIRSA-N 1 1 336.388 0.633 50 0 ECAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000020813814 212174598 /nfs/dbraw/zinc/17/45/98/212174598.db2.gz RVAUDRIZRQSKDQ-NSHDSACASA-N 1 1 330.388 0.542 50 0 ECAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000020813814 212174601 /nfs/dbraw/zinc/17/46/01/212174601.db2.gz RVAUDRIZRQSKDQ-NSHDSACASA-N 1 1 330.388 0.542 50 0 ECAAMO CCN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000020046320 212097827 /nfs/dbraw/zinc/09/78/27/212097827.db2.gz WRSYYQVOTIEXRZ-UHFFFAOYSA-N 1 1 325.434 0.471 50 0 ECAAMO COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)nc2)C1 ZINC000078602755 217084447 /nfs/dbraw/zinc/08/44/47/217084447.db2.gz OJVASWCYAVWBSK-ZDUSSCGKSA-N 1 1 336.392 0.256 50 0 ECAAMO CCc1nc(CN(C)[C@@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)no1 ZINC000078891494 217141204 /nfs/dbraw/zinc/14/12/04/217141204.db2.gz ZJTWNIJKCGYPHP-GFCCVEGCSA-N 1 1 345.469 0.077 50 0 ECAAMO CCc1nc(CN(C)[C@@H]2CC[N@@H+](CCNS(=O)(=O)CC)C2)no1 ZINC000078891494 217141208 /nfs/dbraw/zinc/14/12/08/217141208.db2.gz ZJTWNIJKCGYPHP-GFCCVEGCSA-N 1 1 345.469 0.077 50 0 ECAAMO C[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000111503594 220163457 /nfs/dbraw/zinc/16/34/57/220163457.db2.gz KSGBRBUCTNMKRW-AWEZNQCLSA-N 1 1 339.461 0.947 50 0 ECAAMO C[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111503594 220163459 /nfs/dbraw/zinc/16/34/59/220163459.db2.gz KSGBRBUCTNMKRW-AWEZNQCLSA-N 1 1 339.461 0.947 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2CO)CC1 ZINC000091445016 218006696 /nfs/dbraw/zinc/00/66/96/218006696.db2.gz YXAGVNXLZRFOCE-IAGOWNOFSA-N 1 1 349.479 0.047 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2CO)CC1 ZINC000091445016 218006698 /nfs/dbraw/zinc/00/66/98/218006698.db2.gz YXAGVNXLZRFOCE-IAGOWNOFSA-N 1 1 349.479 0.047 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2CO)CC1 ZINC000091445016 218006701 /nfs/dbraw/zinc/00/67/01/218006701.db2.gz YXAGVNXLZRFOCE-IAGOWNOFSA-N 1 1 349.479 0.047 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000091586752 218025717 /nfs/dbraw/zinc/02/57/17/218025717.db2.gz JWCLRDDWKWTVHU-HNNXBMFYSA-N 1 1 345.443 0.694 50 0 ECAAMO CN1CC[C@@]2(CN(C(=O)CCCn3cccn3)CC[N@H+]2C)CCC1=O ZINC000091694521 218048924 /nfs/dbraw/zinc/04/89/24/218048924.db2.gz ZFVVLXIODQTXBF-GOSISDBHSA-N 1 1 347.463 0.818 50 0 ECAAMO Cc1noc(CC2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC000091754727 218059141 /nfs/dbraw/zinc/05/91/41/218059141.db2.gz IGWAXCHPVMCTON-CQSZACIVSA-N 1 1 349.435 0.356 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc(C3CC3)nc2)C[C@]12CCNC(=O)CC2 ZINC000091877233 218083642 /nfs/dbraw/zinc/08/36/42/218083642.db2.gz UPKYBKMAWNRSAE-SFHVURJKSA-N 1 1 343.431 0.781 50 0 ECAAMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(=O)n1C ZINC000092045680 218110762 /nfs/dbraw/zinc/11/07/62/218110762.db2.gz ZFLIJWGGEQHVPH-GOSISDBHSA-N 1 1 346.431 0.120 50 0 ECAAMO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000095355873 218289443 /nfs/dbraw/zinc/28/94/43/218289443.db2.gz TVWMAWADHCXSKY-INIZCTEOSA-N 1 1 349.479 0.529 50 0 ECAAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000095367190 218298583 /nfs/dbraw/zinc/29/85/83/218298583.db2.gz ONUYGVMSMJNFAM-LBPRGKRZSA-N 1 1 339.407 0.816 50 0 ECAAMO COCC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095386277 218318201 /nfs/dbraw/zinc/31/82/01/218318201.db2.gz RCGVECOZENRVFS-CYBMUJFWSA-N 1 1 332.408 0.721 50 0 ECAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000095402527 218337949 /nfs/dbraw/zinc/33/79/49/218337949.db2.gz SNGDVTBQXUSFMB-PWSUYJOCSA-N 1 1 328.438 0.131 50 0 ECAAMO CCc1c(C)cc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(=O)n1C ZINC000097463586 219025721 /nfs/dbraw/zinc/02/57/21/219025721.db2.gz LRZSRHFPLXERMW-AWEZNQCLSA-N 1 1 335.448 0.833 50 0 ECAAMO CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(C[NH+](C)C1)C2=O ZINC000000359984 285693851 /nfs/dbraw/zinc/69/38/51/285693851.db2.gz VDCREDRRGMYFQC-UHFFFAOYSA-N 1 1 340.420 0.326 50 0 ECAAMO CC[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735853 287134343 /nfs/dbraw/zinc/13/43/43/287134343.db2.gz KSGDTLNVTRVGQH-HZPDHXFCSA-N 1 1 337.464 0.958 50 0 ECAAMO Cn1ncc2c1nccc2N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000286090025 264369368 /nfs/dbraw/zinc/36/93/68/264369368.db2.gz DJIHLXZBNXMLNA-HNNXBMFYSA-N 1 1 328.420 0.711 50 0 ECAAMO COCC[NH+]1[C@H](C)CN(c2nc(C)c(S(N)(=O)=O)s2)C[C@H]1C ZINC000252481034 274035143 /nfs/dbraw/zinc/03/51/43/274035143.db2.gz CGXZCGXWSACBTR-NXEZZACHSA-N 1 1 348.494 0.644 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069777782 277316592 /nfs/dbraw/zinc/31/65/92/277316592.db2.gz STXVJZWWHLWFCQ-AWEZNQCLSA-N 1 1 349.431 0.543 50 0 ECAAMO CC(C)c1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C(C)C)c(=O)[nH]1 ZINC000091452262 278033208 /nfs/dbraw/zinc/03/32/08/278033208.db2.gz WLZCBOONVGXYKN-HIFRSBDPSA-N 1 1 348.447 0.670 50 0 ECAAMO CC(C)c1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C(C)C)c(=O)[nH]1 ZINC000091452262 278033209 /nfs/dbraw/zinc/03/32/09/278033209.db2.gz WLZCBOONVGXYKN-HIFRSBDPSA-N 1 1 348.447 0.670 50 0 ECAAMO CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC000071915319 281813260 /nfs/dbraw/zinc/81/32/60/281813260.db2.gz CGRMPGQTOXLVSE-IAGOWNOFSA-N 1 1 344.459 0.664 50 0 ECAAMO CN(C)S(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000136245351 289232613 /nfs/dbraw/zinc/23/26/13/289232613.db2.gz DZDAWSVCKLOPDD-HNNXBMFYSA-N 1 1 339.461 0.783 50 0 ECAAMO CN(C)S(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000136245351 289232617 /nfs/dbraw/zinc/23/26/17/289232617.db2.gz DZDAWSVCKLOPDD-HNNXBMFYSA-N 1 1 339.461 0.783 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cnc(N3CCCC3)nc2)C1 ZINC000097797691 295107957 /nfs/dbraw/zinc/10/79/57/295107957.db2.gz RYXNYHLZSLJREV-CYBMUJFWSA-N 1 1 346.435 0.004 50 0 ECAAMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000344606647 298042229 /nfs/dbraw/zinc/04/22/29/298042229.db2.gz PWSUZPZXWKBXTN-QLFBSQMISA-N 1 1 337.420 0.100 50 0 ECAAMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000344606653 298042324 /nfs/dbraw/zinc/04/23/24/298042324.db2.gz PWSUZPZXWKBXTN-RRFJBIMHSA-N 1 1 337.420 0.100 50 0 ECAAMO Cn1ccnc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000069661175 435958038 /nfs/dbraw/zinc/95/80/38/435958038.db2.gz VYRLAKCRTXYCET-MRXNPFEDSA-N 1 1 330.432 0.978 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cn1 ZINC000069773826 435964328 /nfs/dbraw/zinc/96/43/28/435964328.db2.gz BEHFZDHZDGRPRM-INIZCTEOSA-N 1 1 347.463 0.806 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cn1 ZINC000069773826 435964336 /nfs/dbraw/zinc/96/43/36/435964336.db2.gz BEHFZDHZDGRPRM-INIZCTEOSA-N 1 1 347.463 0.806 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000069774969 435965921 /nfs/dbraw/zinc/96/59/21/435965921.db2.gz WSJRTFWPMHZENJ-MGPQQGTHSA-N 1 1 345.509 0.893 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCOCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069820290 435968555 /nfs/dbraw/zinc/96/85/55/435968555.db2.gz LLSVZXOCOZEKGW-WMZOPIPTSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069820290 435968561 /nfs/dbraw/zinc/96/85/61/435968561.db2.gz LLSVZXOCOZEKGW-WMZOPIPTSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 ZINC000069847041 435971754 /nfs/dbraw/zinc/97/17/54/435971754.db2.gz YXYHZCUJLBDALK-CYBMUJFWSA-N 1 1 329.404 0.621 50 0 ECAAMO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069922816 435976967 /nfs/dbraw/zinc/97/69/67/435976967.db2.gz XLAPZZCGOXTJJA-LSDHHAIUSA-N 1 1 337.439 0.871 50 0 ECAAMO C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC000069921425 435977805 /nfs/dbraw/zinc/97/78/05/435977805.db2.gz VNCXFUTUQUVIPB-ZDUSSCGKSA-N 1 1 336.411 0.764 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000070021743 435983995 /nfs/dbraw/zinc/98/39/95/435983995.db2.gz XWEYLHYKGDFMHG-KRWDZBQOSA-N 1 1 346.475 0.334 50 0 ECAAMO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000069586965 435951410 /nfs/dbraw/zinc/95/14/10/435951410.db2.gz ZCQWJVACZQNVOX-ROKHWSDSSA-N 1 1 346.497 0.186 50 0 ECAAMO CC1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000069586965 435951414 /nfs/dbraw/zinc/95/14/14/435951414.db2.gz ZCQWJVACZQNVOX-ROKHWSDSSA-N 1 1 346.497 0.186 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)c1C ZINC000071711936 436008050 /nfs/dbraw/zinc/00/80/50/436008050.db2.gz RXCKSGQFQVWODR-HZPDHXFCSA-N 1 1 336.436 0.253 50 0 ECAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@@H](O)C1)N1CCOCC1 ZINC000071753396 436010916 /nfs/dbraw/zinc/01/09/16/436010916.db2.gz UBDAWHOGURBJLZ-CQSZACIVSA-N 1 1 344.415 0.763 50 0 ECAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](O)C1)N1CCOCC1 ZINC000071753396 436010925 /nfs/dbraw/zinc/01/09/25/436010925.db2.gz UBDAWHOGURBJLZ-CQSZACIVSA-N 1 1 344.415 0.763 50 0 ECAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000071870531 436020377 /nfs/dbraw/zinc/02/03/77/436020377.db2.gz CDSZOTKHNNDPGZ-GFCCVEGCSA-N 1 1 333.392 0.685 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)[C@@H]1C ZINC000071907373 436027862 /nfs/dbraw/zinc/02/78/62/436027862.db2.gz UJWTYPQIZQEWFF-KBXIAJHMSA-N 1 1 345.509 0.928 50 0 ECAAMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)[C@@H]1C ZINC000071907373 436027867 /nfs/dbraw/zinc/02/78/67/436027867.db2.gz UJWTYPQIZQEWFF-KBXIAJHMSA-N 1 1 345.509 0.928 50 0 ECAAMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCCOC)n1)C1CC1 ZINC000072314614 436042856 /nfs/dbraw/zinc/04/28/56/436042856.db2.gz RWWLSYYZJFHORS-UHFFFAOYSA-N 1 1 337.424 0.459 50 0 ECAAMO Cc1nn(C)c2ncnc(N[C@H]3COC[C@@H]3N3CC[NH+](C)CC3)c12 ZINC000072477477 436045879 /nfs/dbraw/zinc/04/58/79/436045879.db2.gz JDMYTUDDCYYYSS-STQMWFEESA-N 1 1 331.424 0.098 50 0 ECAAMO CC(C)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371058 436061977 /nfs/dbraw/zinc/06/19/77/436061977.db2.gz JMCXJFIIDPXGJB-QWRGUYRKSA-N 1 1 337.488 0.933 50 0 ECAAMO COc1ccccc1NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000024675424 436137280 /nfs/dbraw/zinc/13/72/80/436137280.db2.gz FTCQKGPNGFWMTO-UHFFFAOYSA-N 1 1 348.447 0.730 50 0 ECAAMO COc1ccccc1NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000024675424 436137285 /nfs/dbraw/zinc/13/72/85/436137285.db2.gz FTCQKGPNGFWMTO-UHFFFAOYSA-N 1 1 348.447 0.730 50 0 ECAAMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000025300729 436150998 /nfs/dbraw/zinc/15/09/98/436150998.db2.gz VGNWFCLSENMWDN-QGZVFWFLSA-N 1 1 347.459 0.631 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CSc3ccccc3O2)CC1 ZINC000075126267 436153269 /nfs/dbraw/zinc/15/32/69/436153269.db2.gz IVHDVZGYXHPJSQ-CQSZACIVSA-N 1 1 349.456 0.820 50 0 ECAAMO CNc1cc[nH+]c(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)n1 ZINC000077486765 436240064 /nfs/dbraw/zinc/24/00/64/436240064.db2.gz RZSLDOVZUYGMJC-CYBMUJFWSA-N 1 1 345.407 0.319 50 0 ECAAMO COCc1nc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000078788471 436277915 /nfs/dbraw/zinc/27/79/15/436277915.db2.gz DSPPUQMYYTUFDA-QWHCGFSZSA-N 1 1 325.434 0.961 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)no1 ZINC000078891129 436281006 /nfs/dbraw/zinc/28/10/06/436281006.db2.gz CSESXSRWYNKXJB-OAHLLOKOSA-N 1 1 344.419 0.596 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)no1 ZINC000078891129 436281010 /nfs/dbraw/zinc/28/10/10/436281010.db2.gz CSESXSRWYNKXJB-OAHLLOKOSA-N 1 1 344.419 0.596 50 0 ECAAMO O=C(CCO)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082109723 436360786 /nfs/dbraw/zinc/36/07/86/436360786.db2.gz WZXUAYOODNWRPB-OAHLLOKOSA-N 1 1 337.464 0.694 50 0 ECAAMO O=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)[C@H]1C[NH2+]CCO1 ZINC000082166196 436363111 /nfs/dbraw/zinc/36/31/11/436363111.db2.gz DRGDBOKXEJVVJD-QGZVFWFLSA-N 1 1 347.463 0.636 50 0 ECAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)C1=O ZINC000084597389 436381568 /nfs/dbraw/zinc/38/15/68/436381568.db2.gz FBJUQYKUNDHGHU-QGZVFWFLSA-N 1 1 330.388 0.690 50 0 ECAAMO COc1ccccc1OCC(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436647 436388209 /nfs/dbraw/zinc/38/82/09/436388209.db2.gz NFGNHXVDNVYFCJ-HNNXBMFYSA-N 1 1 334.416 0.989 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2snnc2C)C1 ZINC000092107920 436467273 /nfs/dbraw/zinc/46/72/73/436467273.db2.gz SKJFSFBVLGTVEE-CHWSQXEVSA-N 1 1 342.465 0.495 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)NS(C)(=O)=O)CC1 ZINC000048429039 436452672 /nfs/dbraw/zinc/45/26/72/436452672.db2.gz RYVPQIQVSCWFQS-AWEZNQCLSA-N 1 1 349.497 0.131 50 0 ECAAMO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ncnc2[nH]cnc21 ZINC000047404028 436416984 /nfs/dbraw/zinc/41/69/84/436416984.db2.gz STMABUBOVLGSIH-UHFFFAOYSA-N 1 1 329.408 0.532 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539526 436423179 /nfs/dbraw/zinc/42/31/79/436423179.db2.gz LYZQMJROOWUIEY-JTQLQIEISA-N 1 1 328.413 0.820 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539529 436423616 /nfs/dbraw/zinc/42/36/16/436423616.db2.gz LYZQMJROOWUIEY-SNVBAGLBSA-N 1 1 328.413 0.820 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)Nc3ccc(F)c(F)c3)C[C@@H]2O)CC1 ZINC000096138030 436515490 /nfs/dbraw/zinc/51/54/90/436515490.db2.gz WVIKNMULJGIFDI-GJZGRUSLSA-N 1 1 340.374 0.789 50 0 ECAAMO CC[NH+]1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 ZINC000096182045 436520235 /nfs/dbraw/zinc/52/02/35/436520235.db2.gz XIKNREKEJHDNOO-UHFFFAOYSA-N 1 1 331.376 0.812 50 0 ECAAMO O=C(CCN1CCOCC1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095506367 436497204 /nfs/dbraw/zinc/49/72/04/436497204.db2.gz JELZZPYZZVBGSX-GOSISDBHSA-N 1 1 347.459 0.414 50 0 ECAAMO Cc1nc2cc(C)ccn2c1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097805534 436544278 /nfs/dbraw/zinc/54/42/78/436544278.db2.gz MWHJPKCWXAEBBH-CQSZACIVSA-N 1 1 343.431 0.878 50 0 ECAAMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C1CC1 ZINC000058265837 436622711 /nfs/dbraw/zinc/62/27/11/436622711.db2.gz WYBWLRGKGNCFSU-UHFFFAOYSA-N 1 1 325.434 0.857 50 0 ECAAMO COc1c(CNCCC(=O)N(C)C2CC[NH+](C)CC2)c(C)nn1C ZINC000058411966 436624990 /nfs/dbraw/zinc/62/49/90/436624990.db2.gz NQSDHNONBXFTGB-UHFFFAOYSA-N 1 1 337.468 0.769 50 0 ECAAMO CC[C@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C[C@H](C)O ZINC000106906865 436605933 /nfs/dbraw/zinc/60/59/33/436605933.db2.gz RQJDQMYCOLYLPY-HOCLYGCPSA-N 1 1 337.468 0.156 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000107354790 436611971 /nfs/dbraw/zinc/61/19/71/436611971.db2.gz DCSCEDYFEVHONG-IJEWVQPXSA-N 1 1 335.448 0.567 50 0 ECAAMO CCn1cc(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000114330880 436640409 /nfs/dbraw/zinc/64/04/09/436640409.db2.gz HZQFUGKHWLMMSN-QGZVFWFLSA-N 1 1 349.479 0.770 50 0 ECAAMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000060908278 436634929 /nfs/dbraw/zinc/63/49/29/436634929.db2.gz IZRQCGIFUHXIIG-NWDGAFQWSA-N 1 1 342.440 0.213 50 0 ECAAMO CNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C2=CCC[N@@H+](C)C2)c1 ZINC000065393798 436657836 /nfs/dbraw/zinc/65/78/36/436657836.db2.gz JBLILCBDBCFQCX-LBPRGKRZSA-N 1 1 337.445 0.975 50 0 ECAAMO C[N@H+](CCC(=O)NCc1[nH]nc2c1CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000221312751 436701397 /nfs/dbraw/zinc/70/13/97/436701397.db2.gz NZOWTESLMUDCID-NSHDSACASA-N 1 1 340.449 0.024 50 0 ECAAMO C[N@@H+](CCC(=O)NCc1[nH]nc2c1CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000221312751 436701398 /nfs/dbraw/zinc/70/13/98/436701398.db2.gz NZOWTESLMUDCID-NSHDSACASA-N 1 1 340.449 0.024 50 0 ECAAMO Cc1nc(C2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)cc(=O)[nH]1 ZINC000222689989 436703591 /nfs/dbraw/zinc/70/35/91/436703591.db2.gz JVJVWJRRNKXPMG-UHFFFAOYSA-N 1 1 347.463 0.834 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000229310531 436714215 /nfs/dbraw/zinc/71/42/15/436714215.db2.gz OIVOYXZYWFWPRL-PWSUYJOCSA-N 1 1 339.417 0.750 50 0 ECAAMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000065587683 436667985 /nfs/dbraw/zinc/66/79/85/436667985.db2.gz VAJOYRJRMPWOQJ-LLVKDONJSA-N 1 1 328.413 0.951 50 0 ECAAMO CCn1c(CN2CCN(CCSC)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240163612 436757949 /nfs/dbraw/zinc/75/79/49/436757949.db2.gz JCICOLHQBFEFGP-OKILXGFUSA-N 1 1 338.525 0.983 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)N1CC(=O)Nc2ccccc21 ZINC000069511612 436778454 /nfs/dbraw/zinc/77/84/54/436778454.db2.gz XUJWYTDHZGMWOA-ZDUSSCGKSA-N 1 1 340.387 0.728 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)N1CC(=O)Nc2ccccc21 ZINC000069511612 436778458 /nfs/dbraw/zinc/77/84/58/436778458.db2.gz XUJWYTDHZGMWOA-ZDUSSCGKSA-N 1 1 340.387 0.728 50 0 ECAAMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000069533103 436779188 /nfs/dbraw/zinc/77/91/88/436779188.db2.gz LZBRJHIAZYGSER-QWRGUYRKSA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000069533103 436779191 /nfs/dbraw/zinc/77/91/91/436779191.db2.gz LZBRJHIAZYGSER-QWRGUYRKSA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)NCC2(OCCO)CCOCC2)C[N@H+]1C1CC1 ZINC000253394449 436841173 /nfs/dbraw/zinc/84/11/73/436841173.db2.gz DZLPVCNTXGZPTA-KGLIPLIRSA-N 1 1 341.452 0.469 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000252496465 436833413 /nfs/dbraw/zinc/83/34/13/436833413.db2.gz PJCVVVSPUYUMFL-KBPBESRZSA-N 1 1 348.447 0.621 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000252496465 436833419 /nfs/dbraw/zinc/83/34/19/436833419.db2.gz PJCVVVSPUYUMFL-KBPBESRZSA-N 1 1 348.447 0.621 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC000257366420 436876636 /nfs/dbraw/zinc/87/66/36/436876636.db2.gz XPDYTOILWRYMEF-RDTXWAMCSA-N 1 1 344.459 0.770 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000162697840 436910767 /nfs/dbraw/zinc/91/07/67/436910767.db2.gz OLPJWCXNFVWSHM-AWEZNQCLSA-N 1 1 325.453 0.957 50 0 ECAAMO CC(C)N1CC[NH+](CCCN2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000170607452 436946584 /nfs/dbraw/zinc/94/65/84/436946584.db2.gz NFNVFDBINTZJDB-UHFFFAOYSA-N 1 1 348.495 0.485 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)N1CCN(c2ncccn2)CC1 ZINC000426533777 438065626 /nfs/dbraw/zinc/06/56/26/438065626.db2.gz KSUPCSNBALTXIE-HNNXBMFYSA-N 1 1 348.451 0.013 50 0 ECAAMO Cn1cnnc1CCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426552124 438066633 /nfs/dbraw/zinc/06/66/33/438066633.db2.gz ZGRUISKYMDLJRD-HNNXBMFYSA-N 1 1 328.420 0.924 50 0 ECAAMO Cn1cnnc1CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426552124 438066637 /nfs/dbraw/zinc/06/66/37/438066637.db2.gz ZGRUISKYMDLJRD-HNNXBMFYSA-N 1 1 328.420 0.924 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000408520593 438581274 /nfs/dbraw/zinc/58/12/74/438581274.db2.gz NHCFDJJHZOVMPP-ZDUSSCGKSA-N 1 1 340.449 0.544 50 0 ECAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000534590147 439528455 /nfs/dbraw/zinc/52/84/55/439528455.db2.gz IDZZYYNGZIRSSY-IRXDYDNUSA-N 1 1 328.416 0.913 50 0 ECAAMO Cn1ncc(Cl)c1C(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000584889078 439624962 /nfs/dbraw/zinc/62/49/62/439624962.db2.gz ULKOCVUQOVUPRS-LBPRGKRZSA-N 1 1 326.828 0.992 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000189864425 534844756 /nfs/dbraw/zinc/84/47/56/534844756.db2.gz CJTRHQJUECXBLV-DZGCQCFKSA-N 1 1 348.378 0.537 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000189864425 534844757 /nfs/dbraw/zinc/84/47/57/534844757.db2.gz CJTRHQJUECXBLV-DZGCQCFKSA-N 1 1 348.378 0.537 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000244716079 536074326 /nfs/dbraw/zinc/07/43/26/536074326.db2.gz LHWSTZXAOPLMOB-UHFFFAOYSA-N 1 1 328.434 0.655 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCOc2ccc(CO)cc2C1 ZINC000244716079 536074329 /nfs/dbraw/zinc/07/43/29/536074329.db2.gz LHWSTZXAOPLMOB-UHFFFAOYSA-N 1 1 328.434 0.655 50 0 ECAAMO C[C@]1([C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)NC(=O)NC1=O ZINC000084668183 545712728 /nfs/dbraw/zinc/71/27/28/545712728.db2.gz DPRAAYWAAVANGR-BDJLRTHQSA-N 1 1 334.376 0.206 50 0 ECAAMO O=C(CCC(=O)NC1CCCC1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670451382 548014244 /nfs/dbraw/zinc/01/42/44/548014244.db2.gz BXPHFAZIRIOFFA-HNNXBMFYSA-N 1 1 325.453 0.788 50 0 ECAAMO COC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952965815 612138652 /nfs/dbraw/zinc/13/86/52/612138652.db2.gz UGVVAEQQOYMMFI-HOTGVXAUSA-N 1 1 333.432 0.558 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)C1 ZINC000952984232 612140245 /nfs/dbraw/zinc/14/02/45/612140245.db2.gz ZCOORHATSFHGIV-OLZOCXBDSA-N 1 1 347.419 0.086 50 0 ECAAMO OC[C@H]1CCCC[N@@H+]1CCNCc1cnc(N2CCOCC2)nc1 ZINC000952986374 612140344 /nfs/dbraw/zinc/14/03/44/612140344.db2.gz DOJQTIMWFFQVRU-MRXNPFEDSA-N 1 1 335.452 0.250 50 0 ECAAMO OC[C@H]1CCCC[N@H+]1CCNCc1cnc(N2CCOCC2)nc1 ZINC000952986374 612140345 /nfs/dbraw/zinc/14/03/45/612140345.db2.gz DOJQTIMWFFQVRU-MRXNPFEDSA-N 1 1 335.452 0.250 50 0 ECAAMO O=S1(=O)C[C@H](O)[C@@H](N2CC[NH+](C[C@H]3CCC=CCCC3)CC2)C1 ZINC000952992837 612140606 /nfs/dbraw/zinc/14/06/06/612140606.db2.gz SEGPOBYWWCEITN-ULQDDVLXSA-N 1 1 342.505 0.898 50 0 ECAAMO COCC[C@]1(CO)CCCN(C(=O)CC[N@H+]2CCCN(C)CC2)C1 ZINC000248137031 612719479 /nfs/dbraw/zinc/71/94/79/612719479.db2.gz OYTLOBNHYRXROH-GOSISDBHSA-N 1 1 341.496 0.652 50 0 ECAAMO COCC[C@]1(CO)CCCN(C(=O)CCN2CCC[N@H+](C)CC2)C1 ZINC000248137031 612719480 /nfs/dbraw/zinc/71/94/80/612719480.db2.gz OYTLOBNHYRXROH-GOSISDBHSA-N 1 1 341.496 0.652 50 0 ECAAMO COCC[C@]1(CO)CCCN(C(=O)CCN2CCC[N@@H+](C)CC2)C1 ZINC000248137031 612719481 /nfs/dbraw/zinc/71/94/81/612719481.db2.gz OYTLOBNHYRXROH-GOSISDBHSA-N 1 1 341.496 0.652 50 0 ECAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@]2(CO)C1 ZINC000675022369 741341764 /nfs/dbraw/zinc/34/17/64/741341764.db2.gz YQASHSQQQJYZOS-KGLIPLIRSA-N 1 1 330.475 0.824 50 0 ECAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1OC ZINC000056708750 214384972 /nfs/dbraw/zinc/38/49/72/214384972.db2.gz PRCKVXHOWQYENQ-UHFFFAOYSA-N 1 1 333.388 0.733 50 0 ECAAMO COc1cc(COC[C@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000019770999 202019471 /nfs/dbraw/zinc/01/94/71/202019471.db2.gz DHHNIMNDKODRPF-CQSZACIVSA-N 1 1 341.404 0.922 50 0 ECAAMO O=C(Cn1nnc(-c2ccccc2)n1)NCCC[NH+]1CCOCC1 ZINC000019932486 202027075 /nfs/dbraw/zinc/02/70/75/202027075.db2.gz HMUTXUJMTAKHOQ-UHFFFAOYSA-N 1 1 330.392 0.179 50 0 ECAAMO Cn1cnc(-c2noc(C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)n2)c1 ZINC000020419438 202042256 /nfs/dbraw/zinc/04/22/56/202042256.db2.gz PXXIFUNBTPPDCD-CYBMUJFWSA-N 1 1 330.392 0.756 50 0 ECAAMO Cn1cnc(-c2noc(C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)n2)c1 ZINC000020419438 202042258 /nfs/dbraw/zinc/04/22/58/202042258.db2.gz PXXIFUNBTPPDCD-CYBMUJFWSA-N 1 1 330.392 0.756 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000020624228 202051258 /nfs/dbraw/zinc/05/12/58/202051258.db2.gz YZNSNFMAGJRVHQ-UHFFFAOYSA-N 1 1 330.388 0.945 50 0 ECAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)NC[C@@H]1COc2ccccc2O1 ZINC000028078564 202163886 /nfs/dbraw/zinc/16/38/86/202163886.db2.gz GTQMYZSUJAZGET-CQSZACIVSA-N 1 1 348.399 0.782 50 0 ECAAMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187214005 236148425 /nfs/dbraw/zinc/14/84/25/236148425.db2.gz FHLIPGWLORIQON-CYBMUJFWSA-N 1 1 337.468 0.989 50 0 ECAAMO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069445274 202282203 /nfs/dbraw/zinc/28/22/03/202282203.db2.gz PUZOTHFONLPDTE-JYJNAYRXSA-N 1 1 325.409 0.140 50 0 ECAAMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000069445274 202282206 /nfs/dbraw/zinc/28/22/06/202282206.db2.gz PUZOTHFONLPDTE-JYJNAYRXSA-N 1 1 325.409 0.140 50 0 ECAAMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254175 202358955 /nfs/dbraw/zinc/35/89/55/202358955.db2.gz RDVZGLWADIVRQA-CQSZACIVSA-N 1 1 329.466 0.355 50 0 ECAAMO C[C@H](NC(=O)CN1CCOCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279784300 201322411 /nfs/dbraw/zinc/32/24/11/201322411.db2.gz HSAHDKIYRZGSSP-DOTOQJQBSA-N 1 1 345.443 0.872 50 0 ECAAMO CS(=O)(=O)c1cccc(NC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000298482938 201352916 /nfs/dbraw/zinc/35/29/16/201352916.db2.gz WQBQVILEJMWDKX-UHFFFAOYSA-N 1 1 341.433 0.934 50 0 ECAAMO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000215114141 241107786 /nfs/dbraw/zinc/10/77/86/241107786.db2.gz HFJZDUKWXIWHEA-AWEZNQCLSA-N 1 1 340.445 0.807 50 0 ECAAMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000215114141 241107794 /nfs/dbraw/zinc/10/77/94/241107794.db2.gz HFJZDUKWXIWHEA-AWEZNQCLSA-N 1 1 340.445 0.807 50 0 ECAAMO CN(C)c1ncc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3C)cn1 ZINC000216534949 241202225 /nfs/dbraw/zinc/20/22/25/241202225.db2.gz OCVJBOKWXFNHPN-UHFFFAOYSA-N 1 1 332.408 0.401 50 0 ECAAMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1 ZINC000219211343 241369677 /nfs/dbraw/zinc/36/96/77/241369677.db2.gz IHVIDLJVAVUZJD-IAGOWNOFSA-N 1 1 333.432 0.314 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000219309136 241377566 /nfs/dbraw/zinc/37/75/66/241377566.db2.gz YANSZMHHBIROAA-GFCCVEGCSA-N 1 1 335.339 0.487 50 0 ECAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795472 242202005 /nfs/dbraw/zinc/20/20/05/242202005.db2.gz ZNXUSPBSDMRNQO-MJBXVCDLSA-N 1 1 346.497 0.281 50 0 ECAAMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795472 242202011 /nfs/dbraw/zinc/20/20/11/242202011.db2.gz ZNXUSPBSDMRNQO-MJBXVCDLSA-N 1 1 346.497 0.281 50 0 ECAAMO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000242147473 243009809 /nfs/dbraw/zinc/00/98/09/243009809.db2.gz WSDQODVPQYDMQW-GFCCVEGCSA-N 1 1 341.433 0.032 50 0 ECAAMO CC(C)NC(=O)CN1CC[NH+](CCC(=O)NCc2ccco2)CC1 ZINC000065410351 202845732 /nfs/dbraw/zinc/84/57/32/202845732.db2.gz KWGGIIYSURXJQI-UHFFFAOYSA-N 1 1 336.436 0.428 50 0 ECAAMO CCNC(=O)NC(=O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069456183 203002779 /nfs/dbraw/zinc/00/27/79/203002779.db2.gz CBBIKYHCPLOWOH-OKILXGFUSA-N 1 1 340.468 0.653 50 0 ECAAMO CNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000069567185 203020378 /nfs/dbraw/zinc/02/03/78/203020378.db2.gz SDEGDMCATMWQRH-CYBMUJFWSA-N 1 1 334.420 0.829 50 0 ECAAMO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000069598123 203024540 /nfs/dbraw/zinc/02/45/40/203024540.db2.gz ANRBDQNQOMBXQB-INIZCTEOSA-N 1 1 347.463 0.977 50 0 ECAAMO CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cn1 ZINC000069598123 203024544 /nfs/dbraw/zinc/02/45/44/203024544.db2.gz ANRBDQNQOMBXQB-INIZCTEOSA-N 1 1 347.463 0.977 50 0 ECAAMO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000069562284 203019013 /nfs/dbraw/zinc/01/90/13/203019013.db2.gz NOFSOJNRUGEQMT-AWEZNQCLSA-N 1 1 340.420 0.625 50 0 ECAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000069562284 203019016 /nfs/dbraw/zinc/01/90/16/203019016.db2.gz NOFSOJNRUGEQMT-AWEZNQCLSA-N 1 1 340.420 0.625 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCc2nnnn2-c2ccccc2)CC1 ZINC000069779010 203050195 /nfs/dbraw/zinc/05/01/95/203050195.db2.gz HCAXXVSXRGKUAT-AWEZNQCLSA-N 1 1 344.419 0.120 50 0 ECAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000069778435 203050734 /nfs/dbraw/zinc/05/07/34/203050734.db2.gz BXMVREFCKSSPGP-GFCCVEGCSA-N 1 1 346.387 0.669 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000069968217 203066477 /nfs/dbraw/zinc/06/64/77/203066477.db2.gz VJMQVMVOFWPMKP-AWEZNQCLSA-N 1 1 329.404 0.465 50 0 ECAAMO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1 ZINC000069951806 203066494 /nfs/dbraw/zinc/06/64/94/203066494.db2.gz LPAXXFKHSKYGEP-ZDUSSCGKSA-N 1 1 340.449 0.160 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000070040028 203071802 /nfs/dbraw/zinc/07/18/02/203071802.db2.gz FKXROQQDYPTNBX-NSHDSACASA-N 1 1 334.342 0.817 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000071864235 203131959 /nfs/dbraw/zinc/13/19/59/203131959.db2.gz HVBDYVWBCTUZNC-JKSUJKDBSA-N 1 1 349.475 0.741 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000071879589 203133993 /nfs/dbraw/zinc/13/39/93/203133993.db2.gz SQEYPGCWXLHVOY-UONOGXRCSA-N 1 1 330.432 0.853 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072137352 203167726 /nfs/dbraw/zinc/16/77/26/203167726.db2.gz BDBHSBZJFKDSRB-CYBMUJFWSA-N 1 1 334.420 0.891 50 0 ECAAMO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000072145631 203169677 /nfs/dbraw/zinc/16/96/77/203169677.db2.gz RXCFZVMOXDBQHL-MLGOLLRUSA-N 1 1 349.431 0.630 50 0 ECAAMO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC(=O)NC2CC2)CC1 ZINC000071920053 203150204 /nfs/dbraw/zinc/15/02/04/203150204.db2.gz GLLKWESWUYYWQO-UHFFFAOYSA-N 1 1 338.496 0.681 50 0 ECAAMO CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)cc1 ZINC000072453989 203226877 /nfs/dbraw/zinc/22/68/77/203226877.db2.gz WIVCMCQKGKRFMZ-UONOGXRCSA-N 1 1 337.445 0.647 50 0 ECAAMO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)NC1=O ZINC000072426397 203222102 /nfs/dbraw/zinc/22/21/02/203222102.db2.gz QRAASPKKVDDMNA-OAHLLOKOSA-N 1 1 334.395 0.884 50 0 ECAAMO CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)NC1=O ZINC000072426397 203222105 /nfs/dbraw/zinc/22/21/05/203222105.db2.gz QRAASPKKVDDMNA-OAHLLOKOSA-N 1 1 334.395 0.884 50 0 ECAAMO Cc1csc(=O)n1CCC(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040490405 203254347 /nfs/dbraw/zinc/25/43/47/203254347.db2.gz CSUTYAMVWLMLPI-CHWSQXEVSA-N 1 1 327.450 0.834 50 0 ECAAMO COCCN1CC[C@@]2(CN(c3nccc(N)n3)CC[N@H+]2C)CCC1=O ZINC000107685418 204243418 /nfs/dbraw/zinc/24/34/18/204243418.db2.gz UORIELSYJHPDDL-QGZVFWFLSA-N 1 1 348.451 0.208 50 0 ECAAMO NC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000176721059 207253568 /nfs/dbraw/zinc/25/35/68/207253568.db2.gz UMAXFHUNCINNFP-HNNXBMFYSA-N 1 1 328.372 0.953 50 0 ECAAMO NC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000176721059 207253571 /nfs/dbraw/zinc/25/35/71/207253571.db2.gz UMAXFHUNCINNFP-HNNXBMFYSA-N 1 1 328.372 0.953 50 0 ECAAMO CCC(=O)N1CC[N@@H+](Cc2cccc(N3CCOCC3)c2)C[C@H](O)C1 ZINC000097529048 219033287 /nfs/dbraw/zinc/03/32/87/219033287.db2.gz CPOQKJAXWLPFES-SFHVURJKSA-N 1 1 347.459 0.938 50 0 ECAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299781896 258090812 /nfs/dbraw/zinc/09/08/12/258090812.db2.gz FKWQGPKCKJHRCU-CQSZACIVSA-N 1 1 342.399 0.615 50 0 ECAAMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)c(=O)[nH]c1=O ZINC000299789239 258095521 /nfs/dbraw/zinc/09/55/21/258095521.db2.gz VAPHBUNVLWGTRO-LBPRGKRZSA-N 1 1 334.420 0.870 50 0 ECAAMO Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000299790216 258096385 /nfs/dbraw/zinc/09/63/85/258096385.db2.gz BAUVFJZDHFSAES-AWEZNQCLSA-N 1 1 333.436 0.665 50 0 ECAAMO Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000299790216 258096387 /nfs/dbraw/zinc/09/63/87/258096387.db2.gz BAUVFJZDHFSAES-AWEZNQCLSA-N 1 1 333.436 0.665 50 0 ECAAMO CN(CC1(CO)CC1)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299793663 258098757 /nfs/dbraw/zinc/09/87/57/258098757.db2.gz IIUDYQFKIGHPAU-LBPRGKRZSA-N 1 1 334.420 0.370 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2cnc(SC)[nH]c2=O)C1 ZINC000299798199 258102337 /nfs/dbraw/zinc/10/23/37/258102337.db2.gz REHYASZNBQATLB-NSHDSACASA-N 1 1 340.449 0.944 50 0 ECAAMO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000229265233 135593818 /nfs/dbraw/zinc/59/38/18/135593818.db2.gz LUMZFCJWVOLNKP-UONOGXRCSA-N 1 1 348.422 0.670 50 0 ECAAMO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)c1 ZINC000014747397 292084160 /nfs/dbraw/zinc/08/41/60/292084160.db2.gz OJMHRUAAOYNQOZ-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO Cc1ccc(C)c(C[N@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)c1 ZINC000014747397 292084162 /nfs/dbraw/zinc/08/41/62/292084162.db2.gz OJMHRUAAOYNQOZ-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 ZINC000063884077 296609067 /nfs/dbraw/zinc/60/90/67/296609067.db2.gz IAJDAGSHUQEPNF-CQSZACIVSA-N 1 1 339.461 0.577 50 0 ECAAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000071905621 286809388 /nfs/dbraw/zinc/80/93/88/286809388.db2.gz CVUCWCLAUKHHKT-UONOGXRCSA-N 1 1 347.481 0.028 50 0 ECAAMO CC[N@@H+]1CCO[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000096444781 276208941 /nfs/dbraw/zinc/20/89/41/276208941.db2.gz GGPZGWBXOJUMAK-VIFPVBQESA-N 1 1 333.314 0.360 50 0 ECAAMO CC[N@H+]1CCO[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000096444781 276208942 /nfs/dbraw/zinc/20/89/42/276208942.db2.gz GGPZGWBXOJUMAK-VIFPVBQESA-N 1 1 333.314 0.360 50 0 ECAAMO CCOCC[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@H]1CC ZINC000069698105 276322575 /nfs/dbraw/zinc/32/25/75/276322575.db2.gz PRRJZAXETITAJB-GFCCVEGCSA-N 1 1 327.454 0.909 50 0 ECAAMO CSCCC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091624867 278127871 /nfs/dbraw/zinc/12/78/71/278127871.db2.gz MOPVJYHPCMNQJM-LXTVHRRPSA-N 1 1 330.494 0.916 50 0 ECAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n1 ZINC000091662953 281193033 /nfs/dbraw/zinc/19/30/33/281193033.db2.gz YHRHZDSQGNNIDL-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1 ZINC000091662953 281193035 /nfs/dbraw/zinc/19/30/35/281193035.db2.gz YHRHZDSQGNNIDL-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1 ZINC000091662953 281193039 /nfs/dbraw/zinc/19/30/39/281193039.db2.gz YHRHZDSQGNNIDL-IAGOWNOFSA-N 1 1 346.475 0.708 50 0 ECAAMO CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)S(C)(=O)=O ZINC000047454967 289352602 /nfs/dbraw/zinc/35/26/02/289352602.db2.gz FELPNTGBBLIUCA-CYBMUJFWSA-N 1 1 347.868 0.950 50 0 ECAAMO Cc1cscc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333104764 297109969 /nfs/dbraw/zinc/10/99/69/297109969.db2.gz FKMFFKXOOXKTCS-UHFFFAOYSA-N 1 1 344.462 0.508 50 0 ECAAMO CC[C@H]1CN(CC(=O)Nc2nnc(C)s2)CC[N@H+]1CCOC ZINC000069739849 435961734 /nfs/dbraw/zinc/96/17/34/435961734.db2.gz NUPDKARWYVIYDP-LBPRGKRZSA-N 1 1 327.454 0.828 50 0 ECAAMO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000002150819 435963564 /nfs/dbraw/zinc/96/35/64/435963564.db2.gz BPSWLWCASKMLQS-CHWSQXEVSA-N 1 1 335.404 0.258 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCCNC3=O)C2=O)cc1 ZINC000004648254 435980217 /nfs/dbraw/zinc/98/02/17/435980217.db2.gz UOWZAKXMDIPAKU-KBPBESRZSA-N 1 1 331.372 0.585 50 0 ECAAMO COCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148150 435983004 /nfs/dbraw/zinc/98/30/04/435983004.db2.gz KNGNPFGQPYYEAG-UHFFFAOYSA-N 1 1 348.407 0.302 50 0 ECAAMO CC(C)=CCn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000189485 435949497 /nfs/dbraw/zinc/94/94/97/435949497.db2.gz ZRWQOYZZIRVREV-UHFFFAOYSA-N 1 1 332.408 0.141 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000069617766 435951160 /nfs/dbraw/zinc/95/11/60/435951160.db2.gz NXRFLQIUDWPMEE-AWEZNQCLSA-N 1 1 346.435 0.347 50 0 ECAAMO CC[C@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000072279782 436038328 /nfs/dbraw/zinc/03/83/28/436038328.db2.gz RQJDQMYCOLYLPY-ZBFHGGJFSA-N 1 1 337.468 0.156 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000072279885 436038466 /nfs/dbraw/zinc/03/84/66/436038466.db2.gz LYEFRLDZIMNTAP-UKRRQHHQSA-N 1 1 335.452 0.956 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000072279885 436038471 /nfs/dbraw/zinc/03/84/71/436038471.db2.gz LYEFRLDZIMNTAP-UKRRQHHQSA-N 1 1 335.452 0.956 50 0 ECAAMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269340 436039994 /nfs/dbraw/zinc/03/99/94/436039994.db2.gz IKXLZWXRJWKKTD-VGWMRTNUSA-N 1 1 326.437 0.628 50 0 ECAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010329060 436040288 /nfs/dbraw/zinc/04/02/88/436040288.db2.gz JMRIFVJYQRAHJF-UHFFFAOYSA-N 1 1 334.380 0.149 50 0 ECAAMO COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000012711692 436054540 /nfs/dbraw/zinc/05/45/40/436054540.db2.gz ISYUDORGTVOKNP-CYBMUJFWSA-N 1 1 327.425 0.292 50 0 ECAAMO Cc1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1C ZINC000013721159 436064835 /nfs/dbraw/zinc/06/48/35/436064835.db2.gz MEHRWRAKTLBAJS-HNNXBMFYSA-N 1 1 343.431 0.734 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026480836 436163810 /nfs/dbraw/zinc/16/38/10/436163810.db2.gz CJHLJLFZUFRQJI-OAHLLOKOSA-N 1 1 347.415 0.847 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026480836 436163816 /nfs/dbraw/zinc/16/38/16/436163816.db2.gz CJHLJLFZUFRQJI-OAHLLOKOSA-N 1 1 347.415 0.847 50 0 ECAAMO Cc1c[nH]c(=O)n1-c1cccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000075602982 436167677 /nfs/dbraw/zinc/16/76/77/436167677.db2.gz YYKVTUJKYHEVNK-AWEZNQCLSA-N 1 1 344.415 0.613 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@@H]2C)CC1 ZINC000076055932 436189081 /nfs/dbraw/zinc/18/90/81/436189081.db2.gz DRSCLXJZJKUQKN-YOEHRIQHSA-N 1 1 348.447 0.380 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@@H]2C)CC1 ZINC000076055932 436189088 /nfs/dbraw/zinc/18/90/88/436189088.db2.gz DRSCLXJZJKUQKN-YOEHRIQHSA-N 1 1 348.447 0.380 50 0 ECAAMO CC(C)n1nc2c(cc1=O)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000076064867 436191032 /nfs/dbraw/zinc/19/10/32/436191032.db2.gz IYILJLQTVODFAZ-UHFFFAOYSA-N 1 1 347.419 0.513 50 0 ECAAMO CC(C)n1nc2c(cc1=O)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000076064867 436191036 /nfs/dbraw/zinc/19/10/36/436191036.db2.gz IYILJLQTVODFAZ-UHFFFAOYSA-N 1 1 347.419 0.513 50 0 ECAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](CC(N)=O)C3)CCC2=O)cn1 ZINC000077287807 436232086 /nfs/dbraw/zinc/23/20/86/436232086.db2.gz NZLQUHAAHSZMGU-QGZVFWFLSA-N 1 1 331.420 0.475 50 0 ECAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](CC(N)=O)C3)CCC2=O)cn1 ZINC000077287807 436232089 /nfs/dbraw/zinc/23/20/89/436232089.db2.gz NZLQUHAAHSZMGU-QGZVFWFLSA-N 1 1 331.420 0.475 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000078896298 436283020 /nfs/dbraw/zinc/28/30/20/436283020.db2.gz KLAOTTGSMSOGTR-QAPCUYQASA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000078896298 436283024 /nfs/dbraw/zinc/28/30/24/436283024.db2.gz KLAOTTGSMSOGTR-QAPCUYQASA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000078896298 436283027 /nfs/dbraw/zinc/28/30/27/436283027.db2.gz KLAOTTGSMSOGTR-QAPCUYQASA-N 1 1 346.475 0.760 50 0 ECAAMO Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044916281 436353970 /nfs/dbraw/zinc/35/39/70/436353970.db2.gz ILYUXICMEZHYHB-GOEBONIOSA-N 1 1 337.420 0.687 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000044913791 436353345 /nfs/dbraw/zinc/35/33/45/436353345.db2.gz JNYSKECXLZWMRN-UHFFFAOYSA-N 1 1 347.415 0.788 50 0 ECAAMO Cc1noc(C)c1CC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044916272 436353613 /nfs/dbraw/zinc/35/36/13/436353613.db2.gz ILYUXICMEZHYHB-GDBMZVCRSA-N 1 1 337.420 0.687 50 0 ECAAMO [NH3+]C[C@H](O)CC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000082162171 436362607 /nfs/dbraw/zinc/36/26/07/436362607.db2.gz UOOHPFHUYIUVEO-QGZVFWFLSA-N 1 1 349.479 0.747 50 0 ECAAMO Cc1ccc(NCCCNC(=O)NC[C@H]2CCS(=O)(=O)C2)[nH+]c1 ZINC000045674219 436372723 /nfs/dbraw/zinc/37/27/23/436372723.db2.gz VHCGKXOGVYFRKY-CYBMUJFWSA-N 1 1 340.449 0.926 50 0 ECAAMO CC[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735854 436383654 /nfs/dbraw/zinc/38/36/54/436383654.db2.gz KSGDTLNVTRVGQH-JKSUJKDBSA-N 1 1 337.464 0.958 50 0 ECAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)COc1ccc(F)cc1 ZINC000085469989 436390149 /nfs/dbraw/zinc/39/01/49/436390149.db2.gz ZYHAHYXCOFZUFQ-AWEZNQCLSA-N 1 1 326.368 0.356 50 0 ECAAMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)C2CC2)CC1 ZINC000046602650 436398453 /nfs/dbraw/zinc/39/84/53/436398453.db2.gz LCXCHLCGIFRZDE-UHFFFAOYSA-N 1 1 329.408 0.106 50 0 ECAAMO CC(C)C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)[NH+]1CCOCC1 ZINC000044967762 436357238 /nfs/dbraw/zinc/35/72/38/436357238.db2.gz ZFIKIKPMFFPOLT-KGLIPLIRSA-N 1 1 338.456 0.922 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000048251894 436446680 /nfs/dbraw/zinc/44/66/80/436446680.db2.gz XNWNPZSOJOHKSW-UHFFFAOYSA-N 1 1 344.415 0.728 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@@H]1CO ZINC000091326632 436449122 /nfs/dbraw/zinc/44/91/22/436449122.db2.gz VEQDXMUDQJMIRI-ZIAGYGMSSA-N 1 1 341.477 0.375 50 0 ECAAMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091254551 436449188 /nfs/dbraw/zinc/44/91/88/436449188.db2.gz QESDJUBMRSCUFM-MRXNPFEDSA-N 1 1 344.477 0.525 50 0 ECAAMO Cc1nn(C)cc1C(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091426290 436450773 /nfs/dbraw/zinc/45/07/73/436450773.db2.gz QFVRQEYVMZZTPT-CABCVRRESA-N 1 1 336.436 0.131 50 0 ECAAMO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091550823 436453147 /nfs/dbraw/zinc/45/31/47/436453147.db2.gz PCWRZLSNIUJCRY-IAGOWNOFSA-N 1 1 335.496 0.325 50 0 ECAAMO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091550823 436453151 /nfs/dbraw/zinc/45/31/51/436453151.db2.gz PCWRZLSNIUJCRY-IAGOWNOFSA-N 1 1 335.496 0.325 50 0 ECAAMO COc1cccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000091626135 436455354 /nfs/dbraw/zinc/45/53/54/436455354.db2.gz RGQYNDZFZQOVGP-HZPDHXFCSA-N 1 1 334.416 0.708 50 0 ECAAMO COCCC[N@H+]1C[C@H](NC(=O)Cc2cnc(C)[nH]c2=O)[C@@H](C2CC2)C1 ZINC000091877026 436462473 /nfs/dbraw/zinc/46/24/73/436462473.db2.gz YNJLMXLZMJJNJQ-CVEARBPZSA-N 1 1 348.447 0.484 50 0 ECAAMO CNC(=O)COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000089938474 436421466 /nfs/dbraw/zinc/42/14/66/436421466.db2.gz DFBHGFTZBSEYSR-GFCCVEGCSA-N 1 1 335.404 0.596 50 0 ECAAMO CNC(=O)COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000089938474 436421471 /nfs/dbraw/zinc/42/14/71/436421471.db2.gz DFBHGFTZBSEYSR-GFCCVEGCSA-N 1 1 335.404 0.596 50 0 ECAAMO CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000096137395 436515160 /nfs/dbraw/zinc/51/51/60/436515160.db2.gz WEDBIKKIKNLLHY-FZKQIMNGSA-N 1 1 331.464 0.788 50 0 ECAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000051201038 436485905 /nfs/dbraw/zinc/48/59/05/436485905.db2.gz JLJPOJJTBJRCTF-LBPRGKRZSA-N 1 1 325.409 0.982 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000095358717 436491183 /nfs/dbraw/zinc/49/11/83/436491183.db2.gz FVHXUCFEVUGCAP-ZDUSSCGKSA-N 1 1 334.424 0.354 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)nnn3C)[C@H](C)C1 ZINC000095460249 436493516 /nfs/dbraw/zinc/49/35/16/436493516.db2.gz HYIXEINRBKGGPH-GFCCVEGCSA-N 1 1 345.403 0.678 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c(c2)nnn3C)[C@H](C)C1 ZINC000095460249 436493523 /nfs/dbraw/zinc/49/35/23/436493523.db2.gz HYIXEINRBKGGPH-GFCCVEGCSA-N 1 1 345.403 0.678 50 0 ECAAMO Cn1ncc2cnn(C[C@H](O)C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000095438880 436494827 /nfs/dbraw/zinc/49/48/27/436494827.db2.gz KFVPUIZCYDMZHJ-OAHLLOKOSA-N 1 1 327.388 0.623 50 0 ECAAMO Cn1cc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)[NH+](C)C)cn1 ZINC000096410778 436532476 /nfs/dbraw/zinc/53/24/76/436532476.db2.gz NGTHSPHLLDQUOI-CQSZACIVSA-N 1 1 333.367 0.917 50 0 ECAAMO CNS(=O)(=O)CCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000096424296 436533319 /nfs/dbraw/zinc/53/33/19/436533319.db2.gz LLPQEYWWIRSMDQ-AWEZNQCLSA-N 1 1 326.466 0.700 50 0 ECAAMO CNS(=O)(=O)CCC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000096424296 436533323 /nfs/dbraw/zinc/53/33/23/436533323.db2.gz LLPQEYWWIRSMDQ-AWEZNQCLSA-N 1 1 326.466 0.700 50 0 ECAAMO O=C(c1nc[nH]n1)N1CC[N@H+](C2Cc3ccccc3C2)C[C@H](O)C1 ZINC000097743595 436544060 /nfs/dbraw/zinc/54/40/60/436544060.db2.gz ULZQVHWSMGEBSH-HNNXBMFYSA-N 1 1 327.388 0.091 50 0 ECAAMO COCC[N@H+]1CCC2(CCN(C(=O)CSC)CC2)[C@H](CO)C1 ZINC000097773050 436544474 /nfs/dbraw/zinc/54/44/74/436544474.db2.gz CRSGLNIDYJIDQN-AWEZNQCLSA-N 1 1 330.494 0.919 50 0 ECAAMO Cc1csc2nc(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cc(=O)n12 ZINC000106867972 436603216 /nfs/dbraw/zinc/60/32/16/436603216.db2.gz ZQHGODBJOZKUHV-AAEUAGOBSA-N 1 1 336.461 0.951 50 0 ECAAMO CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106867580 436604349 /nfs/dbraw/zinc/60/43/49/436604349.db2.gz DGNMPNTZJMXLGQ-STQMWFEESA-N 1 1 342.440 0.674 50 0 ECAAMO CC[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000106906805 436605107 /nfs/dbraw/zinc/60/51/07/436605107.db2.gz BTGKTYVLBRGJTE-QWHCGFSZSA-N 1 1 326.441 0.094 50 0 ECAAMO CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@H]3C)cc21 ZINC000107142650 436608956 /nfs/dbraw/zinc/60/89/56/436608956.db2.gz QTWYQWADRQKESP-IAQYHMDHSA-N 1 1 337.445 0.824 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccccc2)c(=O)[nH]c1=O ZINC000058167688 436620492 /nfs/dbraw/zinc/62/04/92/436620492.db2.gz CQEDMPCPQMUOCS-UHFFFAOYSA-N 1 1 330.388 0.844 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2)c(=O)[nH]c1=O ZINC000058167688 436620493 /nfs/dbraw/zinc/62/04/93/436620493.db2.gz CQEDMPCPQMUOCS-UHFFFAOYSA-N 1 1 330.388 0.844 50 0 ECAAMO Cc1ccc(-c2nnc(C[NH2+]CCSc3nnnn3C)o2)n1C ZINC000065371888 436655043 /nfs/dbraw/zinc/65/50/43/436655043.db2.gz XCTUHCGCODGKAO-UHFFFAOYSA-N 1 1 334.409 0.789 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1S(=O)(=O)c1ccccc1OC ZINC000065403349 436657304 /nfs/dbraw/zinc/65/73/04/436657304.db2.gz GSYGNQFLGHLZJP-NEPJUHHUSA-N 1 1 342.417 0.561 50 0 ECAAMO Cc1csc(CCNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000220029408 436696663 /nfs/dbraw/zinc/69/66/63/436696663.db2.gz RMGUGSZUZKPJDU-GFCCVEGCSA-N 1 1 345.490 0.619 50 0 ECAAMO Cc1csc(CCNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000220029408 436696666 /nfs/dbraw/zinc/69/66/66/436696666.db2.gz RMGUGSZUZKPJDU-GFCCVEGCSA-N 1 1 345.490 0.619 50 0 ECAAMO CN(Cc1nnc(C2CC2)o1)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000221795033 436700531 /nfs/dbraw/zinc/70/05/31/436700531.db2.gz GDNSFCGSCFHIOF-HUUCEWRRSA-N 1 1 346.435 0.711 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000221796925 436700897 /nfs/dbraw/zinc/70/08/97/436700897.db2.gz XZXYTNIBZCKFNY-UPJWGTAASA-N 1 1 349.435 0.372 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000221796925 436700899 /nfs/dbraw/zinc/70/08/99/436700899.db2.gz XZXYTNIBZCKFNY-UPJWGTAASA-N 1 1 349.435 0.372 50 0 ECAAMO Cc1c[nH]c(C(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)n1 ZINC000223682840 436707723 /nfs/dbraw/zinc/70/77/23/436707723.db2.gz FWIQIUBLRFNKLL-UHFFFAOYSA-N 1 1 340.449 0.490 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000229307237 436715255 /nfs/dbraw/zinc/71/52/55/436715255.db2.gz YUMWZDKTLOFIDU-WMLDXEAASA-N 1 1 332.448 0.370 50 0 ECAAMO CN1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@@H]2C1 ZINC000065470370 436662703 /nfs/dbraw/zinc/66/27/03/436662703.db2.gz GRDZGMOMOGATLL-SFHVURJKSA-N 1 1 328.460 0.851 50 0 ECAAMO Cn1c(C[N@H+](CCC2CCCCC2)CC(N)=O)cc(=O)n(C)c1=O ZINC000065609237 436669139 /nfs/dbraw/zinc/66/91/39/436669139.db2.gz QQBGBRIDMHUDAS-UHFFFAOYSA-N 1 1 336.436 0.342 50 0 ECAAMO Cn1c(C[N@@H+](CCC2CCCCC2)CC(N)=O)cc(=O)n(C)c1=O ZINC000065609237 436669144 /nfs/dbraw/zinc/66/91/44/436669144.db2.gz QQBGBRIDMHUDAS-UHFFFAOYSA-N 1 1 336.436 0.342 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000065607601 436669198 /nfs/dbraw/zinc/66/91/98/436669198.db2.gz YHOHMGXMRHIHLW-CABZTGNLSA-N 1 1 337.355 0.605 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000065607601 436669201 /nfs/dbraw/zinc/66/92/01/436669201.db2.gz YHOHMGXMRHIHLW-CABZTGNLSA-N 1 1 337.355 0.605 50 0 ECAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+](C)CCO)C2=O)c1 ZINC000067674434 436719944 /nfs/dbraw/zinc/71/99/44/436719944.db2.gz MRHUCDRBQGVCNU-KRWDZBQOSA-N 1 1 340.395 0.612 50 0 ECAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccco2)C1)C(=O)N1CCOCC1 ZINC000067675343 436720041 /nfs/dbraw/zinc/72/00/41/436720041.db2.gz VSBKGVCADWYYMI-CQSZACIVSA-N 1 1 335.404 0.467 50 0 ECAAMO O=C(c1ccc(F)c(F)c1F)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067713195 436720808 /nfs/dbraw/zinc/72/08/08/436720808.db2.gz DJPGHWKXNLOOBO-UHFFFAOYSA-N 1 1 327.306 0.798 50 0 ECAAMO CCc1noc(-c2ccc(CCNC(=O)[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000237075491 436722217 /nfs/dbraw/zinc/72/22/17/436722217.db2.gz FIJVRXOKSLJZIP-AWEZNQCLSA-N 1 1 330.388 0.946 50 0 ECAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000067819228 436724931 /nfs/dbraw/zinc/72/49/31/436724931.db2.gz MXXWZXJSMYVHLF-CQSZACIVSA-N 1 1 333.436 0.775 50 0 ECAAMO COc1ccc(CN2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)cc1F ZINC000237300920 436728913 /nfs/dbraw/zinc/72/89/13/436728913.db2.gz ARHYSIFFZZUIFR-OAHLLOKOSA-N 1 1 337.395 0.467 50 0 ECAAMO O=C(c1ccccc1F)N1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237799797 436744792 /nfs/dbraw/zinc/74/47/92/436744792.db2.gz HWNGVLFVWHNNAL-HNNXBMFYSA-N 1 1 335.379 0.489 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000229828184 436716221 /nfs/dbraw/zinc/71/62/21/436716221.db2.gz XGEDIGUKMQIZGI-HFTRVMKXSA-N 1 1 337.464 0.860 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](CCO)Cc2ccccc2)C1 ZINC000069348794 436769952 /nfs/dbraw/zinc/76/99/52/436769952.db2.gz AQVWQAGKZXZKPF-KRWDZBQOSA-N 1 1 333.432 0.608 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](CCO)Cc2ccccc2)C1 ZINC000069348794 436769955 /nfs/dbraw/zinc/76/99/55/436769955.db2.gz AQVWQAGKZXZKPF-KRWDZBQOSA-N 1 1 333.432 0.608 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247547835 436795587 /nfs/dbraw/zinc/79/55/87/436795587.db2.gz UZLLIXKKQFZRTH-TZMCWYRMSA-N 1 1 329.466 0.401 50 0 ECAAMO Cc1[nH+]ccn1CCC(=O)N[C@H]1C[C@@H](c2cc(NCCO)ncn2)C1 ZINC000252536692 436837614 /nfs/dbraw/zinc/83/76/14/436837614.db2.gz JEBASADVVSRJGA-OKILXGFUSA-N 1 1 344.419 0.838 50 0 ECAAMO CN1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C(C)(C)C1=O ZINC000129955904 436832201 /nfs/dbraw/zinc/83/22/01/436832201.db2.gz HNAFWQKDQIPEED-UHFFFAOYSA-N 1 1 338.330 0.317 50 0 ECAAMO CN1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C(C)(C)C1=O ZINC000129955904 436832206 /nfs/dbraw/zinc/83/22/06/436832206.db2.gz HNAFWQKDQIPEED-UHFFFAOYSA-N 1 1 338.330 0.317 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)[C@@H](CO)NC(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000252500594 436837035 /nfs/dbraw/zinc/83/70/35/436837035.db2.gz SYQWHEDSNUIDJC-IVMMDQJWSA-N 1 1 331.416 0.519 50 0 ECAAMO COc1cccc(CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000175733527 437115211 /nfs/dbraw/zinc/11/52/11/437115211.db2.gz OTCIQZNUANSTFT-UKRRQHHQSA-N 1 1 334.420 0.952 50 0 ECAAMO Cn1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000179120707 437249908 /nfs/dbraw/zinc/24/99/08/437249908.db2.gz OMRLKIWKQKWBPZ-OAHLLOKOSA-N 1 1 342.399 0.321 50 0 ECAAMO Cn1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000179120707 437249911 /nfs/dbraw/zinc/24/99/11/437249911.db2.gz OMRLKIWKQKWBPZ-OAHLLOKOSA-N 1 1 342.399 0.321 50 0 ECAAMO Cc1nonc1OCCNC(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426438840 438060205 /nfs/dbraw/zinc/06/02/05/438060205.db2.gz KUSDWQQXVMQTOA-CQSZACIVSA-N 1 1 348.359 0.905 50 0 ECAAMO Cc1[nH]nc2c1CN(c1cc([C@@H]3CCOC3)[nH+]c(NCCO)n1)CC2 ZINC000426578520 438067416 /nfs/dbraw/zinc/06/74/16/438067416.db2.gz BLARLDVWMRCFDX-GFCCVEGCSA-N 1 1 344.419 0.979 50 0 ECAAMO CCCCCC[C@@](O)(C[N@@H+]1CCO[C@H](C(=O)NC)C1)C(=O)OC ZINC000408524442 438582842 /nfs/dbraw/zinc/58/28/42/438582842.db2.gz UNIDRNMTXXGWIT-XJKSGUPXSA-N 1 1 330.425 0.308 50 0 ECAAMO CCCCCC[C@@](O)(C[N@H+]1CCO[C@H](C(=O)NC)C1)C(=O)OC ZINC000408524442 438582844 /nfs/dbraw/zinc/58/28/44/438582844.db2.gz UNIDRNMTXXGWIT-XJKSGUPXSA-N 1 1 330.425 0.308 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)CC1 ZINC000585145594 439635406 /nfs/dbraw/zinc/63/54/06/439635406.db2.gz SCAMAEBEOJKKBX-UHFFFAOYSA-N 1 1 333.285 0.923 50 0 ECAAMO CN(C)c1nc(N)nc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000584906704 439625452 /nfs/dbraw/zinc/62/54/52/439625452.db2.gz VEGJQBHELUOJDL-ZIAGYGMSSA-N 1 1 339.447 1.088 50 0 ECAAMO CO[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000242197052 536642779 /nfs/dbraw/zinc/64/27/79/536642779.db2.gz XHLUUNYULAXAAN-QLFBSQMISA-N 1 1 338.452 0.502 50 0 ECAAMO CCSc1ncc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cn1 ZINC000097480542 545732108 /nfs/dbraw/zinc/73/21/08/545732108.db2.gz XYZCEEHCELUOHV-GJZGRUSLSA-N 1 1 338.477 0.856 50 0 ECAAMO Nc1nc2n[nH]cc2c(N2CC[N@H+](C3CCSCC3)C[C@@H](O)C2)n1 ZINC000217156307 545920928 /nfs/dbraw/zinc/92/09/28/545920928.db2.gz WIWQVHDXKLAFPR-LLVKDONJSA-N 1 1 349.464 0.314 50 0 ECAAMO Cc1[nH+]cn(CCNC(=O)c2cnn3cc(CCO)cnc23)c1C ZINC000670438658 548010930 /nfs/dbraw/zinc/01/09/30/548010930.db2.gz HSKUCYCCLLEARA-UHFFFAOYSA-N 1 1 328.376 0.507 50 0 ECAAMO CS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000670452474 548014236 /nfs/dbraw/zinc/01/42/36/548014236.db2.gz GPGIILJZWPENHU-CYBMUJFWSA-N 1 1 331.482 0.697 50 0 ECAAMO CCc1nc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](CO)C2)c[nH]1 ZINC000670457279 548015987 /nfs/dbraw/zinc/01/59/87/548015987.db2.gz PLUKIXIOHHYCMS-GFCCVEGCSA-N 1 1 330.454 0.345 50 0 ECAAMO CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@@](O)(Cn3ccnn3)C2)C1=O ZINC000585081581 586779343 /nfs/dbraw/zinc/77/93/43/586779343.db2.gz RRWWSTVCYWQSCZ-YOEHRIQHSA-N 1 1 335.452 0.752 50 0 ECAAMO O=C(NCC1(CN2CCOCC2)CCCCC1)[C@H](F)C1C[NH2+]C1 ZINC000864091898 590055567 /nfs/dbraw/zinc/05/55/67/590055567.db2.gz IJEBWRGVJXLMNE-OAHLLOKOSA-N 1 1 327.444 0.943 50 0 ECAAMO COCC[C@@]1(CO)CCCN(C(=O)CC[N@H+]2CCCN(C)CC2)C1 ZINC000091645760 608781190 /nfs/dbraw/zinc/78/11/90/608781190.db2.gz OYTLOBNHYRXROH-SFHVURJKSA-N 1 1 341.496 0.652 50 0 ECAAMO COCC[C@@]1(CO)CCCN(C(=O)CCN2CCC[N@H+](C)CC2)C1 ZINC000091645760 608781193 /nfs/dbraw/zinc/78/11/93/608781193.db2.gz OYTLOBNHYRXROH-SFHVURJKSA-N 1 1 341.496 0.652 50 0 ECAAMO COCC[C@@]1(CO)CCCN(C(=O)CCN2CCC[N@@H+](C)CC2)C1 ZINC000091645760 608781197 /nfs/dbraw/zinc/78/11/97/608781197.db2.gz OYTLOBNHYRXROH-SFHVURJKSA-N 1 1 341.496 0.652 50 0 ECAAMO Cn1cc([C@@H](CNC(=O)CN2CCCCCCC2=O)[NH+](C)C)cn1 ZINC000172150876 609768319 /nfs/dbraw/zinc/76/83/19/609768319.db2.gz VXXCTAAOXDFBOX-OAHLLOKOSA-N 1 1 335.452 0.932 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000952965983 612138474 /nfs/dbraw/zinc/13/84/74/612138474.db2.gz BOWAEEMOMZGHFO-AWEZNQCLSA-N 1 1 336.436 0.842 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CCn2cccn2)C1 ZINC000952962173 612138483 /nfs/dbraw/zinc/13/84/83/612138483.db2.gz ABKGTMMRJQFFRP-JKSUJKDBSA-N 1 1 347.463 0.852 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@](CO)(CC3CC3)C2)C1 ZINC000952966964 612138540 /nfs/dbraw/zinc/13/85/40/612138540.db2.gz GDXNONGMSMIBLO-QAPCUYQASA-N 1 1 337.464 0.585 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)C1 ZINC000952978869 612139876 /nfs/dbraw/zinc/13/98/76/612139876.db2.gz CHBKFQFVAPNJEK-CQSZACIVSA-N 1 1 343.387 0.550 50 0 ECAAMO COCCC(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802938 740835485 /nfs/dbraw/zinc/83/54/85/740835485.db2.gz RRFUVSMLEKNEGL-INIZCTEOSA-N 1 1 339.480 0.668 50 0 ECAAMO OC[C@@H](O)C[N@H+]1CCc2nc(CC3CC3)nc(N3CC=CC3)c2CC1 ZINC000105507588 749913552 /nfs/dbraw/zinc/91/35/52/749913552.db2.gz INTKQTNWMRNZEZ-HNNXBMFYSA-N 1 1 344.459 0.559 50 0 ECAAMO O=C(Cn1cccnc1=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299792844 750938017 /nfs/dbraw/zinc/93/80/17/750938017.db2.gz GRJICWYGAQJYJC-OAHLLOKOSA-N 1 1 327.388 0.419 50 0 ECAAMO O=C(Cn1cccnc1=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299792844 750938023 /nfs/dbraw/zinc/93/80/23/750938023.db2.gz GRJICWYGAQJYJC-OAHLLOKOSA-N 1 1 327.388 0.419 50 0 ECAAMO COCCn1cnnc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000426578538 753290390 /nfs/dbraw/zinc/29/03/90/753290390.db2.gz DZSTZYAHLJXUPT-KBPBESRZSA-N 1 1 336.440 0.550 50 0 ECAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH+](C)C ZINC000068776903 215332774 /nfs/dbraw/zinc/33/27/74/215332774.db2.gz NQAKGHQZKZQWAP-CQSZACIVSA-N 1 1 330.388 0.822 50 0 ECAAMO CCN1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019790667 202021081 /nfs/dbraw/zinc/02/10/81/202021081.db2.gz MUYVSKDKTTWJSF-HZPDHXFCSA-N 1 1 336.432 0.841 50 0 ECAAMO CCCn1nc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1=O ZINC000032268228 202222406 /nfs/dbraw/zinc/22/24/06/202222406.db2.gz RUEILBLPTQRLSU-AWEZNQCLSA-N 1 1 336.436 0.740 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000036655982 202328450 /nfs/dbraw/zinc/32/84/50/202328450.db2.gz QYEFYVZKLSWJFG-GFCCVEGCSA-N 1 1 334.376 0.316 50 0 ECAAMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000072254176 202359038 /nfs/dbraw/zinc/35/90/38/202359038.db2.gz RDVZGLWADIVRQA-AWEZNQCLSA-N 1 1 329.466 0.355 50 0 ECAAMO NC(=O)CN1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H](O)C1 ZINC000225347587 201035804 /nfs/dbraw/zinc/03/58/04/201035804.db2.gz ZKRPJHYNRKBYKH-HNNXBMFYSA-N 1 1 347.394 0.180 50 0 ECAAMO NC(=O)CN1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H](O)C1 ZINC000225347587 201035808 /nfs/dbraw/zinc/03/58/08/201035808.db2.gz ZKRPJHYNRKBYKH-HNNXBMFYSA-N 1 1 347.394 0.180 50 0 ECAAMO Cn1nc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)ccc1=O ZINC000216205371 241173878 /nfs/dbraw/zinc/17/38/78/241173878.db2.gz SZKVQZUSOJKIPL-HNNXBMFYSA-N 1 1 326.400 1.000 50 0 ECAAMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(N)=O ZINC000229697466 242192366 /nfs/dbraw/zinc/19/23/66/242192366.db2.gz AITVZWXQGUCTEZ-CABCVRRESA-N 1 1 337.445 0.999 50 0 ECAAMO O=C(NCc1ccccn1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759599 284009286 /nfs/dbraw/zinc/00/92/86/284009286.db2.gz LMBVYZUTHRHIDD-ZBFHGGJFSA-N 1 1 334.420 0.618 50 0 ECAAMO CCN(Cc1ccncc1)C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000244787618 243080218 /nfs/dbraw/zinc/08/02/18/243080218.db2.gz QAKBFEZSMDNAGQ-HNNXBMFYSA-N 1 1 339.461 0.939 50 0 ECAAMO CCN(Cc1ccncc1)C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000244787618 243080224 /nfs/dbraw/zinc/08/02/24/243080224.db2.gz QAKBFEZSMDNAGQ-HNNXBMFYSA-N 1 1 339.461 0.939 50 0 ECAAMO CN(C)C(=O)c1ccc(C[NH+]2CCC(c3nnc(CO)n3C)CC2)o1 ZINC000244816921 243086826 /nfs/dbraw/zinc/08/68/26/243086826.db2.gz SRAKDMZOBLMKRQ-UHFFFAOYSA-N 1 1 347.419 0.982 50 0 ECAAMO CCOc1ccccc1OCC[N@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000244887864 243100698 /nfs/dbraw/zinc/10/06/98/243100698.db2.gz YPTGJFCDTZBRPL-HOTGVXAUSA-N 1 1 336.432 0.841 50 0 ECAAMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000069463927 203006142 /nfs/dbraw/zinc/00/61/42/203006142.db2.gz FMPQUWVSNKPSTC-GFCCVEGCSA-N 1 1 331.413 0.710 50 0 ECAAMO CC[C@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000069738393 203042402 /nfs/dbraw/zinc/04/24/02/203042402.db2.gz NMUBHQOIXXRIQQ-IRXDYDNUSA-N 1 1 340.512 0.582 50 0 ECAAMO C[C@@H](Cn1cccn1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000069738500 203042636 /nfs/dbraw/zinc/04/26/36/203042636.db2.gz KJHVAZUEVLFDQV-HNNXBMFYSA-N 1 1 330.436 0.987 50 0 ECAAMO C[C@@H](Cn1cccn1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000069738500 203042639 /nfs/dbraw/zinc/04/26/39/203042639.db2.gz KJHVAZUEVLFDQV-HNNXBMFYSA-N 1 1 330.436 0.987 50 0 ECAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069898550 203061955 /nfs/dbraw/zinc/06/19/55/203061955.db2.gz QZKMWKDLWQEYEL-VXGBXAGGSA-N 1 1 334.486 0.185 50 0 ECAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069898550 203061958 /nfs/dbraw/zinc/06/19/58/203061958.db2.gz QZKMWKDLWQEYEL-VXGBXAGGSA-N 1 1 334.486 0.185 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000069951581 203065186 /nfs/dbraw/zinc/06/51/86/203065186.db2.gz MGLLLBZCUPZBOI-INIZCTEOSA-N 1 1 348.447 0.447 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@@H]1C ZINC000071864554 203133186 /nfs/dbraw/zinc/13/31/86/203133186.db2.gz SVHHZUVVMXDWBD-UONOGXRCSA-N 1 1 325.478 0.794 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000071881084 203134486 /nfs/dbraw/zinc/13/44/86/203134486.db2.gz KSBBVDULHQQYRQ-KRWDZBQOSA-N 1 1 343.431 0.855 50 0 ECAAMO COCC[N@H+]1CCC[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000071879998 203134513 /nfs/dbraw/zinc/13/45/13/203134513.db2.gz BVCVVCNKYHKULE-INIZCTEOSA-N 1 1 347.463 0.920 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000071881777 203135610 /nfs/dbraw/zinc/13/56/10/203135610.db2.gz GWRPIIGGCPQNPT-LBPRGKRZSA-N 1 1 333.388 0.546 50 0 ECAAMO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072126551 203165180 /nfs/dbraw/zinc/16/51/80/203165180.db2.gz GXVYQLVLHBVHGS-CQSZACIVSA-N 1 1 331.420 0.601 50 0 ECAAMO CCNc1nc(C)c(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)s1 ZINC000072154437 203174822 /nfs/dbraw/zinc/17/48/22/203174822.db2.gz URLRCECIBALPFZ-LLVKDONJSA-N 1 1 337.449 0.576 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)CC1 ZINC000072268884 203187162 /nfs/dbraw/zinc/18/71/62/203187162.db2.gz XLNYHJMNCPXVHP-NSHDSACASA-N 1 1 334.376 0.353 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4nncn4c3)CC2)cn1 ZINC000072279832 203189194 /nfs/dbraw/zinc/18/91/94/203189194.db2.gz RRGDAJITLQRRHJ-UHFFFAOYSA-N 1 1 339.403 0.811 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4nncn4c3)CC2)cn1 ZINC000072279832 203189197 /nfs/dbraw/zinc/18/91/97/203189197.db2.gz RRGDAJITLQRRHJ-UHFFFAOYSA-N 1 1 339.403 0.811 50 0 ECAAMO O=C(c1ccco1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072441874 203225170 /nfs/dbraw/zinc/22/51/70/203225170.db2.gz PDJSPLBSXPREFU-UHFFFAOYSA-N 1 1 343.387 0.869 50 0 ECAAMO O=C(NCCCn1nnc2ccccc21)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072458202 203228504 /nfs/dbraw/zinc/22/85/04/203228504.db2.gz UHYYDWNYLNWRHX-HNNXBMFYSA-N 1 1 325.376 0.548 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)N1CCN(C[C@H]2COCCO2)CC1)c1ccccc1 ZINC000075138214 203305375 /nfs/dbraw/zinc/30/53/75/203305375.db2.gz GRHLBVBOADDYJM-ZWKOTPCHSA-N 1 1 347.459 0.849 50 0 ECAAMO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](CCO)CC1 ZINC000075572134 203318927 /nfs/dbraw/zinc/31/89/27/203318927.db2.gz DMHZMYTWHXCVLQ-UHFFFAOYSA-N 1 1 336.417 0.867 50 0 ECAAMO O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077287182 203377534 /nfs/dbraw/zinc/37/75/34/203377534.db2.gz GGDZLJCLRKSRBU-QGZVFWFLSA-N 1 1 345.403 0.257 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077454260 203389447 /nfs/dbraw/zinc/38/94/47/203389447.db2.gz UFBCWNUVPAWQFP-CYBMUJFWSA-N 1 1 344.419 0.182 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1ncccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100957 204186362 /nfs/dbraw/zinc/18/63/62/204186362.db2.gz HUKZSJMOHFHNOR-MCIONIFRSA-N 1 1 336.440 0.685 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1ncccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106100957 204186364 /nfs/dbraw/zinc/18/63/64/204186364.db2.gz HUKZSJMOHFHNOR-MCIONIFRSA-N 1 1 336.440 0.685 50 0 ECAAMO NC(=O)C[NH+]1CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012973718 207267394 /nfs/dbraw/zinc/26/73/94/207267394.db2.gz CYDMKNHQXCNJCH-UHFFFAOYSA-N 1 1 343.313 0.505 50 0 ECAAMO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153434722 254500366 /nfs/dbraw/zinc/50/03/66/254500366.db2.gz GQFURWXKZODURY-PHIMTYICSA-N 1 1 342.403 0.287 50 0 ECAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1C ZINC000299773151 258085567 /nfs/dbraw/zinc/08/55/67/258085567.db2.gz BTWGSCUBHYDGDB-HNNXBMFYSA-N 1 1 334.420 0.597 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC000299768927 258082596 /nfs/dbraw/zinc/08/25/96/258082596.db2.gz NNHNFFOFNSWYPC-IAGOWNOFSA-N 1 1 344.415 0.981 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 ZINC000299768927 258082597 /nfs/dbraw/zinc/08/25/97/258082597.db2.gz NNHNFFOFNSWYPC-IAGOWNOFSA-N 1 1 344.415 0.981 50 0 ECAAMO O=C(c1cn[nH]c1)N1CC[N@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097733070 275015225 /nfs/dbraw/zinc/01/52/25/275015225.db2.gz HVPMHRKCCJGCOY-QGZVFWFLSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1cn[nH]c1)N1CC[N@@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097733070 275015226 /nfs/dbraw/zinc/01/52/26/275015226.db2.gz HVPMHRKCCJGCOY-QGZVFWFLSA-N 1 1 344.415 0.745 50 0 ECAAMO Cc1nnc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000040526521 279228313 /nfs/dbraw/zinc/22/83/13/279228313.db2.gz KNWMVVSIQHBPMU-NWDGAFQWSA-N 1 1 341.437 0.705 50 0 ECAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000252585338 288146291 /nfs/dbraw/zinc/14/62/91/288146291.db2.gz HWEGKPQSVKSYDZ-QLFBSQMISA-N 1 1 326.485 0.956 50 0 ECAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002499806 435965496 /nfs/dbraw/zinc/96/54/96/435965496.db2.gz QXAZMAOWUHDVJF-UHFFFAOYSA-N 1 1 333.498 0.896 50 0 ECAAMO O=C(C[NH+]1CCCCC1)NN1CC(=O)N(c2ccc(F)cc2)CC1=O ZINC000000131357 435950327 /nfs/dbraw/zinc/95/03/27/435950327.db2.gz GKJJSCNRLQZVJJ-UHFFFAOYSA-N 1 1 348.378 0.518 50 0 ECAAMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1cccnc1 ZINC000071806086 436012730 /nfs/dbraw/zinc/01/27/30/436012730.db2.gz ACCRPCRXNSGUJM-HNNXBMFYSA-N 1 1 333.436 0.857 50 0 ECAAMO CN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC000071915321 436030892 /nfs/dbraw/zinc/03/08/92/436030892.db2.gz CGRMPGQTOXLVSE-DLBZAZTESA-N 1 1 344.459 0.664 50 0 ECAAMO O=C(CC[NH+]1CC(n2cccn2)C1)N1CCN(c2ncccn2)CC1 ZINC000072267683 436037510 /nfs/dbraw/zinc/03/75/10/436037510.db2.gz MYEHWJFIYTXGCG-UHFFFAOYSA-N 1 1 341.419 0.269 50 0 ECAAMO CN(C)S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197384 436046751 /nfs/dbraw/zinc/04/67/51/436046751.db2.gz JITBBBSQFSAZSU-CYBMUJFWSA-N 1 1 341.433 0.948 50 0 ECAAMO O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 ZINC000012307056 436048876 /nfs/dbraw/zinc/04/88/76/436048876.db2.gz WHHOLGWWTLHZOT-INIZCTEOSA-N 1 1 336.461 0.842 50 0 ECAAMO CSCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000011768291 436048996 /nfs/dbraw/zinc/04/89/96/436048996.db2.gz LFYZLBBIVHRLHJ-INIZCTEOSA-N 1 1 347.484 0.824 50 0 ECAAMO CSCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000011768291 436049004 /nfs/dbraw/zinc/04/90/04/436049004.db2.gz LFYZLBBIVHRLHJ-INIZCTEOSA-N 1 1 347.484 0.824 50 0 ECAAMO OCC[NH+]1CCN(c2nc3ccccc3c(N3CCOCC3)n2)CC1 ZINC000019884148 436107239 /nfs/dbraw/zinc/10/72/39/436107239.db2.gz TZCFPMDSLNYVPB-UHFFFAOYSA-N 1 1 343.431 0.581 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2CNCC2CC[NH+](CCO)CC2)c1 ZINC000075602816 436166212 /nfs/dbraw/zinc/16/62/12/436166212.db2.gz GHFCEEZMCVUILW-UHFFFAOYSA-N 1 1 348.426 0.904 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]2C)CC1 ZINC000076055927 436187931 /nfs/dbraw/zinc/18/79/31/436187931.db2.gz DRSCLXJZJKUQKN-PBHICJAKSA-N 1 1 348.447 0.380 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]2C)CC1 ZINC000076055927 436187939 /nfs/dbraw/zinc/18/79/39/436187939.db2.gz DRSCLXJZJKUQKN-PBHICJAKSA-N 1 1 348.447 0.380 50 0 ECAAMO C[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@H]1[NH+]1CCOCC1 ZINC000076053507 436190073 /nfs/dbraw/zinc/19/00/73/436190073.db2.gz NWFSOUCIBMYFDE-HUUCEWRRSA-N 1 1 333.436 0.848 50 0 ECAAMO C[N@H+](C[C@@H](O)COCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000032721078 436242490 /nfs/dbraw/zinc/24/24/90/436242490.db2.gz PBXSPBSLSXUGSR-ZIAGYGMSSA-N 1 1 331.409 0.822 50 0 ECAAMO C[N@@H+](C[C@@H](O)COCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000032721078 436242495 /nfs/dbraw/zinc/24/24/95/436242495.db2.gz PBXSPBSLSXUGSR-ZIAGYGMSSA-N 1 1 331.409 0.822 50 0 ECAAMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC000079109698 436289821 /nfs/dbraw/zinc/28/98/21/436289821.db2.gz BQWVBAPMPYDHJV-UHFFFAOYSA-N 1 1 333.432 0.826 50 0 ECAAMO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc3sccn3c2=O)C[C@H](C)O1 ZINC000040489265 436264225 /nfs/dbraw/zinc/26/42/25/436264225.db2.gz QKHUDQOZJFFDLK-PHIMTYICSA-N 1 1 336.417 0.595 50 0 ECAAMO C[C@@H]1C[N@H+](CCNC(=O)c2cnc3sccn3c2=O)C[C@H](C)O1 ZINC000040489265 436264231 /nfs/dbraw/zinc/26/42/31/436264231.db2.gz QKHUDQOZJFFDLK-PHIMTYICSA-N 1 1 336.417 0.595 50 0 ECAAMO COCc1nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000078788465 436279138 /nfs/dbraw/zinc/27/91/38/436279138.db2.gz DSPPUQMYYTUFDA-OLZOCXBDSA-N 1 1 325.434 0.961 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000044791297 436348566 /nfs/dbraw/zinc/34/85/66/436348566.db2.gz ZOHIOJCACQARDW-UHFFFAOYSA-N 1 1 345.852 0.880 50 0 ECAAMO CCn1cc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000043645399 436334175 /nfs/dbraw/zinc/33/41/75/436334175.db2.gz VAGUONLJWLZTPS-HIFRSBDPSA-N 1 1 337.424 0.762 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000045607972 436372210 /nfs/dbraw/zinc/37/22/10/436372210.db2.gz IYWUBWIASRJMPC-UHFFFAOYSA-N 1 1 345.447 0.468 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCc1cccc2cccnc21 ZINC000084493815 436382231 /nfs/dbraw/zinc/38/22/31/436382231.db2.gz SGZYLGXZOVIXEL-UHFFFAOYSA-N 1 1 342.443 0.503 50 0 ECAAMO CCCC[C@H](NC(N)=O)C(=O)N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000084742914 436383801 /nfs/dbraw/zinc/38/38/01/436383801.db2.gz WFWZUBCOIMQDEI-SOUVJXGZSA-N 1 1 340.468 0.783 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnn3c2nc(C)cc3C)CC1 ZINC000046456984 436395032 /nfs/dbraw/zinc/39/50/32/436395032.db2.gz IFDAZZDOPPFYAX-UHFFFAOYSA-N 1 1 344.419 0.286 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccnc2N2CCCC2)CC1 ZINC000046449097 436395543 /nfs/dbraw/zinc/39/55/43/436395543.db2.gz ZSEWOJOFSCQPEA-UHFFFAOYSA-N 1 1 345.447 0.622 50 0 ECAAMO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@H+](C)C[C@H]2C)c1=O ZINC000089300060 436407805 /nfs/dbraw/zinc/40/78/05/436407805.db2.gz ZTFAEPBKZQAPQV-CYBMUJFWSA-N 1 1 344.415 0.346 50 0 ECAAMO CCn1c(=O)c2ccccc2n(CC(=O)N2CC[N@@H+](C)C[C@H]2C)c1=O ZINC000089300060 436407809 /nfs/dbraw/zinc/40/78/09/436407809.db2.gz ZTFAEPBKZQAPQV-CYBMUJFWSA-N 1 1 344.415 0.346 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000044913795 436354323 /nfs/dbraw/zinc/35/43/23/436354323.db2.gz NYWPTUDUDIGFES-UHFFFAOYSA-N 1 1 329.404 0.583 50 0 ECAAMO CC(C)C[C@H](CNC(=O)N[C@H](C)c1nncn1C)[NH+]1CCOCC1 ZINC000044967764 436356960 /nfs/dbraw/zinc/35/69/60/436356960.db2.gz ZFIKIKPMFFPOLT-ZIAGYGMSSA-N 1 1 338.456 0.922 50 0 ECAAMO Cc1ccc(CNC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000044967803 436357132 /nfs/dbraw/zinc/35/71/32/436357132.db2.gz NKPKYTKPNCBXMT-IRXDYDNUSA-N 1 1 348.447 0.927 50 0 ECAAMO CN1CC[C@]2(CN(CC(=O)N3CCCCC3)CC[N@H+]2C)CCC1=O ZINC000092097026 436466977 /nfs/dbraw/zinc/46/69/77/436466977.db2.gz NUSWMTUFMXSVSG-SFHVURJKSA-N 1 1 336.480 0.627 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000048251623 436446416 /nfs/dbraw/zinc/44/64/16/436446416.db2.gz YJIYIUUHXRTEDE-OAHLLOKOSA-N 1 1 349.431 0.809 50 0 ECAAMO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000048262359 436446647 /nfs/dbraw/zinc/44/66/47/436446647.db2.gz ODBMQOATPWKXOS-ZIAGYGMSSA-N 1 1 336.388 0.633 50 0 ECAAMO O=C(NCc1cc[nH]n1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000048280070 436446889 /nfs/dbraw/zinc/44/68/89/436446889.db2.gz WYLHQSIJLBRRBU-INIZCTEOSA-N 1 1 329.404 0.628 50 0 ECAAMO COc1cc(C[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C2CC2)cc2c1OCO2 ZINC000048286063 436447869 /nfs/dbraw/zinc/44/78/69/436447869.db2.gz PUMQGUSCXBWFJA-UHFFFAOYSA-N 1 1 345.355 0.965 50 0 ECAAMO COc1cc(C[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C2CC2)cc2c1OCO2 ZINC000048286063 436447872 /nfs/dbraw/zinc/44/78/72/436447872.db2.gz PUMQGUSCXBWFJA-UHFFFAOYSA-N 1 1 345.355 0.965 50 0 ECAAMO COCCN1CC[C@]2(CN(c3cnccn3)CC[N@H+]2C)CCC1=O ZINC000091468304 436449806 /nfs/dbraw/zinc/44/98/06/436449806.db2.gz JQZHOOVCCLFVJW-KRWDZBQOSA-N 1 1 333.436 0.626 50 0 ECAAMO CN1CC[C@@]2(CN(C(=O)c3cccc(CO)n3)CC[N@H+]2C)CCC1=O ZINC000091493838 436452116 /nfs/dbraw/zinc/45/21/16/436452116.db2.gz GOLDIGZENFTXRO-GOSISDBHSA-N 1 1 346.431 0.343 50 0 ECAAMO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1cccnc1)C2)NCCO ZINC000091493476 436452472 /nfs/dbraw/zinc/45/24/72/436452472.db2.gz AEABOOXQBUWKJH-UHFFFAOYSA-N 1 1 343.431 0.725 50 0 ECAAMO O=C(CCc1cc2n(n1)CCC[N@@H+](Cc1cccnc1)C2)NCCO ZINC000091493476 436452476 /nfs/dbraw/zinc/45/24/76/436452476.db2.gz AEABOOXQBUWKJH-UHFFFAOYSA-N 1 1 343.431 0.725 50 0 ECAAMO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O)N1CCOCC1 ZINC000091624704 436454057 /nfs/dbraw/zinc/45/40/57/436454057.db2.gz ULCPTEIWAZMTNF-LJQANCHMSA-N 1 1 349.475 0.960 50 0 ECAAMO C[N@H+]1CCN(C(=O)C2(Cn3cccn3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000091604333 436454317 /nfs/dbraw/zinc/45/43/17/436454317.db2.gz HIPVJARYGZVOKV-GOSISDBHSA-N 1 1 345.447 0.476 50 0 ECAAMO COc1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000091619828 436454637 /nfs/dbraw/zinc/45/46/37/436454637.db2.gz WEOAOIQNYWJXOG-HUUCEWRRSA-N 1 1 349.431 0.493 50 0 ECAAMO COc1cc(C[N@H+]2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)cc2c1OCO2 ZINC000091621164 436455586 /nfs/dbraw/zinc/45/55/86/436455586.db2.gz STNFYXAIKLEELO-KGLIPLIRSA-N 1 1 348.399 0.743 50 0 ECAAMO Cc1nc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(C)o1 ZINC000091680218 436456210 /nfs/dbraw/zinc/45/62/10/436456210.db2.gz OQCCAPDXLJFLIN-HUUCEWRRSA-N 1 1 336.436 0.219 50 0 ECAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(=O)[nH]c1C ZINC000091915300 436464322 /nfs/dbraw/zinc/46/43/22/436464322.db2.gz MXXUCMMMCZPIAE-GOSISDBHSA-N 1 1 346.431 0.418 50 0 ECAAMO CCc1noc(C)c1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091943554 436465702 /nfs/dbraw/zinc/46/57/02/436465702.db2.gz AMODWYRRCURYFP-KRWDZBQOSA-N 1 1 334.420 0.972 50 0 ECAAMO CCc1noc(C)c1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091943554 436465705 /nfs/dbraw/zinc/46/57/05/436465705.db2.gz AMODWYRRCURYFP-KRWDZBQOSA-N 1 1 334.420 0.972 50 0 ECAAMO NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000047262044 436414307 /nfs/dbraw/zinc/41/43/07/436414307.db2.gz FHQKDNINZLIDJW-UHFFFAOYSA-N 1 1 341.209 0.980 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000089939018 436421533 /nfs/dbraw/zinc/42/15/33/436421533.db2.gz YOQAWJUGWPIRRV-CYBMUJFWSA-N 1 1 335.404 0.546 50 0 ECAAMO CCn1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)c2ccccc21 ZINC000096138191 436515378 /nfs/dbraw/zinc/51/53/78/436515378.db2.gz YONVUCJPYBCTBY-FZKQIMNGSA-N 1 1 327.432 0.824 50 0 ECAAMO Cn1ccnc1C[NH+]1CCC(C(=O)NCCNc2ncccn2)CC1 ZINC000052776166 436515509 /nfs/dbraw/zinc/51/55/09/436515509.db2.gz WXYKZJOWCBAZQZ-UHFFFAOYSA-N 1 1 343.435 0.650 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)CN1C(=O)Cn1cc[nH+]c1C ZINC000096166075 436517505 /nfs/dbraw/zinc/51/75/05/436517505.db2.gz XALKKMTWLYZWPP-CABCVRRESA-N 1 1 349.435 0.166 50 0 ECAAMO CC(C)Cn1cc(N2C[C@H](C(=O)N3CC[NH+](C)CC3)CC2=O)cn1 ZINC000096192232 436521005 /nfs/dbraw/zinc/52/10/05/436521005.db2.gz XHXUDADRHICQBH-CQSZACIVSA-N 1 1 333.436 0.666 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+](C)CCc2ccccc2)c(=O)n(C)c1=O ZINC000053047697 436522132 /nfs/dbraw/zinc/52/21/32/436522132.db2.gz URJZMUMBKPKLPX-UHFFFAOYSA-N 1 1 330.388 0.023 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+](C)CCc2ccccc2)c(=O)n(C)c1=O ZINC000053047697 436522137 /nfs/dbraw/zinc/52/21/37/436522137.db2.gz URJZMUMBKPKLPX-UHFFFAOYSA-N 1 1 330.388 0.023 50 0 ECAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000095376675 436492181 /nfs/dbraw/zinc/49/21/81/436492181.db2.gz BIDGRIXWRKVROZ-GFCCVEGCSA-N 1 1 338.437 0.507 50 0 ECAAMO Cc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)nc(N(C)C)n1 ZINC000095380823 436492217 /nfs/dbraw/zinc/49/22/17/436492217.db2.gz RXGIIXODHHHTDX-HUUCEWRRSA-N 1 1 349.479 0.352 50 0 ECAAMO CCc1[nH+]ccn1CCCNC(=O)C1CCN(C(=O)COC)CC1 ZINC000095391564 436494279 /nfs/dbraw/zinc/49/42/79/436494279.db2.gz VSPYUXFSZLDHFV-UHFFFAOYSA-N 1 1 336.436 0.837 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000095385199 436494622 /nfs/dbraw/zinc/49/46/22/436494622.db2.gz BFIPRBFUODYFPX-MRXNPFEDSA-N 1 1 334.468 0.687 50 0 ECAAMO CNc1nc(C)cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)n1 ZINC000095387667 436494717 /nfs/dbraw/zinc/49/47/17/436494717.db2.gz COYBEZMAEVSZOE-HZPDHXFCSA-N 1 1 349.479 0.576 50 0 ECAAMO COCCn1cnnc1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000095387057 436495130 /nfs/dbraw/zinc/49/51/30/436495130.db2.gz VRUWXZRLXWDRGE-CQSZACIVSA-N 1 1 343.431 0.988 50 0 ECAAMO COCCn1cnnc1CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000095387057 436495133 /nfs/dbraw/zinc/49/51/33/436495133.db2.gz VRUWXZRLXWDRGE-CQSZACIVSA-N 1 1 343.431 0.988 50 0 ECAAMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccc(F)cc1 ZINC000051920436 436499751 /nfs/dbraw/zinc/49/97/51/436499751.db2.gz SXKZHVGYNZWGHW-CQSZACIVSA-N 1 1 328.384 0.602 50 0 ECAAMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccc(F)cc1 ZINC000051920436 436499755 /nfs/dbraw/zinc/49/97/55/436499755.db2.gz SXKZHVGYNZWGHW-CQSZACIVSA-N 1 1 328.384 0.602 50 0 ECAAMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(F)cc1 ZINC000051920434 436499948 /nfs/dbraw/zinc/49/99/48/436499948.db2.gz SXKZHVGYNZWGHW-AWEZNQCLSA-N 1 1 328.384 0.602 50 0 ECAAMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(F)cc1 ZINC000051920434 436499950 /nfs/dbraw/zinc/49/99/50/436499950.db2.gz SXKZHVGYNZWGHW-AWEZNQCLSA-N 1 1 328.384 0.602 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000095950858 436501952 /nfs/dbraw/zinc/50/19/52/436501952.db2.gz ZHFKYVCLKONXGD-CVEARBPZSA-N 1 1 337.464 0.883 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000096436908 436532960 /nfs/dbraw/zinc/53/29/60/436532960.db2.gz IZJCUKLLGLOGHW-UHFFFAOYSA-N 1 1 333.417 0.560 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000096441622 436533192 /nfs/dbraw/zinc/53/31/92/436533192.db2.gz MUFCEXAVFPXVIF-SNVBAGLBSA-N 1 1 330.372 0.812 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000096441622 436533194 /nfs/dbraw/zinc/53/31/94/436533194.db2.gz MUFCEXAVFPXVIF-SNVBAGLBSA-N 1 1 330.372 0.812 50 0 ECAAMO CN(C)c1nc(N2CCN(C(=O)CCCn3cccn3)CC2)cc[nH+]1 ZINC000096416571 436533301 /nfs/dbraw/zinc/53/33/01/436533301.db2.gz KVIOIXYFSALODF-UHFFFAOYSA-N 1 1 343.435 0.868 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1c[nH]c(=O)c2ccccc12 ZINC000097759208 436543717 /nfs/dbraw/zinc/54/37/17/436543717.db2.gz SGNOUFSNUZRZTN-CYBMUJFWSA-N 1 1 329.400 0.962 50 0 ECAAMO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055109294 436566972 /nfs/dbraw/zinc/56/69/72/436566972.db2.gz SAZPZXJCKSCTKO-GFCCVEGCSA-N 1 1 335.452 0.863 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2F)CC1 ZINC000058309328 436624254 /nfs/dbraw/zinc/62/42/54/436624254.db2.gz GEZKGHPSXXMPNM-UHFFFAOYSA-N 1 1 347.387 0.407 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000106169444 436590648 /nfs/dbraw/zinc/59/06/48/436590648.db2.gz TVASSDOLROEYPO-XQQFMLRXSA-N 1 1 326.441 0.847 50 0 ECAAMO Cc1nnc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000107672210 436612539 /nfs/dbraw/zinc/61/25/39/436612539.db2.gz ROABPLMMOFTNBG-OAHLLOKOSA-N 1 1 339.465 0.342 50 0 ECAAMO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000065399512 436658111 /nfs/dbraw/zinc/65/81/11/436658111.db2.gz IVLGNGHHXOEQQN-MGPQQGTHSA-N 1 1 344.481 0.336 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC000195529907 436693537 /nfs/dbraw/zinc/69/35/37/436693537.db2.gz KFKRCUBFDHAZJM-CYBMUJFWSA-N 1 1 345.447 0.525 50 0 ECAAMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000220669767 436699296 /nfs/dbraw/zinc/69/92/96/436699296.db2.gz BULFOLHCDROBIB-ZDUSSCGKSA-N 1 1 340.449 0.054 50 0 ECAAMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000220669767 436699299 /nfs/dbraw/zinc/69/92/99/436699299.db2.gz BULFOLHCDROBIB-ZDUSSCGKSA-N 1 1 340.449 0.054 50 0 ECAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N(C)Cc1csc(C)n1 ZINC000221381500 436700765 /nfs/dbraw/zinc/70/07/65/436700765.db2.gz ZNPIGNJFYJGHET-ZDUSSCGKSA-N 1 1 340.449 0.199 50 0 ECAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N(C)Cc1csc(C)n1 ZINC000221381500 436700768 /nfs/dbraw/zinc/70/07/68/436700768.db2.gz ZNPIGNJFYJGHET-ZDUSSCGKSA-N 1 1 340.449 0.199 50 0 ECAAMO Cc1cc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc(C)[nH+]1 ZINC000067404606 436713771 /nfs/dbraw/zinc/71/37/71/436713771.db2.gz OTUSCWNGZCSOBG-UHFFFAOYSA-N 1 1 336.421 0.338 50 0 ECAAMO C[C@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[NH+](C)C ZINC000065449879 436661479 /nfs/dbraw/zinc/66/14/79/436661479.db2.gz INLLJYPATXZYKN-CQSZACIVSA-N 1 1 334.468 0.583 50 0 ECAAMO CN1CCn2nc(C(=O)NC[C@@H](c3ccccn3)[NH+](C)C)cc2C1 ZINC000065452555 436662034 /nfs/dbraw/zinc/66/20/34/436662034.db2.gz OQMFOELGSKBHFR-INIZCTEOSA-N 1 1 328.420 0.756 50 0 ECAAMO Cn1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)nn1 ZINC000065536510 436666336 /nfs/dbraw/zinc/66/63/36/436666336.db2.gz UBLUKDIRZJHLSH-AWEZNQCLSA-N 1 1 342.403 0.765 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000065527839 436667299 /nfs/dbraw/zinc/66/72/99/436667299.db2.gz GQOULWLROYZHQN-MLGOLLRUSA-N 1 1 335.477 0.511 50 0 ECAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067788007 436723110 /nfs/dbraw/zinc/72/31/10/436723110.db2.gz KRBROYCDQIFPIV-JTQLQIEISA-N 1 1 329.356 0.967 50 0 ECAAMO Cc1noc(-c2ccc(N3CCC4(CC3)[NH2+]CCNC4=O)nc2)n1 ZINC000067974002 436730298 /nfs/dbraw/zinc/73/02/98/436730298.db2.gz YOCMQKKQRZAVJL-UHFFFAOYSA-N 1 1 328.376 0.498 50 0 ECAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CCO1 ZINC000237398075 436734420 /nfs/dbraw/zinc/73/44/20/436734420.db2.gz KTSKCZVTDMQWFZ-ZBFHGGJFSA-N 1 1 325.453 0.467 50 0 ECAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1ccc(CO)cc1 ZINC000240971746 436758790 /nfs/dbraw/zinc/75/87/90/436758790.db2.gz UCCIBYWVEZINBX-QZTJIDSGSA-N 1 1 341.411 0.939 50 0 ECAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1ccc(CO)cc1 ZINC000240971746 436758794 /nfs/dbraw/zinc/75/87/94/436758794.db2.gz UCCIBYWVEZINBX-QZTJIDSGSA-N 1 1 341.411 0.939 50 0 ECAAMO CCOC(=O)[C@H](C)NC(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067605422 436717203 /nfs/dbraw/zinc/71/72/03/436717203.db2.gz FAXJYTFAVMBZDU-ZDUSSCGKSA-N 1 1 326.441 0.359 50 0 ECAAMO CCOC(=O)[C@H](C)NC(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067605422 436717205 /nfs/dbraw/zinc/71/72/05/436717205.db2.gz FAXJYTFAVMBZDU-ZDUSSCGKSA-N 1 1 326.441 0.359 50 0 ECAAMO CCOC(=O)[C@H](C)NC(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067605422 436717209 /nfs/dbraw/zinc/71/72/09/436717209.db2.gz FAXJYTFAVMBZDU-ZDUSSCGKSA-N 1 1 326.441 0.359 50 0 ECAAMO CC[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000229830452 436717361 /nfs/dbraw/zinc/71/73/61/436717361.db2.gz OVHHOECLNIHIDC-OLZOCXBDSA-N 1 1 349.435 0.325 50 0 ECAAMO CC[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000229830452 436717365 /nfs/dbraw/zinc/71/73/65/436717365.db2.gz OVHHOECLNIHIDC-OLZOCXBDSA-N 1 1 349.435 0.325 50 0 ECAAMO O=C1NCCc2ccc(S(=O)(=O)N3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000247024028 436788909 /nfs/dbraw/zinc/78/89/09/436788909.db2.gz NAJDUQJFPWVFGK-ZDUSSCGKSA-N 1 1 335.429 0.441 50 0 ECAAMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000247717042 436797098 /nfs/dbraw/zinc/79/70/98/436797098.db2.gz ODBMQOATPWKXOS-KBPBESRZSA-N 1 1 336.388 0.633 50 0 ECAAMO C[N@@H+]1CCN2CCN(c3cncc(C(=O)N4CCCC4)n3)C[C@H]2C1 ZINC000248091219 436801226 /nfs/dbraw/zinc/80/12/26/436801226.db2.gz VKDHVTYLPFCHJZ-CQSZACIVSA-N 1 1 330.436 0.149 50 0 ECAAMO C[N@H+]1CCN2CCN(c3cncc(C(=O)N4CCCC4)n3)C[C@H]2C1 ZINC000248091219 436801228 /nfs/dbraw/zinc/80/12/28/436801228.db2.gz VKDHVTYLPFCHJZ-CQSZACIVSA-N 1 1 330.436 0.149 50 0 ECAAMO CCn1cc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)cn1 ZINC000257190120 436856845 /nfs/dbraw/zinc/85/68/45/436856845.db2.gz OJNONVUJWWDTOB-JKSUJKDBSA-N 1 1 329.404 0.521 50 0 ECAAMO CCn1cc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)cn1 ZINC000257190120 436856849 /nfs/dbraw/zinc/85/68/49/436856849.db2.gz OJNONVUJWWDTOB-JKSUJKDBSA-N 1 1 329.404 0.521 50 0 ECAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478037 436831283 /nfs/dbraw/zinc/83/12/83/436831283.db2.gz AAMQMPBGTNGADJ-RDJZCZTQSA-N 1 1 325.453 0.420 50 0 ECAAMO C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000252486405 436832962 /nfs/dbraw/zinc/83/29/62/436832962.db2.gz JUVOAZQBIHZTLB-IIAWOOMASA-N 1 1 334.464 0.981 50 0 ECAAMO CC(C)(C)SCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000252488684 436834965 /nfs/dbraw/zinc/83/49/65/436834965.db2.gz IWYDCIJGRGXBHR-UHFFFAOYSA-N 1 1 341.477 0.811 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)[C@H](CO)NC(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000252500596 436836022 /nfs/dbraw/zinc/83/60/22/436836022.db2.gz SYQWHEDSNUIDJC-XPKDYRNWSA-N 1 1 331.416 0.519 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000252504998 436837050 /nfs/dbraw/zinc/83/70/50/436837050.db2.gz HPGWGIGEDIPEDL-LSDHHAIUSA-N 1 1 337.468 0.431 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000257366124 436876127 /nfs/dbraw/zinc/87/61/27/436876127.db2.gz KLAOTTGSMSOGTR-CRAIPNDOSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000257366124 436876132 /nfs/dbraw/zinc/87/61/32/436876132.db2.gz KLAOTTGSMSOGTR-CRAIPNDOSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000257366124 436876135 /nfs/dbraw/zinc/87/61/35/436876135.db2.gz KLAOTTGSMSOGTR-CRAIPNDOSA-N 1 1 346.475 0.760 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H](O)C1 ZINC000426440292 438059880 /nfs/dbraw/zinc/05/98/80/438059880.db2.gz OKMKXBIIFUVDJV-GDBMZVCRSA-N 1 1 344.415 0.421 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H](O)C1 ZINC000426440292 438059883 /nfs/dbraw/zinc/05/98/83/438059883.db2.gz OKMKXBIIFUVDJV-GDBMZVCRSA-N 1 1 344.415 0.421 50 0 ECAAMO CCc1noc([C@@H](C)NC(=O)N2CCC([N@@H+](C)CCO)CC2)n1 ZINC000426445186 438060450 /nfs/dbraw/zinc/06/04/50/438060450.db2.gz XOWCIKSJZLBRTR-LLVKDONJSA-N 1 1 325.413 0.791 50 0 ECAAMO Cc1[nH+]ccn1CCN(C)c1cc([C@@H]2CCOC2)nc(NCCO)n1 ZINC000426477389 438060890 /nfs/dbraw/zinc/06/08/90/438060890.db2.gz MBIKAJWVAKJCTP-CQSZACIVSA-N 1 1 346.435 1.026 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426428895 438061037 /nfs/dbraw/zinc/06/10/37/438061037.db2.gz RFQZABNTCQZMCQ-CQSZACIVSA-N 1 1 348.451 0.496 50 0 ECAAMO COc1nccnc1-c1ccc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)cc1 ZINC000426434181 438061063 /nfs/dbraw/zinc/06/10/63/438061063.db2.gz YJTFPVMJAPLHRM-CABCVRRESA-N 1 1 342.399 0.947 50 0 ECAAMO Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)n1C(F)F ZINC000426518860 438062697 /nfs/dbraw/zinc/06/26/97/438062697.db2.gz VZGICNPYENLTGY-JSGCOSHPSA-N 1 1 342.390 0.936 50 0 ECAAMO CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1C[N@H+]3CCN1CCC3)O2 ZINC000408513848 438581426 /nfs/dbraw/zinc/58/14/26/438581426.db2.gz UFKPPYIXWDSBMN-NDUQDZPOSA-N 1 1 337.464 0.814 50 0 ECAAMO CC1CCC2(CC1)OC[C@H](CNC(=O)[C@H]1C[N@H+]3CCN1CCC3)O2 ZINC000408513845 438581887 /nfs/dbraw/zinc/58/18/87/438581887.db2.gz UFKPPYIXWDSBMN-BNQMIIOLSA-N 1 1 337.464 0.814 50 0 ECAAMO CO[C@H]1C[C@H](C[N@@H+](C)[C@@H]2COC[C@H]2O)N(C(=O)OC(C)(C)C)C1 ZINC000583650753 439496206 /nfs/dbraw/zinc/49/62/06/439496206.db2.gz AGLNWIJICHPWPP-XJFOESAGSA-N 1 1 330.425 0.702 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCc1ncc[nH]1 ZINC000534587522 439529889 /nfs/dbraw/zinc/52/98/89/439529889.db2.gz SDNNBLIAPZKCNW-UHFFFAOYSA-N 1 1 329.408 0.232 50 0 ECAAMO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000585113879 439631184 /nfs/dbraw/zinc/63/11/84/439631184.db2.gz LWHNIGMKHAOVBT-KGLIPLIRSA-N 1 1 344.477 0.523 50 0 ECAAMO O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000585136729 439633654 /nfs/dbraw/zinc/63/36/54/439633654.db2.gz QTTLFNCCNBVTIW-HOTGVXAUSA-N 1 1 349.406 0.672 50 0 ECAAMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CC1 ZINC000585131917 439633676 /nfs/dbraw/zinc/63/36/76/439633676.db2.gz KARAXZTZBDIJGY-GHMZBOCLSA-N 1 1 342.383 0.810 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)CCCc1cn[nH]c1)CC2 ZINC000584887515 439624082 /nfs/dbraw/zinc/62/40/82/439624082.db2.gz SHXBDIHWPLZVQQ-UHFFFAOYSA-N 1 1 333.436 0.545 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C2)o1 ZINC000084258719 545709657 /nfs/dbraw/zinc/70/96/57/545709657.db2.gz SZFXODIMRAHNGZ-GJZGRUSLSA-N 1 1 336.436 0.642 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C2)o1 ZINC000084258719 545709664 /nfs/dbraw/zinc/70/96/64/545709664.db2.gz SZFXODIMRAHNGZ-GJZGRUSLSA-N 1 1 336.436 0.642 50 0 ECAAMO O=C(c1cc[nH]n1)N1CC[N@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097551340 545733556 /nfs/dbraw/zinc/73/35/56/545733556.db2.gz AHEZUQFREYYXJZ-MRXNPFEDSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1cc[nH]n1)N1CC[N@@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097551340 545733563 /nfs/dbraw/zinc/73/35/63/545733563.db2.gz AHEZUQFREYYXJZ-MRXNPFEDSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1ccn[nH]1)N1CC[N@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097551340 545733573 /nfs/dbraw/zinc/73/35/73/545733573.db2.gz AHEZUQFREYYXJZ-MRXNPFEDSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1ccn[nH]1)N1CC[N@@H+](CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097551340 545733580 /nfs/dbraw/zinc/73/35/80/545733580.db2.gz AHEZUQFREYYXJZ-MRXNPFEDSA-N 1 1 344.415 0.745 50 0 ECAAMO COc1cc(C)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000670461955 548016727 /nfs/dbraw/zinc/01/67/27/548016727.db2.gz VCXAAEYPCVFTLC-CQSZACIVSA-N 1 1 342.461 0.986 50 0 ECAAMO COc1cc(C)ccc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670461955 548016731 /nfs/dbraw/zinc/01/67/31/548016731.db2.gz VCXAAEYPCVFTLC-CQSZACIVSA-N 1 1 342.461 0.986 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCc1nc(-c2cccnc2)no1 ZINC000670467508 548017222 /nfs/dbraw/zinc/01/72/22/548017222.db2.gz SYHIZUKHVIVIQM-LBPRGKRZSA-N 1 1 327.348 0.083 50 0 ECAAMO CC[NH+]1CCN(C(=O)C[C@H]2CCCN(c3cn[nH]c(=O)c3)C2)CC1 ZINC000169748938 609744947 /nfs/dbraw/zinc/74/49/47/609744947.db2.gz RYSKVTPHJLROGO-CQSZACIVSA-N 1 1 333.436 0.541 50 0 ECAAMO Cc1[nH+]ccn1CC(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000948970538 611777738 /nfs/dbraw/zinc/77/77/38/611777738.db2.gz WXLDJJGIXBJJOF-HNNXBMFYSA-N 1 1 334.420 0.583 50 0 ECAAMO Cc1cc(C(=O)N2CCC(N3CC[NH+](CCO)CC3)CC2)cc(C)n1 ZINC000952986658 612140163 /nfs/dbraw/zinc/14/01/63/612140163.db2.gz ITLJVMKZWYMAAL-UHFFFAOYSA-N 1 1 346.475 0.913 50 0 ECAAMO CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998563 529927602 /nfs/dbraw/zinc/92/76/02/529927602.db2.gz DWXOKRBXROCNMV-JKSUJKDBSA-N 1 1 349.406 0.764 50 0 ECAAMO CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000183998563 529927604 /nfs/dbraw/zinc/92/76/04/529927604.db2.gz DWXOKRBXROCNMV-JKSUJKDBSA-N 1 1 349.406 0.764 50 0 ECAAMO Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000020861931 202056189 /nfs/dbraw/zinc/05/61/89/202056189.db2.gz DCJJUCJAAXLXGT-AWEZNQCLSA-N 1 1 335.408 0.470 50 0 ECAAMO Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000020861931 202056192 /nfs/dbraw/zinc/05/61/92/202056192.db2.gz DCJJUCJAAXLXGT-AWEZNQCLSA-N 1 1 335.408 0.470 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000020681780 202052415 /nfs/dbraw/zinc/05/24/15/202052415.db2.gz CUFRSWCWQXMLPB-LBPRGKRZSA-N 1 1 325.434 0.825 50 0 ECAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC000033318383 202257516 /nfs/dbraw/zinc/25/75/16/202257516.db2.gz LVNRSJDYMUUJTK-UHFFFAOYSA-N 1 1 325.438 0.467 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC000069528765 202285591 /nfs/dbraw/zinc/28/55/91/202285591.db2.gz KLXFJJKQNSQKKZ-ULQDDVLXSA-N 1 1 338.452 0.916 50 0 ECAAMO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047419 202385878 /nfs/dbraw/zinc/38/58/78/202385878.db2.gz YTGQOQYOAVMSFK-GJZGRUSLSA-N 1 1 348.451 0.957 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000193932435 240366250 /nfs/dbraw/zinc/36/62/50/240366250.db2.gz HKSSDGQWZYHQRF-QWHCGFSZSA-N 1 1 342.465 0.889 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495579 201040935 /nfs/dbraw/zinc/04/09/35/201040935.db2.gz GCPRBBFEOHSLBN-KFWWJZLASA-N 1 1 345.447 0.768 50 0 ECAAMO C[C@@H]1CN(CCN2C(=O)CNC2=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544835 201041276 /nfs/dbraw/zinc/04/12/76/201041276.db2.gz QGMFUSLKXVTTLO-GDBMZVCRSA-N 1 1 346.431 0.278 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000241371330 201152623 /nfs/dbraw/zinc/15/26/23/201152623.db2.gz MMRUIOZJBSDBAY-YESZJQIVSA-N 1 1 340.512 0.316 50 0 ECAAMO Cn1cc(C2CC[NH+](CC(=O)N[C@H]3CCCCNC3=O)CC2)cn1 ZINC000097203000 201384348 /nfs/dbraw/zinc/38/43/48/201384348.db2.gz XVPVQDAHYHVYSZ-HNNXBMFYSA-N 1 1 333.436 0.384 50 0 ECAAMO Cc1nc(NC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)nn1C(C)C ZINC000023478560 212379911 /nfs/dbraw/zinc/37/99/11/212379911.db2.gz RQPSFJCEFBKYHO-GFCCVEGCSA-N 1 1 337.428 0.486 50 0 ECAAMO O=C1CN(Cc2ccc(OCCC[NH+]3CCOCC3)cc2)CCN1 ZINC000216203029 241175492 /nfs/dbraw/zinc/17/54/92/241175492.db2.gz WIYYIGKGGWJQRU-UHFFFAOYSA-N 1 1 333.432 0.720 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000216454358 241194133 /nfs/dbraw/zinc/19/41/33/241194133.db2.gz QZFMXIGVJBOSSK-CQSZACIVSA-N 1 1 328.372 0.203 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000216454358 241194139 /nfs/dbraw/zinc/19/41/39/241194139.db2.gz QZFMXIGVJBOSSK-CQSZACIVSA-N 1 1 328.372 0.203 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000215632149 241136512 /nfs/dbraw/zinc/13/65/12/241136512.db2.gz WFFOMOYKEAVHLH-UHFFFAOYSA-N 1 1 342.403 0.384 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(N)=O)C1 ZINC000229509961 242170535 /nfs/dbraw/zinc/17/05/35/242170535.db2.gz MTTFQECLXQWYNF-STQMWFEESA-N 1 1 336.440 0.744 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(N)=O)C1 ZINC000229509961 242170540 /nfs/dbraw/zinc/17/05/40/242170540.db2.gz MTTFQECLXQWYNF-STQMWFEESA-N 1 1 336.440 0.744 50 0 ECAAMO NS(=O)(=O)C[C@H]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000244882484 243094976 /nfs/dbraw/zinc/09/49/76/243094976.db2.gz XSRNNPHGILKSER-ZDUSSCGKSA-N 1 1 337.445 0.182 50 0 ECAAMO NS(=O)(=O)C[C@H]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000244882484 243094981 /nfs/dbraw/zinc/09/49/81/243094981.db2.gz XSRNNPHGILKSER-ZDUSSCGKSA-N 1 1 337.445 0.182 50 0 ECAAMO C[N@H+](CC(=O)N1CCN(c2ccc(=O)[nH]n2)CC1)Cc1ccccc1 ZINC000069669718 203036431 /nfs/dbraw/zinc/03/64/31/203036431.db2.gz PYUPORPFRGHXGQ-UHFFFAOYSA-N 1 1 341.415 0.963 50 0 ECAAMO C[N@@H+](CC(=O)N1CCN(c2ccc(=O)[nH]n2)CC1)Cc1ccccc1 ZINC000069669718 203036436 /nfs/dbraw/zinc/03/64/36/203036436.db2.gz PYUPORPFRGHXGQ-UHFFFAOYSA-N 1 1 341.415 0.963 50 0 ECAAMO COc1ccccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000069780147 203049926 /nfs/dbraw/zinc/04/99/26/203049926.db2.gz QQNQUGJSOGAFMB-CQSZACIVSA-N 1 1 336.436 0.767 50 0 ECAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069871432 203058545 /nfs/dbraw/zinc/05/85/45/203058545.db2.gz RYPDSMQBCWUAKG-ZDUSSCGKSA-N 1 1 344.415 0.230 50 0 ECAAMO COc1cc2c(cc1C[NH2+]CC(=O)N1CCN(C)CC1)O[C@H](C)C2 ZINC000071837120 203124455 /nfs/dbraw/zinc/12/44/55/203124455.db2.gz RERTVXZSVBWIDK-CYBMUJFWSA-N 1 1 333.432 0.882 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@H]1C ZINC000071864553 203132896 /nfs/dbraw/zinc/13/28/96/203132896.db2.gz SVHHZUVVMXDWBD-ZIAGYGMSSA-N 1 1 325.478 0.794 50 0 ECAAMO COc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc2c1OCCO2 ZINC000071871052 203133203 /nfs/dbraw/zinc/13/32/03/203133203.db2.gz AZADEINBKZCWND-LBPRGKRZSA-N 1 1 336.388 0.605 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000071881799 203135785 /nfs/dbraw/zinc/13/57/85/203135785.db2.gz MJZLMRTVFFHWDU-INIZCTEOSA-N 1 1 344.419 0.120 50 0 ECAAMO COc1ccc2nc(CCN(C)C(=O)C[C@@H]3COCC[NH2+]3)[nH]c2c1 ZINC000072134651 203165910 /nfs/dbraw/zinc/16/59/10/203165910.db2.gz YMLUQVZLIVDTMP-GFCCVEGCSA-N 1 1 332.404 0.951 50 0 ECAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCO ZINC000072147432 203171661 /nfs/dbraw/zinc/17/16/61/203171661.db2.gz FCINRCNOYWSPMN-KRWDZBQOSA-N 1 1 341.411 0.639 50 0 ECAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCO ZINC000072147432 203171665 /nfs/dbraw/zinc/17/16/65/203171665.db2.gz FCINRCNOYWSPMN-KRWDZBQOSA-N 1 1 341.411 0.639 50 0 ECAAMO O=S1(=O)C[C@@H](O)[C@H](Nc2nc(C3CCCC3)nc3c2C[NH2+]C3)C1 ZINC000072153284 203173939 /nfs/dbraw/zinc/17/39/39/203173939.db2.gz GZLHUTVQLHBAQQ-CHWSQXEVSA-N 1 1 338.433 0.307 50 0 ECAAMO CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3cc4ccccc4o3)CCN2)CC1 ZINC000072169673 203181223 /nfs/dbraw/zinc/18/12/23/203181223.db2.gz RAOKXOJPQGGIRU-KRWDZBQOSA-N 1 1 342.443 0.981 50 0 ECAAMO CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CCN2)CC1 ZINC000072169673 203181228 /nfs/dbraw/zinc/18/12/28/203181228.db2.gz RAOKXOJPQGGIRU-KRWDZBQOSA-N 1 1 342.443 0.981 50 0 ECAAMO Cc1cc(CC(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(C)nc2)on1 ZINC000072174503 203182079 /nfs/dbraw/zinc/18/20/79/203182079.db2.gz IMVIRNRBAKOTLD-HNNXBMFYSA-N 1 1 343.387 0.668 50 0 ECAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000077287384 203377160 /nfs/dbraw/zinc/37/71/60/203377160.db2.gz AFRABSCRNVZFKC-AWEZNQCLSA-N 1 1 345.403 0.370 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NC(C)(C)c2nnc(N)s2)C1 ZINC000097642017 203955644 /nfs/dbraw/zinc/95/56/44/203955644.db2.gz IWSOSDQNPAWMIO-SNVBAGLBSA-N 1 1 327.454 0.971 50 0 ECAAMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000108757603 204271674 /nfs/dbraw/zinc/27/16/74/204271674.db2.gz YTOVGTMJILNVNM-MRXNPFEDSA-N 1 1 337.464 0.816 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC000299777471 258087406 /nfs/dbraw/zinc/08/74/06/258087406.db2.gz OIUGOAZNUNWKAB-UKRRQHHQSA-N 1 1 331.376 0.447 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC000299777471 258087407 /nfs/dbraw/zinc/08/74/07/258087407.db2.gz OIUGOAZNUNWKAB-UKRRQHHQSA-N 1 1 331.376 0.447 50 0 ECAAMO Cc1nc2cc(CC(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2[nH]1 ZINC000299795821 258100281 /nfs/dbraw/zinc/10/02/81/258100281.db2.gz LCRYBCLUKALMNS-AWEZNQCLSA-N 1 1 343.431 0.727 50 0 ECAAMO Cc1nc2ccc(CC(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2[nH]1 ZINC000299795821 258100283 /nfs/dbraw/zinc/10/02/83/258100283.db2.gz LCRYBCLUKALMNS-AWEZNQCLSA-N 1 1 343.431 0.727 50 0 ECAAMO Cc1nc2ccc(CC(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2[nH]1 ZINC000299795821 258100284 /nfs/dbraw/zinc/10/02/84/258100284.db2.gz LCRYBCLUKALMNS-AWEZNQCLSA-N 1 1 343.431 0.727 50 0 ECAAMO C[N@H+](CCC(=O)N1CC(c2nccs2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000299801092 258103985 /nfs/dbraw/zinc/10/39/85/258103985.db2.gz VSGYPVNFSCHQDR-GFCCVEGCSA-N 1 1 343.474 0.578 50 0 ECAAMO C[N@@H+](CCC(=O)N1CC(c2nccs2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000299801092 258103987 /nfs/dbraw/zinc/10/39/87/258103987.db2.gz VSGYPVNFSCHQDR-GFCCVEGCSA-N 1 1 343.474 0.578 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000299756657 258074826 /nfs/dbraw/zinc/07/48/26/258074826.db2.gz CTCWYEVTEROVFT-KBPBESRZSA-N 1 1 341.433 0.931 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc3c[nH]nc32)C1 ZINC000299763007 258079079 /nfs/dbraw/zinc/07/90/79/258079079.db2.gz ODTCVAISZXGAGA-GFCCVEGCSA-N 1 1 330.392 0.882 50 0 ECAAMO O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000299767774 258082181 /nfs/dbraw/zinc/08/21/81/258082181.db2.gz KCBJWGPRTRLIIF-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000299767774 258082182 /nfs/dbraw/zinc/08/21/82/258082182.db2.gz KCBJWGPRTRLIIF-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299767349 258082190 /nfs/dbraw/zinc/08/21/90/258082190.db2.gz GCQOYKDQPYNFOE-HNNXBMFYSA-N 1 1 331.416 0.939 50 0 ECAAMO Cc1nc(NCCNC(=O)c2ncccn2)cc(N2CCOCC2)[nH+]1 ZINC000056906804 132198316 /nfs/dbraw/zinc/19/83/16/132198316.db2.gz NHFMVMQHIBVYIO-UHFFFAOYSA-N 1 1 343.391 0.254 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cn1 ZINC000091474545 292069297 /nfs/dbraw/zinc/06/92/97/292069297.db2.gz BOWOFPXMOAYIOG-IAGOWNOFSA-N 1 1 334.464 0.564 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cn1 ZINC000091474545 292069298 /nfs/dbraw/zinc/06/92/98/292069298.db2.gz BOWOFPXMOAYIOG-IAGOWNOFSA-N 1 1 334.464 0.564 50 0 ECAAMO COc1cc(C)ccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091974033 286211498 /nfs/dbraw/zinc/21/14/98/286211498.db2.gz QXPFWCJFDWYEIU-HUUCEWRRSA-N 1 1 336.432 0.608 50 0 ECAAMO CC(C)C[N@H+]1CCCC[C@H]1C(=O)NCC1(C(N)=O)CCOCC1 ZINC000056983467 277387805 /nfs/dbraw/zinc/38/78/05/277387805.db2.gz ZUZVKYCFQKTOBU-AWEZNQCLSA-N 1 1 325.453 0.895 50 0 ECAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000069533116 278328889 /nfs/dbraw/zinc/32/88/89/278328889.db2.gz LZBRJHIAZYGSER-GHMZBOCLSA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000069533116 278328890 /nfs/dbraw/zinc/32/88/90/278328890.db2.gz LZBRJHIAZYGSER-GHMZBOCLSA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H](C(N)=O)C1 ZINC000052961406 279184937 /nfs/dbraw/zinc/18/49/37/279184937.db2.gz AAERKQVRIBOKMO-RDBSUJKOSA-N 1 1 347.415 0.481 50 0 ECAAMO CC1(C)NC(=O)N(CC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1=O ZINC000065550781 281394454 /nfs/dbraw/zinc/39/44/54/281394454.db2.gz JCTKFEYZCIGLJB-AWEZNQCLSA-N 1 1 344.415 0.880 50 0 ECAAMO CC1(C)NC(=O)N(CC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1=O ZINC000065550781 281394456 /nfs/dbraw/zinc/39/44/56/281394456.db2.gz JCTKFEYZCIGLJB-AWEZNQCLSA-N 1 1 344.415 0.880 50 0 ECAAMO Cc1nc2c(c(N3CC[N@H+](C)C(C)(C)C3)n1)CC[NH+](CC(=O)[O-])CC2 ZINC000072479953 282009831 /nfs/dbraw/zinc/00/98/31/282009831.db2.gz BHLOCWZYOPNBQY-UHFFFAOYSA-N 1 1 347.463 0.801 50 0 ECAAMO Cc1nc2c(c(N3CC[NH+](C)C(C)(C)C3)n1)CC[N@H+](CC(=O)[O-])CC2 ZINC000072479953 282009837 /nfs/dbraw/zinc/00/98/37/282009837.db2.gz BHLOCWZYOPNBQY-UHFFFAOYSA-N 1 1 347.463 0.801 50 0 ECAAMO Cc1nc2c(c(N3CC[NH+](C)C(C)(C)C3)n1)CC[N@@H+](CC(=O)[O-])CC2 ZINC000072479953 282009845 /nfs/dbraw/zinc/00/98/45/282009845.db2.gz BHLOCWZYOPNBQY-UHFFFAOYSA-N 1 1 347.463 0.801 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccco1 ZINC000041976233 289284673 /nfs/dbraw/zinc/28/46/73/289284673.db2.gz QVCBYCMECFFMEN-RYUDHWBXSA-N 1 1 329.422 0.423 50 0 ECAAMO Cc1cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000334097630 297163320 /nfs/dbraw/zinc/16/33/20/297163320.db2.gz TWEYKPULGCGWAT-INIZCTEOSA-N 1 1 345.447 0.838 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000002636911 435968622 /nfs/dbraw/zinc/96/86/22/435968622.db2.gz DFPAWFRIDCJLIG-CYBMUJFWSA-N 1 1 339.461 0.725 50 0 ECAAMO CS(=O)(=O)c1ccc(-n2nnnc2C[NH2+]CCn2cccn2)cc1 ZINC000069919771 435975941 /nfs/dbraw/zinc/97/59/41/435975941.db2.gz SUVPTNWTQJLITP-UHFFFAOYSA-N 1 1 347.404 0.052 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000004498234 435981145 /nfs/dbraw/zinc/98/11/45/435981145.db2.gz AUPUKKSGPCMCKT-UHFFFAOYSA-N 1 1 325.434 0.860 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000069600885 435951089 /nfs/dbraw/zinc/95/10/89/435951089.db2.gz XMHZFIFYPFBAMF-DLBZAZTESA-N 1 1 337.468 0.443 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000008072026 436021900 /nfs/dbraw/zinc/02/19/00/436021900.db2.gz OMQUUYMYYRKFGO-LBPRGKRZSA-N 1 1 344.415 0.715 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000008072026 436021906 /nfs/dbraw/zinc/02/19/06/436021906.db2.gz OMQUUYMYYRKFGO-LBPRGKRZSA-N 1 1 344.415 0.715 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 ZINC000071871265 436022169 /nfs/dbraw/zinc/02/21/69/436022169.db2.gz OVEDPNARLSVRQX-CYBMUJFWSA-N 1 1 329.400 0.677 50 0 ECAAMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000071897058 436025873 /nfs/dbraw/zinc/02/58/73/436025873.db2.gz AAVIXPQCJBCDSB-CHWSQXEVSA-N 1 1 339.436 0.374 50 0 ECAAMO C[C@]1([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)NC(=O)NC1=O ZINC000072300705 436041670 /nfs/dbraw/zinc/04/16/70/436041670.db2.gz DHQNGBNXJQABCL-RDTXWAMCSA-N 1 1 344.415 0.613 50 0 ECAAMO C[NH+]1CCN(C2=N[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2)CC1 ZINC000013689929 436065419 /nfs/dbraw/zinc/06/54/19/436065419.db2.gz CLVFTKOKJZOBNA-CYBMUJFWSA-N 1 1 349.822 0.770 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000022935226 436121876 /nfs/dbraw/zinc/12/18/76/436121876.db2.gz VZJSTGKJFRYUBY-UHFFFAOYSA-N 1 1 346.475 0.891 50 0 ECAAMO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)C1=O ZINC000076059005 436189603 /nfs/dbraw/zinc/18/96/03/436189603.db2.gz WZCVOHDAXWYSQT-QWQRMKEZSA-N 1 1 344.415 0.865 50 0 ECAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000028727117 436191227 /nfs/dbraw/zinc/19/12/27/436191227.db2.gz DSOMGTAJVHCXSW-GFCCVEGCSA-N 1 1 341.433 0.186 50 0 ECAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000028727117 436191232 /nfs/dbraw/zinc/19/12/32/436191232.db2.gz DSOMGTAJVHCXSW-GFCCVEGCSA-N 1 1 341.433 0.186 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000079111163 436291522 /nfs/dbraw/zinc/29/15/22/436291522.db2.gz RQMJZYAEYDRVTJ-YOEHRIQHSA-N 1 1 346.431 0.614 50 0 ECAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 ZINC000042722869 436312561 /nfs/dbraw/zinc/31/25/61/436312561.db2.gz LYNGSGCUXCSDHA-OAHLLOKOSA-N 1 1 344.415 0.627 50 0 ECAAMO O=C(c1ccc2[nH]nnc2c1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000082133876 436362129 /nfs/dbraw/zinc/36/21/29/436362129.db2.gz XSRBWPABJJHJJJ-KRWDZBQOSA-N 1 1 340.431 0.810 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)[C@@H]1Cc2ccccc2O1 ZINC000046050649 436384896 /nfs/dbraw/zinc/38/48/96/436384896.db2.gz GSRFFQGDQHXCSN-NUJGCVRESA-N 1 1 346.427 0.844 50 0 ECAAMO NC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000048038266 436438741 /nfs/dbraw/zinc/43/87/41/436438741.db2.gz PFLAANFMDQIXEK-LLVKDONJSA-N 1 1 333.417 0.739 50 0 ECAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000048038266 436438745 /nfs/dbraw/zinc/43/87/45/436438745.db2.gz PFLAANFMDQIXEK-LLVKDONJSA-N 1 1 333.417 0.739 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048232234 436445098 /nfs/dbraw/zinc/44/50/98/436445098.db2.gz NPZGVXHNGYHAGP-ZDUSSCGKSA-N 1 1 341.415 0.782 50 0 ECAAMO CCn1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cn1 ZINC000091304522 436448805 /nfs/dbraw/zinc/44/88/05/436448805.db2.gz ICSZCZGMUXWIHX-IAGOWNOFSA-N 1 1 349.479 0.221 50 0 ECAAMO CCn1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cn1 ZINC000091304522 436448809 /nfs/dbraw/zinc/44/88/09/436448809.db2.gz ICSZCZGMUXWIHX-IAGOWNOFSA-N 1 1 349.479 0.221 50 0 ECAAMO CCn1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cn1 ZINC000091304522 436448811 /nfs/dbraw/zinc/44/88/11/436448811.db2.gz ICSZCZGMUXWIHX-IAGOWNOFSA-N 1 1 349.479 0.221 50 0 ECAAMO COc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1=O ZINC000091365099 436450071 /nfs/dbraw/zinc/45/00/71/436450071.db2.gz GYQMQWNPXOIKKO-ZDUSSCGKSA-N 1 1 343.387 0.164 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@@H]1CO ZINC000091381387 436450184 /nfs/dbraw/zinc/45/01/84/436450184.db2.gz LHPAYDCUKMAFJW-ZIAGYGMSSA-N 1 1 342.386 0.498 50 0 ECAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000091445285 436450598 /nfs/dbraw/zinc/45/05/98/436450598.db2.gz YUCLEVKLDLHPBO-AWEZNQCLSA-N 1 1 325.434 0.825 50 0 ECAAMO COc1ccc(COC[C@H](O)C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048344011 436451086 /nfs/dbraw/zinc/45/10/86/436451086.db2.gz POXVJIKMUMBKIA-HUUCEWRRSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000048344011 436451089 /nfs/dbraw/zinc/45/10/89/436451089.db2.gz POXVJIKMUMBKIA-HUUCEWRRSA-N 1 1 343.445 0.692 50 0 ECAAMO CN1CC[C@]2(CN(C(=O)Cc3cccnc3)CC[N@H+]2C)CCC1=O ZINC000091587385 436454415 /nfs/dbraw/zinc/45/44/15/436454415.db2.gz LWTRNYWUBKEGQQ-SFHVURJKSA-N 1 1 330.432 0.779 50 0 ECAAMO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cn1 ZINC000091620437 436455573 /nfs/dbraw/zinc/45/55/73/436455573.db2.gz UYWPDPIWIGVTQW-QZTJIDSGSA-N 1 1 347.507 0.435 50 0 ECAAMO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cn1 ZINC000091620437 436455576 /nfs/dbraw/zinc/45/55/76/436455576.db2.gz UYWPDPIWIGVTQW-QZTJIDSGSA-N 1 1 347.507 0.435 50 0 ECAAMO COCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)ncn1 ZINC000091678098 436456318 /nfs/dbraw/zinc/45/63/18/436456318.db2.gz DBFRZNILELSIAM-QGZVFWFLSA-N 1 1 333.436 0.756 50 0 ECAAMO COc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCCNC2=O ZINC000092003789 436465493 /nfs/dbraw/zinc/46/54/93/436465493.db2.gz CSVXIEIZHWGXJC-SFHVURJKSA-N 1 1 331.416 0.914 50 0 ECAAMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C)C[C@H]3C)cnc21 ZINC000089960696 436424186 /nfs/dbraw/zinc/42/41/86/436424186.db2.gz OXCCPBHIRDQJLJ-LLVKDONJSA-N 1 1 345.403 0.271 50 0 ECAAMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C)cnc21 ZINC000089960696 436424190 /nfs/dbraw/zinc/42/41/90/436424190.db2.gz OXCCPBHIRDQJLJ-LLVKDONJSA-N 1 1 345.403 0.271 50 0 ECAAMO C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000049551725 436468908 /nfs/dbraw/zinc/46/89/08/436468908.db2.gz RTMPVIOKCJOLNL-CYBMUJFWSA-N 1 1 333.432 0.952 50 0 ECAAMO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000051590533 436491405 /nfs/dbraw/zinc/49/14/05/436491405.db2.gz BEVPSOISHZORLM-UHFFFAOYSA-N 1 1 347.459 0.796 50 0 ECAAMO Cn1cccc1C(=O)C(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095384987 436493625 /nfs/dbraw/zinc/49/36/25/436493625.db2.gz GENIYIZAUGWSBF-GOSISDBHSA-N 1 1 346.431 0.363 50 0 ECAAMO Cn1cccc1C(=O)C(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095384987 436493628 /nfs/dbraw/zinc/49/36/28/436493628.db2.gz GENIYIZAUGWSBF-GOSISDBHSA-N 1 1 346.431 0.363 50 0 ECAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)NCc1cccc(F)c1 ZINC000095411099 436494652 /nfs/dbraw/zinc/49/46/52/436494652.db2.gz VKDHLEBJNWZIRU-INIZCTEOSA-N 1 1 338.427 0.575 50 0 ECAAMO COc1cccc(C[NH+]2CCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000095499061 436496694 /nfs/dbraw/zinc/49/66/94/436496694.db2.gz QODOQKHTFYKIFU-INIZCTEOSA-N 1 1 336.432 0.973 50 0 ECAAMO COCC(=O)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000096279827 436529799 /nfs/dbraw/zinc/52/97/99/436529799.db2.gz QTDNIWUOXFRBRH-SJORKVTESA-N 1 1 345.443 0.649 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096441621 436532493 /nfs/dbraw/zinc/53/24/93/436532493.db2.gz MUFCEXAVFPXVIF-JTQLQIEISA-N 1 1 330.372 0.812 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096441621 436532496 /nfs/dbraw/zinc/53/24/96/436532496.db2.gz MUFCEXAVFPXVIF-JTQLQIEISA-N 1 1 330.372 0.812 50 0 ECAAMO CC(=O)N1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@H](O)C1 ZINC000097634928 436544530 /nfs/dbraw/zinc/54/45/30/436544530.db2.gz PYEUGBQMRMGMAK-SFHVURJKSA-N 1 1 328.416 0.956 50 0 ECAAMO Cc1ccc([C@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000058264929 436622139 /nfs/dbraw/zinc/62/21/39/436622139.db2.gz TYGQIRAHVDBGRL-HNNXBMFYSA-N 1 1 327.450 0.764 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CCOC)CC1 ZINC000058306968 436624484 /nfs/dbraw/zinc/62/44/84/436624484.db2.gz UWKAIXVKUOPBCI-OAHLLOKOSA-N 1 1 334.420 0.447 50 0 ECAAMO C[C@H](CNC(=O)NCCNc1cnccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106100930 436590467 /nfs/dbraw/zinc/59/04/67/436590467.db2.gz IAOQKJVCYIAACI-MGPQQGTHSA-N 1 1 336.440 0.685 50 0 ECAAMO CC[C@@H]1CN([C@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000106868195 436603007 /nfs/dbraw/zinc/60/30/07/436603007.db2.gz MMRUIOZJBSDBAY-GVDBMIGSSA-N 1 1 340.512 0.316 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]2C)CC1 ZINC000107141938 436608013 /nfs/dbraw/zinc/60/80/13/436608013.db2.gz XGHKHOOJWCLGMF-RHSMWYFYSA-N 1 1 336.480 0.530 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000107142656 436608208 /nfs/dbraw/zinc/60/82/08/436608208.db2.gz XEPCEEAHFJNHQE-BLLLJJGKSA-N 1 1 339.461 0.594 50 0 ECAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)C1=O ZINC000107059238 436608635 /nfs/dbraw/zinc/60/86/35/436608635.db2.gz WZCVOHDAXWYSQT-PMUMKWKESA-N 1 1 344.415 0.865 50 0 ECAAMO CC(C)[C@H](CNC(=O)NCc1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000061646390 436637774 /nfs/dbraw/zinc/63/77/74/436637774.db2.gz UFRPABBYXKUGFW-ZDUSSCGKSA-N 1 1 336.440 0.380 50 0 ECAAMO O=C(Cn1nnc(COc2ccccc2)n1)N1CC[NH+](C2CC2)CC1 ZINC000062639987 436640991 /nfs/dbraw/zinc/64/09/91/436640991.db2.gz XEVLGWNFQXGTRQ-UHFFFAOYSA-N 1 1 342.403 0.559 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2cc(N3CCOCC3)nc(N)n2)C1 ZINC000065403484 436658244 /nfs/dbraw/zinc/65/82/44/436658244.db2.gz VEZJEIAGENHBSB-CYBMUJFWSA-N 1 1 332.452 0.958 50 0 ECAAMO Cc1[nH+]cn(CCNC(=O)CNS(=O)(=O)c2cccs2)c1C ZINC000221203452 436701316 /nfs/dbraw/zinc/70/13/16/436701316.db2.gz PPURTIVESLCSFF-UHFFFAOYSA-N 1 1 342.446 0.656 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1csc(N)n1 ZINC000223566133 436707413 /nfs/dbraw/zinc/70/74/13/436707413.db2.gz ZAZXWHJMDCAMRP-LBPRGKRZSA-N 1 1 339.465 0.373 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCc1csc(N)n1 ZINC000223566133 436707418 /nfs/dbraw/zinc/70/74/18/436707418.db2.gz ZAZXWHJMDCAMRP-LBPRGKRZSA-N 1 1 339.465 0.373 50 0 ECAAMO CN1CCn2nc(C(=O)NC[C@H](c3ccccn3)[NH+](C)C)cc2C1 ZINC000065452559 436661506 /nfs/dbraw/zinc/66/15/06/436661506.db2.gz OQMFOELGSKBHFR-MRXNPFEDSA-N 1 1 328.420 0.756 50 0 ECAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000065589132 436668375 /nfs/dbraw/zinc/66/83/75/436668375.db2.gz FFYITWIAIYEBPZ-NSHDSACASA-N 1 1 335.408 0.443 50 0 ECAAMO Cc1ccc2[nH]nc(C(=O)N3CCC4(CC3)[NH2+]CCNC4=O)c2c1 ZINC000067921845 436728518 /nfs/dbraw/zinc/72/85/18/436728518.db2.gz NRPMIHZGXQFQQX-UHFFFAOYSA-N 1 1 327.388 0.566 50 0 ECAAMO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[N@H+]1CCCNC(=O)C1 ZINC000067934276 436728720 /nfs/dbraw/zinc/72/87/20/436728720.db2.gz SMDWFXDJFULTCF-IBGZPJMESA-N 1 1 345.443 0.405 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000229828614 436716695 /nfs/dbraw/zinc/71/66/95/436716695.db2.gz QZFIZHZKWMGRDE-RYQLBKOJSA-N 1 1 339.480 0.666 50 0 ECAAMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229562451 436717294 /nfs/dbraw/zinc/71/72/94/436717294.db2.gz ACFCQIQUIMDXAY-HUUCEWRRSA-N 1 1 348.451 0.786 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000248120764 436801300 /nfs/dbraw/zinc/80/13/00/436801300.db2.gz JZPCTRHIXAYRDK-ZIAGYGMSSA-N 1 1 348.447 0.936 50 0 ECAAMO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)cc1 ZINC000257194284 436859370 /nfs/dbraw/zinc/85/93/70/436859370.db2.gz SYVDGTINHLNIIL-MAUKXSAKSA-N 1 1 348.443 0.826 50 0 ECAAMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257196871 436859387 /nfs/dbraw/zinc/85/93/87/436859387.db2.gz ZAJSWEOEYXMJAN-JKSUJKDBSA-N 1 1 331.416 0.218 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000257365937 436876203 /nfs/dbraw/zinc/87/62/03/436876203.db2.gz CRNVFGAAYOKHHB-HUUCEWRRSA-N 1 1 337.420 0.178 50 0 ECAAMO O=C(Cc1[nH]nc2ccccc21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186601929 437477913 /nfs/dbraw/zinc/47/79/13/437477913.db2.gz OIQHFBFFTUWNBB-ZDUSSCGKSA-N 1 1 341.415 0.528 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)s1 ZINC000187155798 437493777 /nfs/dbraw/zinc/49/37/77/437493777.db2.gz MDOCBFAXBKOENH-SNVBAGLBSA-N 1 1 331.463 0.409 50 0 ECAAMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC(=O)N1 ZINC000192229899 437671938 /nfs/dbraw/zinc/67/19/38/437671938.db2.gz WNMZQZHLKLSZIS-JKSUJKDBSA-N 1 1 331.416 0.672 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426431336 438059198 /nfs/dbraw/zinc/05/91/98/438059198.db2.gz PTVSQBNNHHUZCT-AWEZNQCLSA-N 1 1 340.449 0.102 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426431336 438059205 /nfs/dbraw/zinc/05/92/05/438059205.db2.gz PTVSQBNNHHUZCT-AWEZNQCLSA-N 1 1 340.449 0.102 50 0 ECAAMO CCOC(=O)N1CCC(Nc2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426493994 438063278 /nfs/dbraw/zinc/06/32/78/438063278.db2.gz JGCXDMYXURJAPY-LLVKDONJSA-N 1 1 335.408 1.017 50 0 ECAAMO [NH3+]CCOc1cccc(CC(=O)N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000426517971 438063669 /nfs/dbraw/zinc/06/36/69/438063669.db2.gz SGBFMYOTGBSNKF-UHFFFAOYSA-N 1 1 344.419 0.029 50 0 ECAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)C1 ZINC000426653015 438069617 /nfs/dbraw/zinc/06/96/17/438069617.db2.gz UWOYVSPPUXAWHR-CYBMUJFWSA-N 1 1 349.435 0.874 50 0 ECAAMO CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426651999 438070101 /nfs/dbraw/zinc/07/01/01/438070101.db2.gz NIQZKPZQDNBGQO-HUUCEWRRSA-N 1 1 349.431 0.339 50 0 ECAAMO CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426651999 438070105 /nfs/dbraw/zinc/07/01/05/438070105.db2.gz NIQZKPZQDNBGQO-HUUCEWRRSA-N 1 1 349.431 0.339 50 0 ECAAMO C[NH+]1CCN(C(=O)CCN2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000374781644 438228438 /nfs/dbraw/zinc/22/84/38/438228438.db2.gz SVRAAAWLHLCBNE-UHFFFAOYSA-N 1 1 346.357 0.277 50 0 ECAAMO CNC(=O)[C@H]1C[N@@H+](Cc2cccnc2OC)C[C@@H]1c1cnn(C)c1 ZINC000375454621 438254823 /nfs/dbraw/zinc/25/48/23/438254823.db2.gz KMYPLAXTWNOIFQ-CABCVRRESA-N 1 1 329.404 0.785 50 0 ECAAMO CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@H]1C[N@H+]3CCN1CCC3)O2 ZINC000408513846 438581704 /nfs/dbraw/zinc/58/17/04/438581704.db2.gz UFKPPYIXWDSBMN-GARNVTTQSA-N 1 1 337.464 0.814 50 0 ECAAMO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000585113878 439631163 /nfs/dbraw/zinc/63/11/63/439631163.db2.gz LWHNIGMKHAOVBT-KBPBESRZSA-N 1 1 344.477 0.523 50 0 ECAAMO CC[N@@H+](CCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C1CC1 ZINC000585131919 439634464 /nfs/dbraw/zinc/63/44/64/439634464.db2.gz KARAXZTZBDIJGY-QWRGUYRKSA-N 1 1 342.383 0.810 50 0 ECAAMO O=C(C[C@H]1CCOC1)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000584885484 439624062 /nfs/dbraw/zinc/62/40/62/439624062.db2.gz OEMHTQFLQRTUGE-OAHLLOKOSA-N 1 1 325.453 0.014 50 0 ECAAMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C1=O ZINC000585094360 439627707 /nfs/dbraw/zinc/62/77/07/439627707.db2.gz OHDAUGZAQJHJQC-RDBSUJKOSA-N 1 1 326.437 0.879 50 0 ECAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000181049071 534026275 /nfs/dbraw/zinc/02/62/75/534026275.db2.gz OFMCBJFSWNECSU-HIFRSBDPSA-N 1 1 334.420 0.403 50 0 ECAAMO Nc1nc(N2C[C@H]3C[N@@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000097402571 545730700 /nfs/dbraw/zinc/73/07/00/545730700.db2.gz ADEKUVMREBACPX-BDJLRTHQSA-N 1 1 333.392 0.061 50 0 ECAAMO Nc1nc(N2C[C@H]3C[N@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000097402571 545730706 /nfs/dbraw/zinc/73/07/06/545730706.db2.gz ADEKUVMREBACPX-BDJLRTHQSA-N 1 1 333.392 0.061 50 0 ECAAMO NC(=O)Cc1cccc(NC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000097551338 545732788 /nfs/dbraw/zinc/73/27/88/545732788.db2.gz PTDUUDPUAIHYHQ-CQSZACIVSA-N 1 1 334.420 0.540 50 0 ECAAMO O=C(c1cnc(-c2cccs2)nc1)N1CC[N@@H+](CCO)C[C@@H](O)C1 ZINC000097547664 545733053 /nfs/dbraw/zinc/73/30/53/545733053.db2.gz LHSITDBQQVQRMX-CYBMUJFWSA-N 1 1 348.428 0.316 50 0 ECAAMO O=C(c1cnc(-c2cccs2)nc1)N1CC[N@H+](CCO)C[C@@H](O)C1 ZINC000097547664 545733056 /nfs/dbraw/zinc/73/30/56/545733056.db2.gz LHSITDBQQVQRMX-CYBMUJFWSA-N 1 1 348.428 0.316 50 0 ECAAMO C[NH+]1CCC(N2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)CC1 ZINC000244734440 545935841 /nfs/dbraw/zinc/93/58/41/545935841.db2.gz NFNIQQMLVLUDNI-UHFFFAOYSA-N 1 1 346.479 0.513 50 0 ECAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnnn1C ZINC000330160684 546040114 /nfs/dbraw/zinc/04/01/14/546040114.db2.gz RGYXIRREOFDBBR-OAHLLOKOSA-N 1 1 349.460 0.958 50 0 ECAAMO COCCOCC[NH+]1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000585090093 546287650 /nfs/dbraw/zinc/28/76/50/546287650.db2.gz ACMSMPYQENGUJW-UHFFFAOYSA-N 1 1 341.496 0.964 50 0 ECAAMO CS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000670452475 548014303 /nfs/dbraw/zinc/01/43/03/548014303.db2.gz GPGIILJZWPENHU-ZDUSSCGKSA-N 1 1 331.482 0.697 50 0 ECAAMO COCC1CCN(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000670460670 548016704 /nfs/dbraw/zinc/01/67/04/548016704.db2.gz XYIJUAPGRBPDHE-HNNXBMFYSA-N 1 1 333.498 0.863 50 0 ECAAMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000585085992 586415001 /nfs/dbraw/zinc/41/50/01/586415001.db2.gz PHWQMJBRANXWJR-HNNXBMFYSA-N 1 1 333.432 0.907 50 0 ECAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cc(OC)ccc3OC)C[C@H]2C1=O ZINC000169751591 609744878 /nfs/dbraw/zinc/74/48/78/609744878.db2.gz KKSAHRLZAMWOGG-GASCZTMLSA-N 1 1 348.399 0.767 50 0 ECAAMO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000952973707 612138883 /nfs/dbraw/zinc/13/88/83/612138883.db2.gz YJPWNZXDDRSIEH-CYBMUJFWSA-N 1 1 338.495 0.310 50 0 ECAAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000952973707 612138884 /nfs/dbraw/zinc/13/88/84/612138884.db2.gz YJPWNZXDDRSIEH-CYBMUJFWSA-N 1 1 338.495 0.310 50 0 ECAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccnn3C)CC2)C12CCOCC2 ZINC000581802559 738445915 /nfs/dbraw/zinc/44/59/15/738445915.db2.gz MQVPEKNERMDCKD-MRXNPFEDSA-N 1 1 348.447 0.905 50 0 ECAAMO CC(C)C(=O)N1CCn2c(nnc2[C@@H]2C[C@H](O)C[N@@H+]2CC2CC2)C1 ZINC000675018643 741338861 /nfs/dbraw/zinc/33/88/61/741338861.db2.gz XUMNLOMEPHZXIA-KBPBESRZSA-N 1 1 333.436 0.794 50 0 ECAAMO CC(C)C(=O)N1CCn2c(nnc2[C@@H]2C[C@H](O)C[N@H+]2CC2CC2)C1 ZINC000675018643 741338864 /nfs/dbraw/zinc/33/88/64/741338864.db2.gz XUMNLOMEPHZXIA-KBPBESRZSA-N 1 1 333.436 0.794 50 0 ECAAMO Cc1[nH+]ccn1CC(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 ZINC000023429154 202104502 /nfs/dbraw/zinc/10/45/02/202104502.db2.gz VDKGBDNRULTFCH-GFCCVEGCSA-N 1 1 332.408 0.775 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000070007718 202303271 /nfs/dbraw/zinc/30/32/71/202303271.db2.gz VZYFXAUEDHRFSA-JKSUJKDBSA-N 1 1 347.463 0.749 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000070007718 202303274 /nfs/dbraw/zinc/30/32/74/202303274.db2.gz VZYFXAUEDHRFSA-JKSUJKDBSA-N 1 1 347.463 0.749 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000072234623 202357140 /nfs/dbraw/zinc/35/71/40/202357140.db2.gz RCSPLLBNNYMZHP-GFCCVEGCSA-N 1 1 328.438 0.548 50 0 ECAAMO C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000076053795 202384817 /nfs/dbraw/zinc/38/48/17/202384817.db2.gz NOPGRRXMRATDOX-PMPSAXMXSA-N 1 1 326.437 0.751 50 0 ECAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047418 202386280 /nfs/dbraw/zinc/38/62/80/202386280.db2.gz YTGQOQYOAVMSFK-CABCVRRESA-N 1 1 348.451 0.957 50 0 ECAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCOCC1 ZINC000072293087 216128230 /nfs/dbraw/zinc/12/82/30/216128230.db2.gz MBJCWPPZSNFCEH-SFHVURJKSA-N 1 1 347.459 0.726 50 0 ECAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCOCC1 ZINC000072293087 216128231 /nfs/dbraw/zinc/12/82/31/216128231.db2.gz MBJCWPPZSNFCEH-SFHVURJKSA-N 1 1 347.459 0.726 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000249698677 201180845 /nfs/dbraw/zinc/18/08/45/201180845.db2.gz WCBFRXDRKCQJLI-UONOGXRCSA-N 1 1 331.482 0.791 50 0 ECAAMO CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)S(C)(=O)=O ZINC000047454966 202582509 /nfs/dbraw/zinc/58/25/09/202582509.db2.gz FELPNTGBBLIUCA-ZDUSSCGKSA-N 1 1 347.868 0.950 50 0 ECAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000022606604 212310199 /nfs/dbraw/zinc/31/01/99/212310199.db2.gz QEYAVNOYRCDYMP-UHFFFAOYSA-N 1 1 325.434 0.222 50 0 ECAAMO CC[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1COc2ccccc2O1 ZINC000229650318 242186258 /nfs/dbraw/zinc/18/62/58/242186258.db2.gz RNCPQHPHFLGVAP-HZPDHXFCSA-N 1 1 336.432 0.841 50 0 ECAAMO CCc1nnc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)s1 ZINC000244873377 243090398 /nfs/dbraw/zinc/09/03/98/243090398.db2.gz WPEBNKBWLUVIRL-SNVBAGLBSA-N 1 1 325.438 0.316 50 0 ECAAMO CCc1nnc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)s1 ZINC000244873377 243090402 /nfs/dbraw/zinc/09/04/02/243090402.db2.gz WPEBNKBWLUVIRL-SNVBAGLBSA-N 1 1 325.438 0.316 50 0 ECAAMO CNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000069442710 203002214 /nfs/dbraw/zinc/00/22/14/203002214.db2.gz BGOQEHWMOLVQML-UHFFFAOYSA-N 1 1 336.367 0.932 50 0 ECAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069517736 203013154 /nfs/dbraw/zinc/01/31/54/203013154.db2.gz RCCLQVGRYYQGBW-MGPQQGTHSA-N 1 1 346.497 0.186 50 0 ECAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069517736 203013158 /nfs/dbraw/zinc/01/31/58/203013158.db2.gz RCCLQVGRYYQGBW-MGPQQGTHSA-N 1 1 346.497 0.186 50 0 ECAAMO Cc1cccn2c(C[N@@H+]3CC[C@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405774 203094959 /nfs/dbraw/zinc/09/49/59/203094959.db2.gz RMNXPBSYONWZIK-AWEZNQCLSA-N 1 1 344.415 0.682 50 0 ECAAMO Cc1cccn2c(C[N@H+]3CC[C@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405774 203094962 /nfs/dbraw/zinc/09/49/62/203094962.db2.gz RMNXPBSYONWZIK-AWEZNQCLSA-N 1 1 344.415 0.682 50 0 ECAAMO C[C@H](C(=O)NCCCNS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000071897858 203142965 /nfs/dbraw/zinc/14/29/65/203142965.db2.gz TYGUFVWTZQQCGK-CYBMUJFWSA-N 1 1 339.461 0.489 50 0 ECAAMO C[C@H](C(=O)NCCCNS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000071897858 203142968 /nfs/dbraw/zinc/14/29/68/203142968.db2.gz TYGUFVWTZQQCGK-CYBMUJFWSA-N 1 1 339.461 0.489 50 0 ECAAMO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)CCN1CCOCC1 ZINC000071907396 203144950 /nfs/dbraw/zinc/14/49/50/203144950.db2.gz SPHWAZYCYQNSSE-UHFFFAOYSA-N 1 1 340.449 0.440 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000071871050 203132454 /nfs/dbraw/zinc/13/24/54/203132454.db2.gz IKXJSFBHSRGGAS-ZDUSSCGKSA-N 1 1 333.388 0.510 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000071871424 203132723 /nfs/dbraw/zinc/13/27/23/203132723.db2.gz ZQJXAPDUKHLULZ-HNNXBMFYSA-N 1 1 333.432 0.662 50 0 ECAAMO COCC[N@@H+](C)CCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000071916709 203150632 /nfs/dbraw/zinc/15/06/32/203150632.db2.gz VTTCGKRWKWOOIC-SFHVURJKSA-N 1 1 349.475 0.972 50 0 ECAAMO Cc1cc(CC(=O)N2CC[NH2+]C[C@@H]2C(=O)NCc2ccncc2)on1 ZINC000072154029 203174454 /nfs/dbraw/zinc/17/44/54/203174454.db2.gz ZYLOZTHQKSXFGY-OAHLLOKOSA-N 1 1 343.387 0.037 50 0 ECAAMO O=C(c1ccccn1)N1CCC([N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)CC1 ZINC000072154989 203174501 /nfs/dbraw/zinc/17/45/01/203174501.db2.gz NMRJNWFIDYJDEN-PURYLZLUSA-N 1 1 345.443 0.750 50 0 ECAAMO CCCc1ncncc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072156721 203174935 /nfs/dbraw/zinc/17/49/35/203174935.db2.gz FMWHBPXFBRILQI-HNNXBMFYSA-N 1 1 331.420 0.466 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000072269899 203187718 /nfs/dbraw/zinc/18/77/18/203187718.db2.gz FCYBDWIPZDXGNQ-AWEZNQCLSA-N 1 1 333.436 0.606 50 0 ECAAMO Cc1ncc(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000072438206 203224550 /nfs/dbraw/zinc/22/45/50/203224550.db2.gz PUCFXARLBZQTER-TXEJJXNPSA-N 1 1 334.420 0.792 50 0 ECAAMO CC(C)c1cc(N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)n2nccc2n1 ZINC000072477666 203232003 /nfs/dbraw/zinc/23/20/03/203232003.db2.gz QIYCNBNRRJKZFG-HOTGVXAUSA-N 1 1 344.463 0.650 50 0 ECAAMO CC(C)c1cc(N2C[C@H](O)[C@@H]([NH+]3CCN(C)CC3)C2)n2nccc2n1 ZINC000072477666 203232007 /nfs/dbraw/zinc/23/20/07/203232007.db2.gz QIYCNBNRRJKZFG-HOTGVXAUSA-N 1 1 344.463 0.650 50 0 ECAAMO CC(C)=CC[N@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@@H]1CCO ZINC000072409419 203217097 /nfs/dbraw/zinc/21/70/97/203217097.db2.gz BAFQJVRJBXZLQT-LBPRGKRZSA-N 1 1 331.424 0.774 50 0 ECAAMO CCC(=O)Nc1cccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000076092450 203337287 /nfs/dbraw/zinc/33/72/87/203337287.db2.gz YARJYKCOMFRZBM-SFHVURJKSA-N 1 1 349.431 0.848 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(Br)cc1 ZINC000019877832 212078481 /nfs/dbraw/zinc/07/84/81/212078481.db2.gz XRAVVERLYGVDLV-UHFFFAOYSA-N 1 1 342.237 0.998 50 0 ECAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000077387150 203385262 /nfs/dbraw/zinc/38/52/62/203385262.db2.gz YSPCOCKTNAZJHY-AWEZNQCLSA-N 1 1 345.403 0.582 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000048374525 204351072 /nfs/dbraw/zinc/35/10/72/204351072.db2.gz AAHWIGSIPYANPG-AWEZNQCLSA-N 1 1 348.403 0.944 50 0 ECAAMO COc1ccccc1-n1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cn1 ZINC000237110301 204382012 /nfs/dbraw/zinc/38/20/12/204382012.db2.gz JOMUBAZAXLKLMY-LBPRGKRZSA-N 1 1 336.417 0.863 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000095402706 218337848 /nfs/dbraw/zinc/33/78/48/218337848.db2.gz XZXYTNIBZCKFNY-AGIUHOORSA-N 1 1 349.435 0.372 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000095402706 218337850 /nfs/dbraw/zinc/33/78/50/218337850.db2.gz XZXYTNIBZCKFNY-AGIUHOORSA-N 1 1 349.435 0.372 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299791532 258096820 /nfs/dbraw/zinc/09/68/20/258096820.db2.gz FAVBRJRCMOKXKP-PHIMTYICSA-N 1 1 338.408 0.354 50 0 ECAAMO O=C(NCc1cc2n(n1)CCN(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCC1 ZINC000299758469 258076018 /nfs/dbraw/zinc/07/60/18/258076018.db2.gz NHVMXPSGRIMDGQ-FVQHAEBGSA-N 1 1 329.448 0.580 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299767352 258082068 /nfs/dbraw/zinc/08/20/68/258082068.db2.gz GCQOYKDQPYNFOE-OAHLLOKOSA-N 1 1 331.416 0.939 50 0 ECAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000331467759 296933952 /nfs/dbraw/zinc/93/39/52/296933952.db2.gz QYJDBQYGBRUSED-CYBMUJFWSA-N 1 1 349.416 0.539 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069700712 274198637 /nfs/dbraw/zinc/19/86/37/274198637.db2.gz QZWOQKFNSYXODI-NSHDSACASA-N 1 1 330.392 0.658 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CCCCN2C(C)=O)CC1 ZINC000070040854 276535962 /nfs/dbraw/zinc/53/59/62/276535962.db2.gz URIKUYSDJYHQQU-HZPDHXFCSA-N 1 1 325.453 0.693 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502376 278190775 /nfs/dbraw/zinc/19/07/75/278190775.db2.gz XYRDYQUAEDDOPA-JSGCOSHPSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502376 278190777 /nfs/dbraw/zinc/19/07/77/278190777.db2.gz XYRDYQUAEDDOPA-JSGCOSHPSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@H](C)O1 ZINC000229687624 288200838 /nfs/dbraw/zinc/20/08/38/288200838.db2.gz UFUGTQFKZNJTPU-HZSPNIEDSA-N 1 1 336.436 0.695 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@H](C)O1 ZINC000229687624 288200839 /nfs/dbraw/zinc/20/08/39/288200839.db2.gz UFUGTQFKZNJTPU-HZSPNIEDSA-N 1 1 336.436 0.695 50 0 ECAAMO Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)sc2[nH]cnc(=O)c12 ZINC000222221643 280219824 /nfs/dbraw/zinc/21/98/24/280219824.db2.gz BTYIPYKQKBKQTQ-SASUGWTJSA-N 1 1 348.428 0.740 50 0 ECAAMO CCn1cc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000043645400 288698114 /nfs/dbraw/zinc/69/81/14/288698114.db2.gz VAGUONLJWLZTPS-UKRRQHHQSA-N 1 1 337.424 0.762 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069777780 435965460 /nfs/dbraw/zinc/96/54/60/435965460.db2.gz STXVJZWWHLWFCQ-CQSZACIVSA-N 1 1 349.431 0.543 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccco1 ZINC000003406507 435974323 /nfs/dbraw/zinc/97/43/23/435974323.db2.gz NBMTVHLMMAFHGK-CYBMUJFWSA-N 1 1 342.355 0.842 50 0 ECAAMO CCn1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004225208 435977938 /nfs/dbraw/zinc/97/79/38/435977938.db2.gz JVPTYZAZKTYKAM-VXGBXAGGSA-N 1 1 333.436 0.932 50 0 ECAAMO CCc1nc(CN2CCC[C@H]([N@@H+](C)C[C@H](O)Cn3cccn3)C2)no1 ZINC000071882287 436023898 /nfs/dbraw/zinc/02/38/98/436023898.db2.gz ACFCQIQUIMDXAY-GJZGRUSLSA-N 1 1 348.451 0.786 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1 ZINC000072300740 436041446 /nfs/dbraw/zinc/04/14/46/436041446.db2.gz GDHZVGKGNNIXHM-KDOFPFPSSA-N 1 1 344.415 0.856 50 0 ECAAMO C[C@@]1([C@@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)NC(=O)NC1=O ZINC000072300814 436042879 /nfs/dbraw/zinc/04/28/79/436042879.db2.gz MVSOKDARFGDPEC-ACJLOTCBSA-N 1 1 348.447 0.601 50 0 ECAAMO CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011768114 436048526 /nfs/dbraw/zinc/04/85/26/436048526.db2.gz FRPLSPIZLUNFPV-INIZCTEOSA-N 1 1 347.459 0.554 50 0 ECAAMO CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011768114 436048531 /nfs/dbraw/zinc/04/85/31/436048531.db2.gz FRPLSPIZLUNFPV-INIZCTEOSA-N 1 1 347.459 0.554 50 0 ECAAMO C[N@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1cccs1 ZINC000014189556 436070730 /nfs/dbraw/zinc/07/07/30/436070730.db2.gz HGHYXQMKIVEKCC-UHFFFAOYSA-N 1 1 331.463 0.284 50 0 ECAAMO C[N@@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1cccs1 ZINC000014189556 436070736 /nfs/dbraw/zinc/07/07/36/436070736.db2.gz HGHYXQMKIVEKCC-UHFFFAOYSA-N 1 1 331.463 0.284 50 0 ECAAMO CCN1CCN(c2ncc(C(=O)NCC[NH+](CC)CC)c(C)n2)CC1 ZINC000021638387 436112944 /nfs/dbraw/zinc/11/29/44/436112944.db2.gz WVFGKVGHCJABRC-UHFFFAOYSA-N 1 1 348.495 0.999 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)nn1 ZINC000075163249 436155239 /nfs/dbraw/zinc/15/52/39/436155239.db2.gz MFANFFDYVKJNJU-UHFFFAOYSA-N 1 1 348.432 0.585 50 0 ECAAMO Cc1nc(CN2CCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)CC2)no1 ZINC000075603168 436167621 /nfs/dbraw/zinc/16/76/21/436167621.db2.gz GXQZKXHMTGMHPL-CYBMUJFWSA-N 1 1 337.424 0.133 50 0 ECAAMO Cc1nc(CN2CCC[N@H+](CC(=O)N3CCO[C@H](C)C3)CC2)no1 ZINC000075603168 436167627 /nfs/dbraw/zinc/16/76/27/436167627.db2.gz GXQZKXHMTGMHPL-CYBMUJFWSA-N 1 1 337.424 0.133 50 0 ECAAMO C[C@@H]1C[NH+](CCNC(=O)c2cnc3sccn3c2=O)C[C@@H](C)O1 ZINC000040489267 436265370 /nfs/dbraw/zinc/26/53/70/436265370.db2.gz QKHUDQOZJFFDLK-GHMZBOCLSA-N 1 1 336.417 0.595 50 0 ECAAMO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040512865 436266494 /nfs/dbraw/zinc/26/64/94/436266494.db2.gz YKRPKJQLFKQLRL-MELADBBJSA-N 1 1 347.419 0.110 50 0 ECAAMO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040512865 436266499 /nfs/dbraw/zinc/26/64/99/436266499.db2.gz YKRPKJQLFKQLRL-MELADBBJSA-N 1 1 347.419 0.110 50 0 ECAAMO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1C(N)=O ZINC000040528209 436267266 /nfs/dbraw/zinc/26/72/66/436267266.db2.gz HOIJGXVKVFBWTB-NWDGAFQWSA-N 1 1 326.422 0.029 50 0 ECAAMO COCc1nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000078788470 436278754 /nfs/dbraw/zinc/27/87/54/436278754.db2.gz DSPPUQMYYTUFDA-CHWSQXEVSA-N 1 1 325.434 0.961 50 0 ECAAMO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](CCn3cncn3)C2)o1 ZINC000083827836 436377733 /nfs/dbraw/zinc/37/77/33/436377733.db2.gz FROXLHBMOKMNDC-CQSZACIVSA-N 1 1 332.408 0.952 50 0 ECAAMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000085822351 436391891 /nfs/dbraw/zinc/39/18/91/436391891.db2.gz NPYGCXWJIXURME-GHMZBOCLSA-N 1 1 330.372 0.657 50 0 ECAAMO C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000044967888 436356860 /nfs/dbraw/zinc/35/68/60/436356860.db2.gz XXNQFZDBDXNSCD-HNNXBMFYSA-N 1 1 348.451 0.419 50 0 ECAAMO O=C(NCCc1cccnc1)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967817 436357589 /nfs/dbraw/zinc/35/75/89/436357589.db2.gz VJMFWGJRKLZGQF-IAGOWNOFSA-N 1 1 348.447 0.661 50 0 ECAAMO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000048027268 436439471 /nfs/dbraw/zinc/43/94/71/436439471.db2.gz ATANKLLVFDMYDH-CYBMUJFWSA-N 1 1 333.388 0.571 50 0 ECAAMO O=C(CCc1cn[nH]c1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091325465 436448400 /nfs/dbraw/zinc/44/84/00/436448400.db2.gz MFTZPRSQHYTJBE-CVEARBPZSA-N 1 1 336.436 0.132 50 0 ECAAMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325725 436448784 /nfs/dbraw/zinc/44/87/84/436448784.db2.gz GFJSWGGSURVWGZ-JKSUJKDBSA-N 1 1 335.452 0.214 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1O ZINC000091350692 436449158 /nfs/dbraw/zinc/44/91/58/436449158.db2.gz DIUCDGQVEZIKTI-HZPDHXFCSA-N 1 1 334.416 0.713 50 0 ECAAMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000048365070 436451220 /nfs/dbraw/zinc/45/12/20/436451220.db2.gz PJDAISHDPINYAW-GFCCVEGCSA-N 1 1 344.415 0.850 50 0 ECAAMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000048365070 436451222 /nfs/dbraw/zinc/45/12/22/436451222.db2.gz PJDAISHDPINYAW-GFCCVEGCSA-N 1 1 344.415 0.850 50 0 ECAAMO Cc1ccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091575153 436454603 /nfs/dbraw/zinc/45/46/03/436454603.db2.gz GMVHPILVOREKOO-IAGOWNOFSA-N 1 1 348.443 0.773 50 0 ECAAMO CC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)s1 ZINC000091664390 436456341 /nfs/dbraw/zinc/45/63/41/436456341.db2.gz XPWWARUTTLKBAD-CHWSQXEVSA-N 1 1 340.445 0.555 50 0 ECAAMO CN(C)c1nccnc1N1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091644173 436456508 /nfs/dbraw/zinc/45/65/08/436456508.db2.gz HYEXQEYZOXMSPO-HZPDHXFCSA-N 1 1 348.495 0.225 50 0 ECAAMO CN(C)c1nccnc1N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091644173 436456511 /nfs/dbraw/zinc/45/65/11/436456511.db2.gz HYEXQEYZOXMSPO-HZPDHXFCSA-N 1 1 348.495 0.225 50 0 ECAAMO CN(C)c1nccnc1N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091644173 436456513 /nfs/dbraw/zinc/45/65/13/436456513.db2.gz HYEXQEYZOXMSPO-HZPDHXFCSA-N 1 1 348.495 0.225 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(O)c(C)c2)C[C@@H]1CO ZINC000091645022 436456697 /nfs/dbraw/zinc/45/66/97/436456697.db2.gz UICJODYDBSADIJ-HZPDHXFCSA-N 1 1 336.432 0.959 50 0 ECAAMO Cc1ccc(F)cc1CC(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091645263 436457330 /nfs/dbraw/zinc/45/73/30/436457330.db2.gz ABJAITLXKOQGNL-HZPDHXFCSA-N 1 1 338.423 0.668 50 0 ECAAMO O[C@@H]1C[C@H](O)C12CCN(c1nc(N3CCC(O)CC3)cc[nH+]1)CC2 ZINC000091725125 436458149 /nfs/dbraw/zinc/45/81/49/436458149.db2.gz NYNMDIKGTRJIFT-OKILXGFUSA-N 1 1 334.420 0.150 50 0 ECAAMO CSCC(=O)N1C[C@H](CO)C[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091724565 436458375 /nfs/dbraw/zinc/45/83/75/436458375.db2.gz HJQKZEVKNZAWQJ-HUUCEWRRSA-N 1 1 329.510 0.444 50 0 ECAAMO CSCC(=O)N1C[C@H](CO)C[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091724565 436458378 /nfs/dbraw/zinc/45/83/78/436458378.db2.gz HJQKZEVKNZAWQJ-HUUCEWRRSA-N 1 1 329.510 0.444 50 0 ECAAMO CSCC(=O)N1C[C@H](CO)C[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091724565 436458381 /nfs/dbraw/zinc/45/83/81/436458381.db2.gz HJQKZEVKNZAWQJ-HUUCEWRRSA-N 1 1 329.510 0.444 50 0 ECAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000091780021 436460369 /nfs/dbraw/zinc/46/03/69/436460369.db2.gz CZZJAWQYDWPPFM-AWEZNQCLSA-N 1 1 347.419 0.808 50 0 ECAAMO COCCN1C[C@H](c2nc(CN3CC[NH+](C)CC3)no2)CCC1=O ZINC000091808500 436460975 /nfs/dbraw/zinc/46/09/75/436460975.db2.gz CRRKFPVXERUDOL-CYBMUJFWSA-N 1 1 337.424 0.169 50 0 ECAAMO N[C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091951554 436465685 /nfs/dbraw/zinc/46/56/85/436465685.db2.gz SXAUVTZDBYYVOH-INIZCTEOSA-N 1 1 335.452 0.357 50 0 ECAAMO N[C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091951554 436465689 /nfs/dbraw/zinc/46/56/89/436465689.db2.gz SXAUVTZDBYYVOH-INIZCTEOSA-N 1 1 335.452 0.357 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)n1C ZINC000089735917 436415783 /nfs/dbraw/zinc/41/57/83/436415783.db2.gz UOFCPMPHPIMIMV-WBVHZDCISA-N 1 1 342.447 0.856 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)n1C ZINC000089735917 436415787 /nfs/dbraw/zinc/41/57/87/436415787.db2.gz UOFCPMPHPIMIMV-WBVHZDCISA-N 1 1 342.447 0.856 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000089948595 436423994 /nfs/dbraw/zinc/42/39/94/436423994.db2.gz FFJJQNCULMPJJS-GDBMZVCRSA-N 1 1 348.447 0.498 50 0 ECAAMO COc1ccc(CN(C)C(=O)CN2CC[NH+](CCO)CC2)cc1F ZINC000096125824 436515266 /nfs/dbraw/zinc/51/52/66/436515266.db2.gz UQURSBDBLAUODD-UHFFFAOYSA-N 1 1 339.411 0.403 50 0 ECAAMO CN(C)c1nc(N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)c2c([nH+]1)CCCC2 ZINC000096159676 436518143 /nfs/dbraw/zinc/51/81/43/436518143.db2.gz KNMVXLIMHRFPSC-SGTLLEGYSA-N 1 1 345.447 0.874 50 0 ECAAMO CN(C)c1nc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)c2c([nH+]1)CCCC2 ZINC000096159676 436518146 /nfs/dbraw/zinc/51/81/46/436518146.db2.gz KNMVXLIMHRFPSC-SGTLLEGYSA-N 1 1 345.447 0.874 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000051055518 436481913 /nfs/dbraw/zinc/48/19/13/436481913.db2.gz TVASSDOLROEYPO-AVGNSLFASA-N 1 1 326.441 0.847 50 0 ECAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000095371087 436491502 /nfs/dbraw/zinc/49/15/02/436491502.db2.gz LDMUSHUWUABTGV-SFHVURJKSA-N 1 1 349.431 0.857 50 0 ECAAMO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095363105 436492268 /nfs/dbraw/zinc/49/22/68/436492268.db2.gz HHHMVRVOBHMDEQ-DZGCQCFKSA-N 1 1 334.424 0.165 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000095364111 436492304 /nfs/dbraw/zinc/49/23/04/436492304.db2.gz IYCRDRMPVXTMPS-GFCCVEGCSA-N 1 1 345.407 0.670 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000095380931 436492402 /nfs/dbraw/zinc/49/24/02/436492402.db2.gz QUGNOFFGGLCBAR-LBPRGKRZSA-N 1 1 335.339 0.487 50 0 ECAAMO O=C(NCCSc1c[nH]nn1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372672 436492567 /nfs/dbraw/zinc/49/25/67/436492567.db2.gz UPIWGAMOIYAVQL-GFCCVEGCSA-N 1 1 339.465 0.904 50 0 ECAAMO O=C(NCCSc1cn[nH]n1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095372672 436492568 /nfs/dbraw/zinc/49/25/68/436492568.db2.gz UPIWGAMOIYAVQL-GFCCVEGCSA-N 1 1 339.465 0.904 50 0 ECAAMO O=C(NCCSc1cn[nH]n1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372672 436492570 /nfs/dbraw/zinc/49/25/70/436492570.db2.gz UPIWGAMOIYAVQL-GFCCVEGCSA-N 1 1 339.465 0.904 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 ZINC000095383017 436495010 /nfs/dbraw/zinc/49/50/10/436495010.db2.gz NGGYWSXXCQDAQN-UKRRQHHQSA-N 1 1 343.449 0.510 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 ZINC000095383017 436495012 /nfs/dbraw/zinc/49/50/12/436495012.db2.gz NGGYWSXXCQDAQN-UKRRQHHQSA-N 1 1 343.449 0.510 50 0 ECAAMO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(c2ncccc2C(N)=O)C1 ZINC000095511312 436497315 /nfs/dbraw/zinc/49/73/15/436497315.db2.gz NXJNBVDDQOKRDN-NSHDSACASA-N 1 1 328.376 0.246 50 0 ECAAMO CN(C)c1cncc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)n1 ZINC000095508812 436497916 /nfs/dbraw/zinc/49/79/16/436497916.db2.gz JWKXFIXTBYBJQW-LBPRGKRZSA-N 1 1 329.408 0.608 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000095950861 436502077 /nfs/dbraw/zinc/50/20/77/436502077.db2.gz ZHFKYVCLKONXGD-JKSUJKDBSA-N 1 1 337.464 0.883 50 0 ECAAMO COC(=O)N1CC[NH+](CCCc2nnnn2-c2ccccc2)CC1 ZINC000052279215 436506859 /nfs/dbraw/zinc/50/68/59/436506859.db2.gz LSGFWQJLQFCTCW-UHFFFAOYSA-N 1 1 330.392 0.979 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1 ZINC000096101483 436512048 /nfs/dbraw/zinc/51/20/48/436512048.db2.gz GBOPRJSTVOPNEJ-CQSZACIVSA-N 1 1 333.436 0.981 50 0 ECAAMO CCn1cnnc1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420795 436531722 /nfs/dbraw/zinc/53/17/22/436531722.db2.gz WJFCTDHBTCAYKJ-MRXNPFEDSA-N 1 1 343.431 0.858 50 0 ECAAMO CCn1cnnc1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420795 436531725 /nfs/dbraw/zinc/53/17/25/436531725.db2.gz WJFCTDHBTCAYKJ-MRXNPFEDSA-N 1 1 343.431 0.858 50 0 ECAAMO CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000097002157 436536376 /nfs/dbraw/zinc/53/63/76/436536376.db2.gz OQNLCHPTPWWJAG-LOUJCGABSA-N 1 1 326.437 0.878 50 0 ECAAMO CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000097002157 436536379 /nfs/dbraw/zinc/53/63/79/436536379.db2.gz OQNLCHPTPWWJAG-LOUJCGABSA-N 1 1 326.437 0.878 50 0 ECAAMO Cn1nc(C(F)(F)F)cc1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097813618 436543286 /nfs/dbraw/zinc/54/32/86/436543286.db2.gz JJUQNKOVJKOJTQ-VIFPVBQESA-N 1 1 347.341 0.366 50 0 ECAAMO Cc1cc(C)n(CCC(=O)NCC[N@H+]2CCCC[C@H]2CO)c(=O)n1 ZINC000055227127 436570677 /nfs/dbraw/zinc/57/06/77/436570677.db2.gz UZAVLMZGDIUZSO-HNNXBMFYSA-N 1 1 336.436 0.213 50 0 ECAAMO COC(=O)c1ccc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000110585295 436628678 /nfs/dbraw/zinc/62/86/78/436628678.db2.gz XFCDUKMOGWHZNC-INIZCTEOSA-N 1 1 348.447 0.561 50 0 ECAAMO O=c1[nH]c2ccccc2c(=O)n1C[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000058405293 436625609 /nfs/dbraw/zinc/62/56/09/436625609.db2.gz BCZGKGRTPCXKJO-BBRMVZONSA-N 1 1 345.399 0.427 50 0 ECAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000110700004 436627889 /nfs/dbraw/zinc/62/78/89/436627889.db2.gz MHJMWNLSQXPSQE-ZDUSSCGKSA-N 1 1 333.427 0.215 50 0 ECAAMO NC(=O)CN1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057153072 436604933 /nfs/dbraw/zinc/60/49/33/436604933.db2.gz DASQSIBMFQJDNS-KRWDZBQOSA-N 1 1 344.459 0.717 50 0 ECAAMO CCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC000107354930 436611923 /nfs/dbraw/zinc/61/19/23/436611923.db2.gz MWWMQKXJNCQHFF-OIISXLGYSA-N 1 1 327.469 0.258 50 0 ECAAMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCO2 ZINC000058158882 436620679 /nfs/dbraw/zinc/62/06/79/436620679.db2.gz DBWGHKJBAFXLNT-ZIAGYGMSSA-N 1 1 338.429 0.763 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000058140559 436620924 /nfs/dbraw/zinc/62/09/24/436620924.db2.gz AVRRZUFOFGEXDN-SNVBAGLBSA-N 1 1 338.433 0.786 50 0 ECAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000221284856 436701085 /nfs/dbraw/zinc/70/10/85/436701085.db2.gz NSIMFHILYUSTPN-MRXNPFEDSA-N 1 1 331.416 0.059 50 0 ECAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000221284856 436701087 /nfs/dbraw/zinc/70/10/87/436701087.db2.gz NSIMFHILYUSTPN-MRXNPFEDSA-N 1 1 331.416 0.059 50 0 ECAAMO CN(CC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1)Cc1ccncc1 ZINC000223697473 436707758 /nfs/dbraw/zinc/70/77/58/436707758.db2.gz MCQJTUIWMPIPAG-SFHVURJKSA-N 1 1 346.475 0.819 50 0 ECAAMO CCn1ncc(S(=O)(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c1C ZINC000223935050 436708422 /nfs/dbraw/zinc/70/84/22/436708422.db2.gz CDUWYTIZEVUBOJ-YXCITZCRSA-N 1 1 328.438 0.207 50 0 ECAAMO O[C@H](COCc1cccs1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554868 436715226 /nfs/dbraw/zinc/71/52/26/436715226.db2.gz JTLSVVKRFUAXNB-UONOGXRCSA-N 1 1 338.433 0.618 50 0 ECAAMO O[C@H](COCc1cccs1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554868 436715229 /nfs/dbraw/zinc/71/52/29/436715229.db2.gz JTLSVVKRFUAXNB-UONOGXRCSA-N 1 1 338.433 0.618 50 0 ECAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000067629815 436719201 /nfs/dbraw/zinc/71/92/01/436719201.db2.gz BXGXDIHBEJINBN-LBPRGKRZSA-N 1 1 343.424 0.754 50 0 ECAAMO CCN1CCN(Cc2cc(C(=O)NC[C@@]3(C)CC[N@@H+](C)C3)no2)CC1 ZINC000067817253 436724787 /nfs/dbraw/zinc/72/47/87/436724787.db2.gz ALDVPPIVXTUELX-GOSISDBHSA-N 1 1 349.479 0.884 50 0 ECAAMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000067881499 436726820 /nfs/dbraw/zinc/72/68/20/436726820.db2.gz YADQCEDZGIHTRO-JTQLQIEISA-N 1 1 341.314 0.432 50 0 ECAAMO CN1CCC2(CC1)CN(C(=O)Cc1nnc(N)s1)CCC[N@H+]2C ZINC000067908253 436729353 /nfs/dbraw/zinc/72/93/53/436729353.db2.gz BJGWUNHUPILBGV-UHFFFAOYSA-N 1 1 338.481 0.291 50 0 ECAAMO CN1CCCN(C(=O)Cc2nnc(N)s2)CC12CC[NH+](C)CC2 ZINC000067908253 436729358 /nfs/dbraw/zinc/72/93/58/436729358.db2.gz BJGWUNHUPILBGV-UHFFFAOYSA-N 1 1 338.481 0.291 50 0 ECAAMO O=C(Cn1cnnn1)NCC[C@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000067983154 436731017 /nfs/dbraw/zinc/73/10/17/436731017.db2.gz ZYMKDSGAWBBWMR-HNNXBMFYSA-N 1 1 336.440 0.603 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000239761385 436757648 /nfs/dbraw/zinc/75/76/48/436757648.db2.gz CJTRHQJUECXBLV-UKRRQHHQSA-N 1 1 348.378 0.537 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000239761385 436757652 /nfs/dbraw/zinc/75/76/52/436757652.db2.gz CJTRHQJUECXBLV-UKRRQHHQSA-N 1 1 348.378 0.537 50 0 ECAAMO CC(=O)N1CC[NH+]([C@H]2CN(CC(=O)Nc3cc(C)on3)C[C@@H]2C)CC1 ZINC000229828746 436716540 /nfs/dbraw/zinc/71/65/40/436716540.db2.gz VIWWIEDNTZKQNT-WFASDCNBSA-N 1 1 349.435 0.406 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cnn(C)c2)n1 ZINC000069455866 436773768 /nfs/dbraw/zinc/77/37/68/436773768.db2.gz XMJDSDFBRINKCO-MRXNPFEDSA-N 1 1 345.451 0.751 50 0 ECAAMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(C)C ZINC000069531325 436778975 /nfs/dbraw/zinc/77/89/75/436778975.db2.gz QTTKMJYTOVQHRP-CYBMUJFWSA-N 1 1 334.486 0.137 50 0 ECAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(C)C ZINC000069531325 436778976 /nfs/dbraw/zinc/77/89/76/436778976.db2.gz QTTKMJYTOVQHRP-CYBMUJFWSA-N 1 1 334.486 0.137 50 0 ECAAMO O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000247793177 436796899 /nfs/dbraw/zinc/79/68/99/436796899.db2.gz POGVOALKNLKDEB-KBPBESRZSA-N 1 1 346.387 0.911 50 0 ECAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000253599880 436847382 /nfs/dbraw/zinc/84/73/82/436847382.db2.gz ZQLRFWBHQKQAAZ-HOTGVXAUSA-N 1 1 347.463 0.831 50 0 ECAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)c1 ZINC000253599880 436847385 /nfs/dbraw/zinc/84/73/85/436847385.db2.gz ZQLRFWBHQKQAAZ-HOTGVXAUSA-N 1 1 347.463 0.831 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000252477157 436831345 /nfs/dbraw/zinc/83/13/45/436831345.db2.gz JFLQFUZRBMWQDW-KLHDSHLOSA-N 1 1 347.525 0.986 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000252477157 436831347 /nfs/dbraw/zinc/83/13/47/436831347.db2.gz JFLQFUZRBMWQDW-KLHDSHLOSA-N 1 1 347.525 0.986 50 0 ECAAMO CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000299754165 437110046 /nfs/dbraw/zinc/11/00/46/437110046.db2.gz JGVIHXYRPDACOE-BZUAXINKSA-N 1 1 326.437 0.751 50 0 ECAAMO N[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178761518 437228776 /nfs/dbraw/zinc/22/87/76/437228776.db2.gz ISDISQNMYGTRTJ-QGZVFWFLSA-N 1 1 330.432 0.453 50 0 ECAAMO Cc1ccc(NCCCNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)nc1 ZINC000426386892 438056649 /nfs/dbraw/zinc/05/66/49/438056649.db2.gz LYOOMDISUJKZTK-CYBMUJFWSA-N 1 1 328.420 0.854 50 0 ECAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccc(-n3cncn3)cc2)C1 ZINC000426527030 438066078 /nfs/dbraw/zinc/06/60/78/438066078.db2.gz SOSPDCLNQKSYGZ-QGZVFWFLSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000426527030 438066088 /nfs/dbraw/zinc/06/60/88/438066088.db2.gz SOSPDCLNQKSYGZ-QGZVFWFLSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000426527030 438066092 /nfs/dbraw/zinc/06/60/92/438066092.db2.gz SOSPDCLNQKSYGZ-QGZVFWFLSA-N 1 1 342.447 0.910 50 0 ECAAMO C[C@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1cnn(C)c1 ZINC000426690746 438071100 /nfs/dbraw/zinc/07/11/00/438071100.db2.gz UPXMUQQDFCRRTI-ZDUSSCGKSA-N 1 1 348.451 0.477 50 0 ECAAMO Cc1nc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cs1 ZINC000426726678 438072774 /nfs/dbraw/zinc/07/27/74/438072774.db2.gz AYYMDKUNEJXADB-NSHDSACASA-N 1 1 347.444 1.538 50 0 ECAAMO Cc1cn2nc(N[C@@H]3CC[N@H+](C[C@@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522859 438582192 /nfs/dbraw/zinc/58/21/92/438582192.db2.gz DIVHRDHIMDZBME-GHMZBOCLSA-N 1 1 329.326 1.447 50 0 ECAAMO Cc1cn2nc(N[C@@H]3CC[N@@H+](C[C@@H](O)C(F)(F)F)C3)ccc2n1 ZINC000408522859 438582194 /nfs/dbraw/zinc/58/21/94/438582194.db2.gz DIVHRDHIMDZBME-GHMZBOCLSA-N 1 1 329.326 1.447 50 0 ECAAMO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000585120674 439631907 /nfs/dbraw/zinc/63/19/07/439631907.db2.gz AMYNWPOVYOUKCC-OAGGEKHMSA-N 1 1 335.448 0.614 50 0 ECAAMO COCC[N@H+]1CCC[C@H](C(=O)N2CCN(CCSC)CC2)C1 ZINC000584895663 439626866 /nfs/dbraw/zinc/62/68/66/439626866.db2.gz NZWISVJBKOIFCO-HNNXBMFYSA-N 1 1 329.510 0.852 50 0 ECAAMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N(C)C(C)=O)cc2)C1 ZINC000244707776 536394588 /nfs/dbraw/zinc/39/45/88/536394588.db2.gz KHJHEAADGYJWQE-ZDUSSCGKSA-N 1 1 332.404 0.676 50 0 ECAAMO C[NH+]1CCN(C(=O)Cn2cc(COc3ccccc3F)nn2)CC1 ZINC000227162850 536404570 /nfs/dbraw/zinc/40/45/70/536404570.db2.gz ISJDMEAPYSBXGH-UHFFFAOYSA-N 1 1 333.367 0.770 50 0 ECAAMO Cc1nc(N2CCN(C(=O)C(C)C)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793770 545657415 /nfs/dbraw/zinc/65/74/15/545657415.db2.gz VVTODFGTJUXLRZ-UHFFFAOYSA-N 1 1 333.436 0.926 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000083881868 545707490 /nfs/dbraw/zinc/70/74/90/545707490.db2.gz MHHMVWONEZCHMM-UHFFFAOYSA-N 1 1 338.433 0.742 50 0 ECAAMO COc1cccc(F)c1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091737244 545724036 /nfs/dbraw/zinc/72/40/36/545724036.db2.gz CREYDVDFDVVOMS-CHWSQXEVSA-N 1 1 340.395 0.439 50 0 ECAAMO CCC(=O)N1CC[N@@H+](Cc2cccc(N3CCOCC3)c2)C[C@@H](O)C1 ZINC000097529049 545733108 /nfs/dbraw/zinc/73/31/08/545733108.db2.gz CPOQKJAXWLPFES-GOSISDBHSA-N 1 1 347.459 0.938 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2onc3c2CCCC3)C1 ZINC000667939210 547572225 /nfs/dbraw/zinc/57/22/25/547572225.db2.gz BHJFCFFLNRXBLV-LBPRGKRZSA-N 1 1 334.420 0.871 50 0 ECAAMO O=C(CCCN1CCCCC1=O)NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000670466678 548016617 /nfs/dbraw/zinc/01/66/17/548016617.db2.gz VODYSOVNKUVIGX-HNNXBMFYSA-N 1 1 325.453 0.742 50 0 ECAAMO COc1ccc(/C=C\C(=O)NCC(F)(F)C[NH3+])cc1S(N)(=O)=O ZINC000888096666 586349437 /nfs/dbraw/zinc/34/94/37/586349437.db2.gz GZZAWHGRQXLYKM-HYXAFXHYSA-N 1 1 349.359 0.066 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000178151729 608949569 /nfs/dbraw/zinc/94/95/69/608949569.db2.gz VLPBOBJUCXANDD-QGZVFWFLSA-N 1 1 345.443 0.968 50 0 ECAAMO O=S1(=O)C[C@H](O)[C@H](N2CC[NH+](C[C@@H]3CCC=CCCC3)CC2)C1 ZINC000952992839 612140571 /nfs/dbraw/zinc/14/05/71/612140571.db2.gz SEGPOBYWWCEITN-ZACQAIPSSA-N 1 1 342.505 0.898 50 0 ECAAMO COc1ccc2oc(=O)c(C(=O)N3CC[NH+](CCO)CC3)cc2c1 ZINC000019883406 202025869 /nfs/dbraw/zinc/02/58/69/202025869.db2.gz IXVAVFQAFPSCKL-UHFFFAOYSA-N 1 1 332.356 0.552 50 0 ECAAMO Cc1nn(C)c(C(=O)NCCC[NH+]2CCOCC2)c1Br ZINC000022248243 202082551 /nfs/dbraw/zinc/08/25/51/202082551.db2.gz HFCLLEPWMOVUGN-UHFFFAOYSA-N 1 1 345.241 0.943 50 0 ECAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000038718707 202146251 /nfs/dbraw/zinc/14/62/51/202146251.db2.gz JJWIANQFSGMVDX-UHFFFAOYSA-N 1 1 330.344 0.718 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000031811123 202209387 /nfs/dbraw/zinc/20/93/87/202209387.db2.gz LQPPHDQCVXZMKB-UHFFFAOYSA-N 1 1 343.431 0.860 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000075131940 202374756 /nfs/dbraw/zinc/37/47/56/202374756.db2.gz YTXCAZSOJPXGHT-GOEBONIOSA-N 1 1 348.451 0.212 50 0 ECAAMO CN(C)c1ccccc1C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000078047035 202394799 /nfs/dbraw/zinc/39/47/99/202394799.db2.gz QYXNVLSZOJJRQL-UHFFFAOYSA-N 1 1 346.475 0.729 50 0 ECAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](OCC(N)=O)C1 ZINC000229412556 201042011 /nfs/dbraw/zinc/04/20/11/201042011.db2.gz ZQBIYPJZOUVKNF-WCQYABFASA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](OCC(N)=O)C1 ZINC000229412556 201042015 /nfs/dbraw/zinc/04/20/15/201042015.db2.gz ZQBIYPJZOUVKNF-WCQYABFASA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@H](C)O1 ZINC000097200405 201382553 /nfs/dbraw/zinc/38/25/53/201382553.db2.gz NSACEAVOLYUGBM-QLFBSQMISA-N 1 1 349.479 0.371 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@H](C)O1 ZINC000097200405 201382555 /nfs/dbraw/zinc/38/25/55/201382555.db2.gz NSACEAVOLYUGBM-QLFBSQMISA-N 1 1 349.479 0.371 50 0 ECAAMO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)nc1 ZINC000097200791 201383366 /nfs/dbraw/zinc/38/33/66/201383366.db2.gz VAVFDHIEQRGHKU-AWEZNQCLSA-N 1 1 343.431 0.721 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000044911442 202533936 /nfs/dbraw/zinc/53/39/36/202533936.db2.gz KJWUIFACXXMIOV-HUUCEWRRSA-N 1 1 348.399 0.882 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000216224971 241174885 /nfs/dbraw/zinc/17/48/85/241174885.db2.gz FSWDNEAHWHLPLP-ZDUSSCGKSA-N 1 1 327.344 0.395 50 0 ECAAMO COCCn1c(N)c(C(=O)C[N@@H+](C)C2CCCCC2)c(=O)[nH]c1=O ZINC000022057147 212273947 /nfs/dbraw/zinc/27/39/47/212273947.db2.gz MGPJPOAQLGVECL-UHFFFAOYSA-N 1 1 338.408 0.212 50 0 ECAAMO NC(=O)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)cc1 ZINC000217069520 241236983 /nfs/dbraw/zinc/23/69/83/241236983.db2.gz GWWOQTCQCVAQNW-KRWDZBQOSA-N 1 1 333.432 0.443 50 0 ECAAMO CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)nn1 ZINC000230163537 242241182 /nfs/dbraw/zinc/24/11/82/242241182.db2.gz MLGJBMJMLQWTNP-UONOGXRCSA-N 1 1 333.436 0.864 50 0 ECAAMO CC[N@@H+](C)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)C1 ZINC000230286599 242259100 /nfs/dbraw/zinc/25/91/00/242259100.db2.gz GVBASVJMXMBQOH-UKRRQHHQSA-N 1 1 343.431 0.877 50 0 ECAAMO O=S(=O)(N1CCCC1)N1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000244652075 243051718 /nfs/dbraw/zinc/05/17/18/243051718.db2.gz GZJODGRKJMGJIG-UHFFFAOYSA-N 1 1 338.477 0.972 50 0 ECAAMO CCN(Cc1ccncc1)C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000244787619 243079092 /nfs/dbraw/zinc/07/90/92/243079092.db2.gz QAKBFEZSMDNAGQ-OAHLLOKOSA-N 1 1 339.461 0.939 50 0 ECAAMO CCN(Cc1ccncc1)C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000244787619 243079100 /nfs/dbraw/zinc/07/91/00/243079100.db2.gz QAKBFEZSMDNAGQ-OAHLLOKOSA-N 1 1 339.461 0.939 50 0 ECAAMO C[C@H]([NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1F ZINC000069568526 203021476 /nfs/dbraw/zinc/02/14/76/203021476.db2.gz YRENMGGSWIZCOR-LBPRGKRZSA-N 1 1 343.424 0.580 50 0 ECAAMO CC(=O)NCc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000069626913 203029060 /nfs/dbraw/zinc/02/90/60/203029060.db2.gz YBESWHLMBMCXCH-UHFFFAOYSA-N 1 1 339.461 0.913 50 0 ECAAMO CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC000069534965 203016236 /nfs/dbraw/zinc/01/62/36/203016236.db2.gz DEIFZWONDXLIRP-AWEZNQCLSA-N 1 1 336.436 0.509 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000069813185 203053062 /nfs/dbraw/zinc/05/30/62/203053062.db2.gz BXIUKGQJPDTNEK-UHFFFAOYSA-N 1 1 346.475 0.599 50 0 ECAAMO CCOCC[N@H+]1CCN(CC(=O)NC2CCOCC2)C[C@H]1CC ZINC000069817531 203053547 /nfs/dbraw/zinc/05/35/47/203053547.db2.gz GXIVVRPHGHVCNT-MRXNPFEDSA-N 1 1 327.469 0.714 50 0 ECAAMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069770513 203045545 /nfs/dbraw/zinc/04/55/45/203045545.db2.gz LVPUZCGTZYXKSG-OAHLLOKOSA-N 1 1 345.399 0.013 50 0 ECAAMO C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)CN1CC[NH+](C)CC1 ZINC000071853880 203129073 /nfs/dbraw/zinc/12/90/73/203129073.db2.gz SIGGFMHIBPWUMA-AWEZNQCLSA-N 1 1 343.435 0.276 50 0 ECAAMO O=C(CCOc1ccccc1)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072162184 203177897 /nfs/dbraw/zinc/17/78/97/203177897.db2.gz BLJPROHMCLPTEP-MRXNPFEDSA-N 1 1 331.416 0.878 50 0 ECAAMO CCc1cc(N2CC[NH2+]C[C@H](CC(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000072167720 203180179 /nfs/dbraw/zinc/18/01/79/203180179.db2.gz VYLVRSLDAPQXRK-ZDUSSCGKSA-N 1 1 349.435 0.376 50 0 ECAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C(N)=O)C2)CC1 ZINC000072169603 203181102 /nfs/dbraw/zinc/18/11/02/203181102.db2.gz WKQDBSHVTKDXQY-AWEZNQCLSA-N 1 1 346.431 0.294 50 0 ECAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CC[C@H]21 ZINC000072463336 203229697 /nfs/dbraw/zinc/22/96/97/203229697.db2.gz OQCHSNNKUWRJHN-XJKSGUPXSA-N 1 1 345.447 0.960 50 0 ECAAMO COCCNc1nc2c(c(N(C)Cc3cc(C)[nH]n3)n1)CC[NH2+]CC2 ZINC000072474733 203231174 /nfs/dbraw/zinc/23/11/74/203231174.db2.gz JTEQSKBBHNFVMQ-UHFFFAOYSA-N 1 1 345.451 0.891 50 0 ECAAMO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000077323052 203380105 /nfs/dbraw/zinc/38/01/05/203380105.db2.gz JLWLCQWCHFVLJO-LBPRGKRZSA-N 1 1 331.376 0.547 50 0 ECAAMO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000077323052 203380110 /nfs/dbraw/zinc/38/01/10/203380110.db2.gz JLWLCQWCHFVLJO-LBPRGKRZSA-N 1 1 331.376 0.547 50 0 ECAAMO CCOCCn1c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[nH]c1=O ZINC000077355558 203382256 /nfs/dbraw/zinc/38/22/56/203382256.db2.gz QKTJBFKXWXIPCB-UHFFFAOYSA-N 1 1 332.404 0.754 50 0 ECAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N2CCC3(CN(C)C(=O)O3)CC2)C1 ZINC000077453491 203389811 /nfs/dbraw/zinc/38/98/11/203389811.db2.gz BYIVLYLERHVSRC-AWEZNQCLSA-N 1 1 338.452 0.456 50 0 ECAAMO CN(CCC(=O)N1CCC2(CN(C)C(=O)O2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000077453491 203389813 /nfs/dbraw/zinc/38/98/13/203389813.db2.gz BYIVLYLERHVSRC-AWEZNQCLSA-N 1 1 338.452 0.456 50 0 ECAAMO CN(CCC(=O)N1CCC2(CN(C)C(=O)O2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000077453491 203389815 /nfs/dbraw/zinc/38/98/15/203389815.db2.gz BYIVLYLERHVSRC-AWEZNQCLSA-N 1 1 338.452 0.456 50 0 ECAAMO O[C@]1(CN2CCC(c3nnc4ccccn43)CC2)C[NH2+]CCOC1 ZINC000077471658 203389991 /nfs/dbraw/zinc/38/99/91/203389991.db2.gz UYDRARDEXGSYJV-KRWDZBQOSA-N 1 1 331.420 0.260 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1C1CCN(C2CC[NH2+]CC2)CC1 ZINC000077524707 203394095 /nfs/dbraw/zinc/39/40/95/203394095.db2.gz INRCINNCECSVHL-UHFFFAOYSA-N 1 1 348.495 0.579 50 0 ECAAMO O=C(c1cnn2c1CCCC2)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091768838 203650532 /nfs/dbraw/zinc/65/05/32/203650532.db2.gz AVGHXSXLISMFGB-HUUCEWRRSA-N 1 1 348.447 0.232 50 0 ECAAMO Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1CN1CCOCC1 ZINC000095477412 203748901 /nfs/dbraw/zinc/74/89/01/203748901.db2.gz QWPZYXMMIBODQP-UHFFFAOYSA-N 1 1 339.461 0.472 50 0 ECAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1=O ZINC000426615388 254788767 /nfs/dbraw/zinc/78/87/67/254788767.db2.gz GUEUXDJMGFKKNG-CQSZACIVSA-N 1 1 347.415 0.327 50 0 ECAAMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1=O ZINC000426615388 254788769 /nfs/dbraw/zinc/78/87/69/254788769.db2.gz GUEUXDJMGFKKNG-CQSZACIVSA-N 1 1 347.415 0.327 50 0 ECAAMO Cc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426618373 254789012 /nfs/dbraw/zinc/78/90/12/254789012.db2.gz PYRXQZYFFRCTBO-GFCCVEGCSA-N 1 1 332.408 0.181 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-n2nnnc2C)c1 ZINC000299788289 258095132 /nfs/dbraw/zinc/09/51/32/258095132.db2.gz QFMCXOTWBCSMRL-GJZGRUSLSA-N 1 1 330.392 0.420 50 0 ECAAMO Cc1nn(C(C)C)c(C)c1C(=O)N1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000299799773 258103081 /nfs/dbraw/zinc/10/30/81/258103081.db2.gz ZYSAEFNKZAUAKI-HOTGVXAUSA-N 1 1 349.479 0.514 50 0 ECAAMO COc1cc(OC)cc(C(=O)N2CCOC[C@H]2C[N@@H+](C)CCO)c1 ZINC000085469850 286240956 /nfs/dbraw/zinc/24/09/56/286240956.db2.gz TUYPWIZYUDNTAU-CQSZACIVSA-N 1 1 338.404 0.469 50 0 ECAAMO Cc1n[nH]cc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000195457799 165082123 /nfs/dbraw/zinc/08/21/23/165082123.db2.gz VADYITWOANLHJG-UHFFFAOYSA-N 1 1 341.415 0.792 50 0 ECAAMO CS(=O)(=O)NCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000285553769 264322506 /nfs/dbraw/zinc/32/25/06/264322506.db2.gz UVHBZPPQXSSXQS-AWEZNQCLSA-N 1 1 325.434 0.474 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@@H]2C1 ZINC000285727785 264336206 /nfs/dbraw/zinc/33/62/06/264336206.db2.gz KDOJLOSAWNVXCG-HZPDHXFCSA-N 1 1 327.388 0.812 50 0 ECAAMO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1cccc(O)c1 ZINC000101265422 274674858 /nfs/dbraw/zinc/67/48/58/274674858.db2.gz BVTQDWVXVBOPAS-OAHLLOKOSA-N 1 1 341.371 0.918 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCCNC3=O)C2=O)cc1 ZINC000100619728 277417338 /nfs/dbraw/zinc/41/73/38/277417338.db2.gz UOWZAKXMDIPAKU-KGLIPLIRSA-N 1 1 331.372 0.585 50 0 ECAAMO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CCS(C)(=O)=O ZINC000058434388 278092038 /nfs/dbraw/zinc/09/20/38/278092038.db2.gz ARGIXPRANNJCAQ-UHFFFAOYSA-N 1 1 344.481 0.514 50 0 ECAAMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000223558998 279751114 /nfs/dbraw/zinc/75/11/14/279751114.db2.gz FCTISVLPBQKVCB-HUUCEWRRSA-N 1 1 335.404 0.456 50 0 ECAAMO C[NH+](C)CCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000004742698 435979873 /nfs/dbraw/zinc/97/98/73/435979873.db2.gz KKZJZHOGJAOZCP-UHFFFAOYSA-N 1 1 338.389 0.335 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000071821603 436012904 /nfs/dbraw/zinc/01/29/04/436012904.db2.gz RDIMKTPVGMAIII-UHFFFAOYSA-N 1 1 348.447 0.651 50 0 ECAAMO C[NH+](C)CCCNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060373 436034281 /nfs/dbraw/zinc/03/42/81/436034281.db2.gz UWKZTWUMBGUGFF-UHFFFAOYSA-N 1 1 331.424 0.637 50 0 ECAAMO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059571 436035759 /nfs/dbraw/zinc/03/57/59/436035759.db2.gz XLWLFSSYHFRZCH-GFCCVEGCSA-N 1 1 331.424 0.637 50 0 ECAAMO C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cn[nH]n2)C[C@H]1CO ZINC000072174522 436036110 /nfs/dbraw/zinc/03/61/10/436036110.db2.gz YHCCEOVKCUYMQM-JRPNMDOOSA-N 1 1 333.367 0.728 50 0 ECAAMO C[N@H+]1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cnn[nH]2)C[C@H]1CO ZINC000072174522 436036113 /nfs/dbraw/zinc/03/61/13/436036113.db2.gz YHCCEOVKCUYMQM-JRPNMDOOSA-N 1 1 333.367 0.728 50 0 ECAAMO C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cnn[nH]2)C[C@H]1CO ZINC000072174522 436036116 /nfs/dbraw/zinc/03/61/16/436036116.db2.gz YHCCEOVKCUYMQM-JRPNMDOOSA-N 1 1 333.367 0.728 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1nnc(C2CC2)s1 ZINC000072271485 436039013 /nfs/dbraw/zinc/03/90/13/436039013.db2.gz LVJJTBPCVIMTIO-SNVBAGLBSA-N 1 1 338.437 0.877 50 0 ECAAMO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072269912 436039880 /nfs/dbraw/zinc/03/98/80/436039880.db2.gz PQNFLVUTJKAWKY-JKSUJKDBSA-N 1 1 345.447 0.748 50 0 ECAAMO COCCCS(=O)(=O)NCC[N@@H+](CCC(=O)OC)CC(C)C ZINC000072310605 436042394 /nfs/dbraw/zinc/04/23/94/436042394.db2.gz XCDWOXGLHODXLM-UHFFFAOYSA-N 1 1 338.470 0.463 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000072300758 436043509 /nfs/dbraw/zinc/04/35/09/436043509.db2.gz ATFXHVDDRKJJNX-PXAZEXFGSA-N 1 1 348.403 0.548 50 0 ECAAMO Cn1ccnc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072476955 436046371 /nfs/dbraw/zinc/04/63/71/436046371.db2.gz FVNLVAWHHQBRMO-SFHVURJKSA-N 1 1 339.399 0.396 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccc(F)c1 ZINC000016585313 436096133 /nfs/dbraw/zinc/09/61/33/436096133.db2.gz CHFQXBCDJBNSIW-SNVBAGLBSA-N 1 1 348.378 0.509 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccc(F)c1 ZINC000016585313 436096136 /nfs/dbraw/zinc/09/61/36/436096136.db2.gz CHFQXBCDJBNSIW-SNVBAGLBSA-N 1 1 348.378 0.509 50 0 ECAAMO Cc1n[nH]c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1Br ZINC000075602948 436166357 /nfs/dbraw/zinc/16/63/57/436166357.db2.gz FKXZGBQAEZQWHO-QMMMGPOBSA-N 1 1 331.214 0.619 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000076058439 436189254 /nfs/dbraw/zinc/18/92/54/436189254.db2.gz OIVOYXZYWFWPRL-ZYHUDNBSSA-N 1 1 339.417 0.750 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CCCNS(C)(=O)=O)C2)o1 ZINC000078891876 436282535 /nfs/dbraw/zinc/28/25/35/436282535.db2.gz XQJFAOWHZPROOY-ZDUSSCGKSA-N 1 1 344.481 0.682 50 0 ECAAMO CC[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1COc2ccccc2O1 ZINC000044890605 436350826 /nfs/dbraw/zinc/35/08/26/436350826.db2.gz RNCPQHPHFLGVAP-JKSUJKDBSA-N 1 1 336.432 0.841 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2ccccc2=O)o1 ZINC000044896610 436352025 /nfs/dbraw/zinc/35/20/25/436352025.db2.gz MGVPECGGVHFVDH-UHFFFAOYSA-N 1 1 345.399 0.942 50 0 ECAAMO COc1ccc([C@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000044896142 436352312 /nfs/dbraw/zinc/35/23/12/436352312.db2.gz BKQLJFHEXQUTMP-HNNXBMFYSA-N 1 1 343.449 0.465 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502382 436304152 /nfs/dbraw/zinc/30/41/52/436304152.db2.gz XYRDYQUAEDDOPA-GXTWGEPZSA-N 1 1 347.415 0.960 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000042502382 436304156 /nfs/dbraw/zinc/30/41/56/436304156.db2.gz XYRDYQUAEDDOPA-GXTWGEPZSA-N 1 1 347.415 0.960 50 0 ECAAMO COc1cccc([C@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)c1 ZINC000044896184 436353003 /nfs/dbraw/zinc/35/30/03/436353003.db2.gz GBPDVSMGDBZEDM-HNNXBMFYSA-N 1 1 343.449 0.465 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736074 436383345 /nfs/dbraw/zinc/38/33/45/436383345.db2.gz HSQDFVZUPNEMPE-HIFRSBDPSA-N 1 1 334.420 0.446 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736106 436384124 /nfs/dbraw/zinc/38/41/24/436384124.db2.gz CSJUPUURJOBMOY-HIFRSBDPSA-N 1 1 329.404 0.912 50 0 ECAAMO c1nnc2ccc(NCCC[NH+]3CCN(c4ncccn4)CC3)nn12 ZINC000044978637 436358033 /nfs/dbraw/zinc/35/80/33/436358033.db2.gz LUUMFNLLBXVEDW-UHFFFAOYSA-N 1 1 339.407 0.539 50 0 ECAAMO COCC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000048251624 436445960 /nfs/dbraw/zinc/44/59/60/436445960.db2.gz YJIYIUUHXRTEDE-HNNXBMFYSA-N 1 1 349.431 0.809 50 0 ECAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCSCC1 ZINC000048275490 436446218 /nfs/dbraw/zinc/44/62/18/436446218.db2.gz AYPCVPGMZYRBPI-KBPBESRZSA-N 1 1 329.466 0.482 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2)C[C@@H]1CO ZINC000091391004 436449885 /nfs/dbraw/zinc/44/98/85/436449885.db2.gz MTCVTPJOYHMHDP-HZPDHXFCSA-N 1 1 335.448 0.566 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc(O)c2)C[C@@H]1CO ZINC000091391004 436449889 /nfs/dbraw/zinc/44/98/89/436449889.db2.gz MTCVTPJOYHMHDP-HZPDHXFCSA-N 1 1 335.448 0.566 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)nc(N2CCCCC2)n1 ZINC000091518748 436452088 /nfs/dbraw/zinc/45/20/88/436452088.db2.gz HOEVHHAKSNXFRK-KGLIPLIRSA-N 1 1 332.452 0.817 50 0 ECAAMO O=C(C[N@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O)N1CCOCC1 ZINC000091624705 436453753 /nfs/dbraw/zinc/45/37/53/436453753.db2.gz ULCPTEIWAZMTNF-IBGZPJMESA-N 1 1 349.475 0.960 50 0 ECAAMO Cc1ccc(N2CC[C@]3(O)CC[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)nn1 ZINC000091644343 436456527 /nfs/dbraw/zinc/45/65/27/436456527.db2.gz KOHJOUGWXVDZPK-RDTXWAMCSA-N 1 1 345.447 0.327 50 0 ECAAMO Cc1ccc(N2CC[C@]3(O)CC[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)nn1 ZINC000091644343 436456529 /nfs/dbraw/zinc/45/65/29/436456529.db2.gz KOHJOUGWXVDZPK-RDTXWAMCSA-N 1 1 345.447 0.327 50 0 ECAAMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)cn1 ZINC000091645068 436456599 /nfs/dbraw/zinc/45/65/99/436456599.db2.gz AUXZZXQJWGJLSQ-SFHVURJKSA-N 1 1 332.448 0.954 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO ZINC000091664659 436457287 /nfs/dbraw/zinc/45/72/87/436457287.db2.gz OSOQMRPIRNMKDW-HUUCEWRRSA-N 1 1 346.435 0.021 50 0 ECAAMO O=C(Cc1ccc(O)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091746877 436458493 /nfs/dbraw/zinc/45/84/93/436458493.db2.gz RYNIIQBBZGWODQ-HZPDHXFCSA-N 1 1 334.416 0.334 50 0 ECAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000091780016 436459906 /nfs/dbraw/zinc/45/99/06/436459906.db2.gz CZZJAWQYDWPPFM-CQSZACIVSA-N 1 1 347.419 0.808 50 0 ECAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(S(N)(=O)=O)ccc1F)C2 ZINC000091849385 436462725 /nfs/dbraw/zinc/46/27/25/436462725.db2.gz IXKXZBHGHGDRRX-WDEREUQCSA-N 1 1 341.408 0.639 50 0 ECAAMO CC(C)[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)CCS(C)(=O)=O ZINC000091973863 436465318 /nfs/dbraw/zinc/46/53/18/436465318.db2.gz WFQKBCURWMJZDC-CABCVRRESA-N 1 1 346.493 0.673 50 0 ECAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2C[NH2+]CCO2)CC3)cc1 ZINC000096152555 436517741 /nfs/dbraw/zinc/51/77/41/436517741.db2.gz PSMLVWHZJCAJJD-INIZCTEOSA-N 1 1 342.399 0.958 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000096281096 436529827 /nfs/dbraw/zinc/52/98/27/436529827.db2.gz IWHFMXONMYLPDF-OAHLLOKOSA-N 1 1 348.447 0.590 50 0 ECAAMO O=C(c1ccon1)N1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H](O)C1 ZINC000097642186 436544203 /nfs/dbraw/zinc/54/42/03/436544203.db2.gz MHHYHAYOQSUFHT-SNVBAGLBSA-N 1 1 328.332 0.269 50 0 ECAAMO COc1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(N)=O ZINC000098055868 436545410 /nfs/dbraw/zinc/54/54/10/436545410.db2.gz BPQRPMKIDMRVSR-VGVVRCBHSA-N 1 1 347.415 0.735 50 0 ECAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+](C)C1 ZINC000054222874 436548029 /nfs/dbraw/zinc/54/80/29/436548029.db2.gz ZBXPDNRCFYVNHY-LBPRGKRZSA-N 1 1 327.388 0.503 50 0 ECAAMO O=C1NCCN2CC[N@H+](C3CCN(Cc4cccnc4)CC3)C[C@H]12 ZINC000106697701 436600564 /nfs/dbraw/zinc/60/05/64/436600564.db2.gz YLUUSJOKINSGTJ-QGZVFWFLSA-N 1 1 329.448 0.162 50 0 ECAAMO Cc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@@H](O)Cn3cccn3)C2)no1 ZINC000106869354 436603108 /nfs/dbraw/zinc/60/31/08/436603108.db2.gz VHTSILFSNQGVLS-HUUCEWRRSA-N 1 1 334.424 0.532 50 0 ECAAMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000107581081 436612816 /nfs/dbraw/zinc/61/28/16/436612816.db2.gz JUZMJZWZUNTOSE-JKSUJKDBSA-N 1 1 331.416 0.624 50 0 ECAAMO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000108087322 436615496 /nfs/dbraw/zinc/61/54/96/436615496.db2.gz GDNSFCGSCFHIOF-LSDHHAIUSA-N 1 1 346.435 0.711 50 0 ECAAMO CC(=O)N1CCCn2nc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2C1 ZINC000065370576 436655102 /nfs/dbraw/zinc/65/51/02/436655102.db2.gz MGPDLADYBGIJBK-UHFFFAOYSA-N 1 1 345.447 0.946 50 0 ECAAMO O=C(NCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)c1ccncc1 ZINC000065372216 436656367 /nfs/dbraw/zinc/65/63/67/436656367.db2.gz LDTIFPZZLDQBRJ-SJLPKXTDSA-N 1 1 332.448 0.780 50 0 ECAAMO O=C(NCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)c1ccncc1 ZINC000065372216 436656371 /nfs/dbraw/zinc/65/63/71/436656371.db2.gz LDTIFPZZLDQBRJ-SJLPKXTDSA-N 1 1 332.448 0.780 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC1(Cn2cccn2)CC1 ZINC000065387912 436657565 /nfs/dbraw/zinc/65/75/65/436657565.db2.gz LPQLOXRXTYFMJJ-CQSZACIVSA-N 1 1 333.436 0.378 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC1(Cn2cccn2)CC1 ZINC000065387912 436657569 /nfs/dbraw/zinc/65/75/69/436657569.db2.gz LPQLOXRXTYFMJJ-CQSZACIVSA-N 1 1 333.436 0.378 50 0 ECAAMO CC(=O)NCC[NH2+]Cc1cn(CCN2CCSCC2)nc1C ZINC000065395731 436658426 /nfs/dbraw/zinc/65/84/26/436658426.db2.gz WNRQWNRMAQNRBQ-UHFFFAOYSA-N 1 1 325.482 0.466 50 0 ECAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCn2nc(CO)cc2C1 ZINC000220233835 436699802 /nfs/dbraw/zinc/69/98/02/436699802.db2.gz VSDWNUDGJIQYIO-UHFFFAOYSA-N 1 1 326.400 0.776 50 0 ECAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCn2nc(CO)cc2C1 ZINC000220233835 436699805 /nfs/dbraw/zinc/69/98/05/436699805.db2.gz VSDWNUDGJIQYIO-UHFFFAOYSA-N 1 1 326.400 0.776 50 0 ECAAMO COc1cc(F)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c(F)c1 ZINC000223608913 436707747 /nfs/dbraw/zinc/70/77/47/436707747.db2.gz RKJNJCATOCAYSP-UHFFFAOYSA-N 1 1 327.331 0.653 50 0 ECAAMO CCC[C@@H]1CN(c2nc3c(cnn3C)c(N)n2)CC[N@H+]1CCOC ZINC000225513522 436712212 /nfs/dbraw/zinc/71/22/12/436712212.db2.gz DQBDVZRGLNYXCL-GFCCVEGCSA-N 1 1 333.440 0.883 50 0 ECAAMO CC1(C)NC(=O)N(CC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1=O ZINC000065550778 436666458 /nfs/dbraw/zinc/66/64/58/436666458.db2.gz JCTKFEYZCIGLJB-CQSZACIVSA-N 1 1 344.415 0.880 50 0 ECAAMO CC1(C)NC(=O)N(CC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1=O ZINC000065550778 436666461 /nfs/dbraw/zinc/66/64/61/436666461.db2.gz JCTKFEYZCIGLJB-CQSZACIVSA-N 1 1 344.415 0.880 50 0 ECAAMO NC(=O)Cn1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000065612685 436668759 /nfs/dbraw/zinc/66/87/59/436668759.db2.gz KCHFVEYJEVBVCA-CQSZACIVSA-N 1 1 327.388 0.972 50 0 ECAAMO NC(=O)Cn1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000065612685 436668762 /nfs/dbraw/zinc/66/87/62/436668762.db2.gz KCHFVEYJEVBVCA-CQSZACIVSA-N 1 1 327.388 0.972 50 0 ECAAMO Cc1c(C(=O)N2CCN(CC(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236794356 436719621 /nfs/dbraw/zinc/71/96/21/436719621.db2.gz OWXNFXYKNCAWNC-UHFFFAOYSA-N 1 1 334.468 0.925 50 0 ECAAMO Cc1[nH+]ccn1CC(=O)NCc1nnc2ccc(N3CCCC3)nn21 ZINC000240104328 436757516 /nfs/dbraw/zinc/75/75/16/436757516.db2.gz UQGBNLDPHAEOBD-UHFFFAOYSA-N 1 1 340.391 0.546 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000241946760 436759116 /nfs/dbraw/zinc/75/91/16/436759116.db2.gz UNRWBBQGECWYFY-OWCLPIDISA-N 1 1 336.436 0.065 50 0 ECAAMO COC(=O)c1ccc(N2CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](C)C2)cc1 ZINC000069352165 436770070 /nfs/dbraw/zinc/77/00/70/436770070.db2.gz FGZVZJJEMARCOA-LBPRGKRZSA-N 1 1 348.403 0.569 50 0 ECAAMO Cc1ccc([C@H](CNS(=O)(=O)N2CCOCC2)[NH+]2CCCC2)o1 ZINC000069416942 436773024 /nfs/dbraw/zinc/77/30/24/436773024.db2.gz NRMMNHRHMHVNHD-AWEZNQCLSA-N 1 1 343.449 0.892 50 0 ECAAMO Cc1cc(C)n(CC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000069420760 436773123 /nfs/dbraw/zinc/77/31/23/436773123.db2.gz GWLNIKAIURPHNE-UHFFFAOYSA-N 1 1 330.436 0.968 50 0 ECAAMO Cc1cc(C)n(CC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000069420760 436773126 /nfs/dbraw/zinc/77/31/26/436773126.db2.gz GWLNIKAIURPHNE-UHFFFAOYSA-N 1 1 330.436 0.968 50 0 ECAAMO CCC[N@H+](C[C@@H](O)CN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000246272518 436775899 /nfs/dbraw/zinc/77/58/99/436775899.db2.gz MRECTLVGAAMHGD-HOTGVXAUSA-N 1 1 332.510 0.978 50 0 ECAAMO CCC[N@@H+](C[C@@H](O)CN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000246272518 436775903 /nfs/dbraw/zinc/77/59/03/436775903.db2.gz MRECTLVGAAMHGD-HOTGVXAUSA-N 1 1 332.510 0.978 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@H](O)COC[C@H]2CCCO2)n1 ZINC000248026918 436798751 /nfs/dbraw/zinc/79/87/51/436798751.db2.gz KLXFJJKQNSQKKZ-YESZJQIVSA-N 1 1 338.452 0.916 50 0 ECAAMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000257187475 436857720 /nfs/dbraw/zinc/85/77/20/436857720.db2.gz BIIQMHIJRVFZMF-DLBZAZTESA-N 1 1 328.416 0.801 50 0 ECAAMO CCn1ccnc1CN1CC[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC000252474597 436832479 /nfs/dbraw/zinc/83/24/79/436832479.db2.gz ICTYDDKPZFCCER-CVEARBPZSA-N 1 1 332.452 0.667 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCC3)C[C@H]2C)CC1 ZINC000257366393 436876169 /nfs/dbraw/zinc/87/61/69/436876169.db2.gz WGWCRHNEZICUNN-HLLBOEOZSA-N 1 1 336.480 0.482 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000299754324 437110081 /nfs/dbraw/zinc/11/00/81/437110081.db2.gz WLJAXIZGDUXVRL-YGRLFVJLSA-N 1 1 337.449 0.895 50 0 ECAAMO C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000188097972 437524271 /nfs/dbraw/zinc/52/42/71/437524271.db2.gz QAZNSNQQAUETSJ-OAHLLOKOSA-N 1 1 344.459 0.785 50 0 ECAAMO CNS(=O)(=O)CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000188177938 437530859 /nfs/dbraw/zinc/53/08/59/437530859.db2.gz ULFZLPUKKNZVPC-UHFFFAOYSA-N 1 1 332.470 0.196 50 0 ECAAMO COc1ccc(-n2c(C[NH3+])nnc2SCCS(C)(=O)=O)cc1 ZINC000426410745 438057223 /nfs/dbraw/zinc/05/72/23/438057223.db2.gz SKPMRDMWQAFJFH-UHFFFAOYSA-N 1 1 342.446 0.871 50 0 ECAAMO [NH3+]CCOc1ccc(CC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000426472969 438060283 /nfs/dbraw/zinc/06/02/83/438060283.db2.gz QFFJFTXVJQCXMQ-UHFFFAOYSA-N 1 1 347.459 0.890 50 0 ECAAMO Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426667434 438071343 /nfs/dbraw/zinc/07/13/43/438071343.db2.gz NGYIXIKMRDIZMA-NSHDSACASA-N 1 1 349.416 0.244 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)C1 ZINC000426653016 438071632 /nfs/dbraw/zinc/07/16/32/438071632.db2.gz UWOYVSPPUXAWHR-ZDUSSCGKSA-N 1 1 349.435 0.874 50 0 ECAAMO C[NH+]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000409414647 438583943 /nfs/dbraw/zinc/58/39/43/438583943.db2.gz NSVRVPSVHASBKZ-CQSZACIVSA-N 1 1 330.388 0.666 50 0 ECAAMO COC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000599484719 439485949 /nfs/dbraw/zinc/48/59/49/439485949.db2.gz PQOPKFOXQIJFFM-HNNXBMFYSA-N 1 1 329.397 0.394 50 0 ECAAMO COC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]1CCC(=O)NC(N)=O ZINC000599484719 439485952 /nfs/dbraw/zinc/48/59/52/439485952.db2.gz PQOPKFOXQIJFFM-HNNXBMFYSA-N 1 1 329.397 0.394 50 0 ECAAMO CCOCC1(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)CCC1 ZINC000534650457 439531090 /nfs/dbraw/zinc/53/10/90/439531090.db2.gz FNPPOHLONIAVDN-CQSZACIVSA-N 1 1 325.453 0.908 50 0 ECAAMO CCOCC1(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)CCC1 ZINC000534650457 439531093 /nfs/dbraw/zinc/53/10/93/439531093.db2.gz FNPPOHLONIAVDN-CQSZACIVSA-N 1 1 325.453 0.908 50 0 ECAAMO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000585120673 439632578 /nfs/dbraw/zinc/63/25/78/439632578.db2.gz AMYNWPOVYOUKCC-BZUAXINKSA-N 1 1 335.448 0.614 50 0 ECAAMO COC(=O)c1cc(S(=O)(=O)N2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c[nH]1 ZINC000585135113 439634659 /nfs/dbraw/zinc/63/46/59/439634659.db2.gz YCXRPWDAFIVLAF-GASCZTMLSA-N 1 1 341.433 0.764 50 0 ECAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)[nH]n1 ZINC000067946192 517493136 /nfs/dbraw/zinc/49/31/36/517493136.db2.gz UFSOCDPDNJTHRN-LLVKDONJSA-N 1 1 349.416 0.818 50 0 ECAAMO C[C@@]1([C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)NC(=O)NC1=O ZINC000084668182 545713210 /nfs/dbraw/zinc/71/32/10/545713210.db2.gz DPRAAYWAAVANGR-BZNIZROVSA-N 1 1 334.376 0.206 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1NC(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000091665863 545724325 /nfs/dbraw/zinc/72/43/25/545724325.db2.gz DDWBSQMBCDDVGC-CABCVRRESA-N 1 1 348.447 0.478 50 0 ECAAMO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000585091679 546287551 /nfs/dbraw/zinc/28/75/51/546287551.db2.gz NKSOCHMUYWSXAC-GOSISDBHSA-N 1 1 348.399 0.715 50 0 ECAAMO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000585091680 546287801 /nfs/dbraw/zinc/28/78/01/546287801.db2.gz NKSOCHMUYWSXAC-SFHVURJKSA-N 1 1 348.399 0.715 50 0 ECAAMO COc1ccc2[nH]c(CNC(=O)CN3CCC[N@@H+](C)CC3)nc2c1 ZINC000670468737 548016637 /nfs/dbraw/zinc/01/66/37/548016637.db2.gz RWWKCZSOKXHCII-UHFFFAOYSA-N 1 1 331.420 0.825 50 0 ECAAMO COc1ccc2nc(CNC(=O)CN3CCC[N@H+](C)CC3)[nH]c2c1 ZINC000670468737 548016641 /nfs/dbraw/zinc/01/66/41/548016641.db2.gz RWWKCZSOKXHCII-UHFFFAOYSA-N 1 1 331.420 0.825 50 0 ECAAMO COc1ccc2nc(CNC(=O)CN3CCC[N@@H+](C)CC3)[nH]c2c1 ZINC000670468737 548016646 /nfs/dbraw/zinc/01/66/46/548016646.db2.gz RWWKCZSOKXHCII-UHFFFAOYSA-N 1 1 331.420 0.825 50 0 ECAAMO Ic1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)cn1 ZINC000685944813 549729600 /nfs/dbraw/zinc/72/96/00/549729600.db2.gz AFMUJUYTHVTOHP-SECBINFHSA-N 1 1 346.172 0.602 50 0 ECAAMO Ic1cnc(N2CC[N@H+]3CCOC[C@H]3C2)cn1 ZINC000685944813 549729602 /nfs/dbraw/zinc/72/96/02/549729602.db2.gz AFMUJUYTHVTOHP-SECBINFHSA-N 1 1 346.172 0.602 50 0 ECAAMO CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@](O)(Cn3ccnn3)C2)C1=O ZINC000585081580 586779366 /nfs/dbraw/zinc/77/93/66/586779366.db2.gz RRWWSTVCYWQSCZ-WMLDXEAASA-N 1 1 335.452 0.752 50 0 ECAAMO CN1C[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC1=O ZINC000818793156 587452984 /nfs/dbraw/zinc/45/29/84/587452984.db2.gz FUCIFNGVYMXUEP-LBPRGKRZSA-N 1 1 332.404 0.994 50 0 ECAAMO COC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952965808 612138624 /nfs/dbraw/zinc/13/86/24/612138624.db2.gz UGVVAEQQOYMMFI-CVEARBPZSA-N 1 1 333.432 0.558 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000046463343 762661287 /nfs/dbraw/zinc/66/12/87/762661287.db2.gz FIHMHDFWIZSMHH-ZSOIEALJSA-N 1 1 337.445 0.741 50 0 ECAAMO Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000019235543 202001122 /nfs/dbraw/zinc/00/11/22/202001122.db2.gz HUDFXBYFKAHWSK-UHFFFAOYSA-N 1 1 339.461 0.843 50 0 ECAAMO COCCN1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019882041 202025053 /nfs/dbraw/zinc/02/50/53/202025053.db2.gz KZUMRKHRQFISFI-INIZCTEOSA-N 1 1 331.416 0.578 50 0 ECAAMO OCC[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020453010 202043141 /nfs/dbraw/zinc/04/31/41/202043141.db2.gz MJPFXZFGIJHDSQ-KRWDZBQOSA-N 1 1 347.459 0.990 50 0 ECAAMO Cc1nc(N2CCCC2)ncc1C(=O)NCCC[NH+]1CCOCC1 ZINC000021930872 202074458 /nfs/dbraw/zinc/07/44/58/202074458.db2.gz KCKZHLSERLYDBE-UHFFFAOYSA-N 1 1 333.436 0.837 50 0 ECAAMO NC(=O)NC(=O)CC[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000022934333 202095216 /nfs/dbraw/zinc/09/52/16/202095216.db2.gz SJGOAOXLYPMJAC-UHFFFAOYSA-N 1 1 341.415 0.937 50 0 ECAAMO CN(C)c1nc(N)nc(CN2CC[NH+](Cc3cccs3)CC2)n1 ZINC000023249098 202100640 /nfs/dbraw/zinc/10/06/40/202100640.db2.gz WYCTYVXHIMQSOE-UHFFFAOYSA-N 1 1 333.465 0.899 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)o1 ZINC000069484944 202283954 /nfs/dbraw/zinc/28/39/54/202283954.db2.gz HPJKYWIAXQMVLG-VXGBXAGGSA-N 1 1 341.433 0.887 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)n1 ZINC000069624626 202287586 /nfs/dbraw/zinc/28/75/86/202287586.db2.gz AWZIIFIOPHDNSM-ZDUSSCGKSA-N 1 1 334.424 0.690 50 0 ECAAMO CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1Cn1cccn1)N1CCOCC1 ZINC000069813459 202294113 /nfs/dbraw/zinc/29/41/13/202294113.db2.gz UHRPIQVMDBSNID-INIZCTEOSA-N 1 1 349.479 0.575 50 0 ECAAMO C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1[NH+]1CCOCC1 ZINC000072300398 202363379 /nfs/dbraw/zinc/36/33/79/202363379.db2.gz KGHBVFFRQJYSAG-WMLDXEAASA-N 1 1 343.427 0.822 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)nc12 ZINC000072302425 202363700 /nfs/dbraw/zinc/36/37/00/202363700.db2.gz NTAVRBIAQPTGBW-UHFFFAOYSA-N 1 1 337.383 0.655 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)nc12 ZINC000072302425 202363702 /nfs/dbraw/zinc/36/37/02/202363702.db2.gz NTAVRBIAQPTGBW-UHFFFAOYSA-N 1 1 337.383 0.655 50 0 ECAAMO CCCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000078394004 202390000 /nfs/dbraw/zinc/39/00/00/202390000.db2.gz BRZJSSPVRXGPEQ-UHFFFAOYSA-N 1 1 335.408 0.445 50 0 ECAAMO C[N@@H+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@@H]1CCO ZINC000072433115 216227372 /nfs/dbraw/zinc/22/73/72/216227372.db2.gz MJNGGBWGHYCFRR-HNNXBMFYSA-N 1 1 332.404 0.355 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)C[C@@H]1CCO ZINC000072433115 216227375 /nfs/dbraw/zinc/22/73/75/216227375.db2.gz MJNGGBWGHYCFRR-HNNXBMFYSA-N 1 1 332.404 0.355 50 0 ECAAMO C[NH+]1CCN(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)CC1 ZINC000072478360 216257619 /nfs/dbraw/zinc/25/76/19/216257619.db2.gz UJOHJYWQENTZLN-LSDHHAIUSA-N 1 1 338.452 0.049 50 0 ECAAMO Cc1csc(N2CC[N@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C)n1 ZINC000229513350 201041752 /nfs/dbraw/zinc/04/17/52/201041752.db2.gz PERLYJHXRRAWLE-GJZGRUSLSA-N 1 1 340.493 0.655 50 0 ECAAMO C[C@@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544858 201042414 /nfs/dbraw/zinc/04/24/14/201042414.db2.gz SFNAQUCZIJPDCQ-GDBMZVCRSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCN1C[C@@H](O)c1ccccc1 ZINC000229544858 201042420 /nfs/dbraw/zinc/04/24/20/201042420.db2.gz SFNAQUCZIJPDCQ-GDBMZVCRSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1C[C@@H](O)c1ccccc1 ZINC000229544858 201042421 /nfs/dbraw/zinc/04/24/21/201042421.db2.gz SFNAQUCZIJPDCQ-GDBMZVCRSA-N 1 1 341.477 0.405 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000229888365 201043959 /nfs/dbraw/zinc/04/39/59/201043959.db2.gz RQMJZYAEYDRVTJ-WMLDXEAASA-N 1 1 346.431 0.614 50 0 ECAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccn1 ZINC000042870851 202502996 /nfs/dbraw/zinc/50/29/96/202502996.db2.gz SSAHLXMHMWCRRB-CYBMUJFWSA-N 1 1 349.416 0.562 50 0 ECAAMO COc1cccc(CN2CCN(C)[C@@H](CO)C2)c1OCC[NH+](C)C ZINC000216193960 241172294 /nfs/dbraw/zinc/17/22/94/241172294.db2.gz HPKTVGCQYFMYLP-MRXNPFEDSA-N 1 1 337.464 0.744 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217490910 241251936 /nfs/dbraw/zinc/25/19/36/241251936.db2.gz YLCODROEKUJPKD-CYBMUJFWSA-N 1 1 344.419 1.000 50 0 ECAAMO CC(=O)N1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)[C@H](O)C1 ZINC000244718679 243066994 /nfs/dbraw/zinc/06/69/94/243066994.db2.gz LOWLSMPSOQEGLZ-HZPDHXFCSA-N 1 1 337.395 0.355 50 0 ECAAMO CC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccc(F)cc2)[C@H](O)C1 ZINC000244718679 243067002 /nfs/dbraw/zinc/06/70/02/243067002.db2.gz LOWLSMPSOQEGLZ-HZPDHXFCSA-N 1 1 337.395 0.355 50 0 ECAAMO C[NH+](C)[C@@H]1CCN(CC(=O)NCCc2n[nH]c(-c3cccnc3)n2)C1 ZINC000244778768 243079935 /nfs/dbraw/zinc/07/99/35/243079935.db2.gz PWEKGTNYBXDLKT-CQSZACIVSA-N 1 1 343.435 0.161 50 0 ECAAMO C[NH+](C)[C@@H]1CCN(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)C1 ZINC000244778768 243079940 /nfs/dbraw/zinc/07/99/40/243079940.db2.gz PWEKGTNYBXDLKT-CQSZACIVSA-N 1 1 343.435 0.161 50 0 ECAAMO O=C(CCN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000020663694 212160739 /nfs/dbraw/zinc/16/07/39/212160739.db2.gz DUOQGIWFFSZPBC-UHFFFAOYSA-N 1 1 345.399 0.511 50 0 ECAAMO CCn1nc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c2ccccc2c1=O ZINC000069843154 203055848 /nfs/dbraw/zinc/05/58/48/203055848.db2.gz NYKJSZOXWHIEEU-CYBMUJFWSA-N 1 1 344.415 0.555 50 0 ECAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000069770272 203046609 /nfs/dbraw/zinc/04/66/09/203046609.db2.gz FAYYZSXWRLRIFA-WCQYABFASA-N 1 1 333.388 0.998 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000069921040 203063619 /nfs/dbraw/zinc/06/36/19/203063619.db2.gz PLGMRKWGDCSDER-HZPDHXFCSA-N 1 1 336.432 0.996 50 0 ECAAMO COCC[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000070016695 203069853 /nfs/dbraw/zinc/06/98/53/203069853.db2.gz VPZPUPACSUPJTO-HNNXBMFYSA-N 1 1 341.477 0.617 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccnc3)C2)CC1 ZINC000071405856 203095238 /nfs/dbraw/zinc/09/52/38/203095238.db2.gz RXAVXZJXRBOUPD-HOTGVXAUSA-N 1 1 346.431 0.378 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccnc3)C2)CC1 ZINC000071405856 203095240 /nfs/dbraw/zinc/09/52/40/203095240.db2.gz RXAVXZJXRBOUPD-HOTGVXAUSA-N 1 1 346.431 0.378 50 0 ECAAMO CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC000071915320 203149365 /nfs/dbraw/zinc/14/93/65/203149365.db2.gz CGRMPGQTOXLVSE-IRXDYDNUSA-N 1 1 344.459 0.664 50 0 ECAAMO COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072128149 203164562 /nfs/dbraw/zinc/16/45/62/203164562.db2.gz USHUSUCKGOEBAN-FZKCQIBNSA-N 1 1 334.416 0.375 50 0 ECAAMO Cc1cncc(C(=O)N2CC[NH2+]C[C@H]2C(=O)NCc2ccncc2)c1 ZINC000072130690 203166568 /nfs/dbraw/zinc/16/65/68/203166568.db2.gz RZXWWZBMWSLHAR-INIZCTEOSA-N 1 1 339.399 0.515 50 0 ECAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)c(=O)n1C ZINC000072165427 203179159 /nfs/dbraw/zinc/17/91/59/203179159.db2.gz POGKXGLVGIYHHR-HNNXBMFYSA-N 1 1 333.432 0.755 50 0 ECAAMO Cc1nc(CC(=O)N2C[C@H](O)[C@@H]([NH+]3CCSCC3)C2)cs1 ZINC000072436376 203223987 /nfs/dbraw/zinc/22/39/87/203223987.db2.gz WSVDAJWRNDVNOW-STQMWFEESA-N 1 1 327.475 0.615 50 0 ECAAMO OC[C@H]1CCC[N@H+](CCn2ccnc2-c2cc3n(n2)CCNC3)C1 ZINC000072440085 203224147 /nfs/dbraw/zinc/22/41/47/203224147.db2.gz QWKPHNNNVVNINI-AWEZNQCLSA-N 1 1 330.436 0.554 50 0 ECAAMO OC[C@H]1CCC[N@@H+](CCn2ccnc2-c2cc3n(n2)CCNC3)C1 ZINC000072440085 203224151 /nfs/dbraw/zinc/22/41/51/203224151.db2.gz QWKPHNNNVVNINI-AWEZNQCLSA-N 1 1 330.436 0.554 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000076432665 203353113 /nfs/dbraw/zinc/35/31/13/203353113.db2.gz OKUVJYFQYOQJKT-MRXNPFEDSA-N 1 1 331.416 0.886 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000076432665 203353115 /nfs/dbraw/zinc/35/31/15/203353115.db2.gz OKUVJYFQYOQJKT-MRXNPFEDSA-N 1 1 331.416 0.886 50 0 ECAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000077287385 203376699 /nfs/dbraw/zinc/37/66/99/203376699.db2.gz AFRABSCRNVZFKC-CQSZACIVSA-N 1 1 345.403 0.370 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000077343011 203381595 /nfs/dbraw/zinc/38/15/95/203381595.db2.gz YBHOGVSGZMVZGZ-UHFFFAOYSA-N 1 1 345.451 0.750 50 0 ECAAMO Cc1nc(N)nc(C)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077353663 203382818 /nfs/dbraw/zinc/38/28/18/203382818.db2.gz MURABIXLLQXMTD-HNNXBMFYSA-N 1 1 347.463 0.931 50 0 ECAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000077488048 203391032 /nfs/dbraw/zinc/39/10/32/203391032.db2.gz JNAGWXUFKPRMPR-CYBMUJFWSA-N 1 1 345.403 0.060 50 0 ECAAMO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106057192 204184228 /nfs/dbraw/zinc/18/42/28/204184228.db2.gz YKRPKJQLFKQLRL-MCIONIFRSA-N 1 1 347.419 0.110 50 0 ECAAMO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106057192 204184231 /nfs/dbraw/zinc/18/42/31/204184231.db2.gz YKRPKJQLFKQLRL-MCIONIFRSA-N 1 1 347.419 0.110 50 0 ECAAMO C[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000106099567 204184987 /nfs/dbraw/zinc/18/49/87/204184987.db2.gz WXJRGYMMXKZRTN-MGPQQGTHSA-N 1 1 331.482 0.935 50 0 ECAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC000091435335 218004705 /nfs/dbraw/zinc/00/47/05/218004705.db2.gz GWCYEFUDSVFLAQ-ZDUSSCGKSA-N 1 1 333.392 0.515 50 0 ECAAMO CN(C)c1[nH+]cc(CNC(=O)NCc2cccc(N(C)C)n2)n1C ZINC000095437678 218380667 /nfs/dbraw/zinc/38/06/67/218380667.db2.gz AJZSPAHRSXATGZ-UHFFFAOYSA-N 1 1 331.424 0.947 50 0 ECAAMO CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000496469410 255102735 /nfs/dbraw/zinc/10/27/35/255102735.db2.gz LVHWRJLWSIDMFI-UONOGXRCSA-N 1 1 338.452 0.502 50 0 ECAAMO COCCc1noc([C@H](C)NC(=O)CC[NH+]2CCN(C)CC2)n1 ZINC000299792668 258098251 /nfs/dbraw/zinc/09/82/51/258098251.db2.gz GMBDQHWVPPKLQT-LBPRGKRZSA-N 1 1 325.413 0.073 50 0 ECAAMO CO[C@]12CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)[C@H]1C[C@H](O)CC2 ZINC000299797718 258101784 /nfs/dbraw/zinc/10/17/84/258101784.db2.gz QAZCOXSEIGPBKA-QIIPPGSGSA-N 1 1 345.399 0.904 50 0 ECAAMO CC(C)n1cnnc1C[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299758842 258076180 /nfs/dbraw/zinc/07/61/80/258076180.db2.gz QUHVBPTYESNMBD-IVSAIRAKSA-N 1 1 336.436 0.847 50 0 ECAAMO CC(C)n1cnnc1C[N@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299758842 258076182 /nfs/dbraw/zinc/07/61/82/258076182.db2.gz QUHVBPTYESNMBD-IVSAIRAKSA-N 1 1 336.436 0.847 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@H]2C1 ZINC000285935466 264353547 /nfs/dbraw/zinc/35/35/47/264353547.db2.gz VIGQNLACHAXGID-HOTGVXAUSA-N 1 1 342.399 0.328 50 0 ECAAMO COCCN1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]c(C)c3C)C2)C1=O ZINC000091906430 277222386 /nfs/dbraw/zinc/22/23/86/277222386.db2.gz JBVYYNPGUAJBFF-SFHVURJKSA-N 1 1 348.447 0.987 50 0 ECAAMO COc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091433777 278007759 /nfs/dbraw/zinc/00/77/59/278007759.db2.gz MUVKHOFFCIOCBC-HUUCEWRRSA-N 1 1 336.432 0.608 50 0 ECAAMO Cc1ncncc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091604264 279177077 /nfs/dbraw/zinc/17/70/77/279177077.db2.gz ILCKNMOGAFJKFT-HZPDHXFCSA-N 1 1 347.463 0.103 50 0 ECAAMO Cc1ncncc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091604264 279177081 /nfs/dbraw/zinc/17/70/81/279177081.db2.gz ILCKNMOGAFJKFT-HZPDHXFCSA-N 1 1 347.463 0.103 50 0 ECAAMO Cc1ncncc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091604264 279177085 /nfs/dbraw/zinc/17/70/85/279177085.db2.gz ILCKNMOGAFJKFT-HZPDHXFCSA-N 1 1 347.463 0.103 50 0 ECAAMO CCS(=O)(=O)N(C)C1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408522576 280006477 /nfs/dbraw/zinc/00/64/77/280006477.db2.gz BJSZISMKRLOKAC-HUUCEWRRSA-N 1 1 347.525 0.842 50 0 ECAAMO C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000048160590 290010792 /nfs/dbraw/zinc/01/07/92/290010792.db2.gz ACBUQXAADMBHGT-CQSZACIVSA-N 1 1 325.434 0.441 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000048160590 290010793 /nfs/dbraw/zinc/01/07/93/290010793.db2.gz ACBUQXAADMBHGT-CQSZACIVSA-N 1 1 325.434 0.441 50 0 ECAAMO O=C(c1cccc2nccnc21)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072151025 304560398 /nfs/dbraw/zinc/56/03/98/304560398.db2.gz SXIREBPIWQMDGV-OAHLLOKOSA-N 1 1 339.399 0.666 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOC)n(C)c1=O ZINC000008710208 436030204 /nfs/dbraw/zinc/03/02/04/436030204.db2.gz FSXYDRYXYKCDNJ-UHFFFAOYSA-N 1 1 334.380 0.149 50 0 ECAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 ZINC000072156400 436032903 /nfs/dbraw/zinc/03/29/03/436032903.db2.gz GOUKRZXCSSLZKT-HNNXBMFYSA-N 1 1 339.461 0.659 50 0 ECAAMO O=C(CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC000072274039 436038435 /nfs/dbraw/zinc/03/84/35/436038435.db2.gz MJYYLNYARHSQBL-CABCVRRESA-N 1 1 338.452 0.598 50 0 ECAAMO COC(=O)C[C@H](C)[NH+]1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000072309406 436041926 /nfs/dbraw/zinc/04/19/26/436041926.db2.gz OLDITNHWRYBQBU-LBPRGKRZSA-N 1 1 342.440 0.180 50 0 ECAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c(OC)c1 ZINC000011292604 436043000 /nfs/dbraw/zinc/04/30/00/436043000.db2.gz LGNYYTDDOMNEKF-UHFFFAOYSA-N 1 1 333.388 0.733 50 0 ECAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c(OC)c1 ZINC000011292604 436043004 /nfs/dbraw/zinc/04/30/04/436043004.db2.gz LGNYYTDDOMNEKF-UHFFFAOYSA-N 1 1 333.388 0.733 50 0 ECAAMO C[N@H+]1CCC[C@H]1CCNc1nc2nonc2nc1N1CCOCC1 ZINC000012054281 436046958 /nfs/dbraw/zinc/04/69/58/436046958.db2.gz CZDJNSMZJHVZMQ-NSHDSACASA-N 1 1 333.396 0.746 50 0 ECAAMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccnc2)n2ncnc2N1 ZINC000013551382 436063205 /nfs/dbraw/zinc/06/32/05/436063205.db2.gz HBOGJNOBNATKAS-OAHLLOKOSA-N 1 1 339.403 0.736 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(N)=O)CC2)cc1 ZINC000016428212 436092587 /nfs/dbraw/zinc/09/25/87/436092587.db2.gz ILTMAZPCLHENRS-UHFFFAOYSA-N 1 1 325.434 0.567 50 0 ECAAMO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000024166501 436131216 /nfs/dbraw/zinc/13/12/16/436131216.db2.gz YNHNKYVREVWBOF-UHFFFAOYSA-N 1 1 344.415 0.948 50 0 ECAAMO C[C@@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000076058282 436189901 /nfs/dbraw/zinc/18/99/01/436189901.db2.gz WUYXXOGRRJOIJU-PWSUYJOCSA-N 1 1 338.433 0.105 50 0 ECAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000040473187 436264844 /nfs/dbraw/zinc/26/48/44/436264844.db2.gz JXRCKYKSSAAFTE-BETUJISGSA-N 1 1 333.436 0.802 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc2n1 ZINC000078789199 436277579 /nfs/dbraw/zinc/27/75/79/436277579.db2.gz IDFYQIBZRFABTK-KBPBESRZSA-N 1 1 344.419 0.412 50 0 ECAAMO OCC[NH+]1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000042623613 436309023 /nfs/dbraw/zinc/30/90/23/436309023.db2.gz KCRUUVRRNFYZIK-UHFFFAOYSA-N 1 1 336.367 0.898 50 0 ECAAMO CN(C)S(=O)(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082134356 436361729 /nfs/dbraw/zinc/36/17/29/436361729.db2.gz JAGOIAUKSOVHRZ-UHFFFAOYSA-N 1 1 341.481 0.927 50 0 ECAAMO CC[C@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736075 436384377 /nfs/dbraw/zinc/38/43/77/436384377.db2.gz HSQDFVZUPNEMPE-ZFWWWQNUSA-N 1 1 334.420 0.446 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cncn2-c2ccccc2)CC1 ZINC000046448996 436395719 /nfs/dbraw/zinc/39/57/19/436395719.db2.gz ZVOLYHINVGUAST-UHFFFAOYSA-N 1 1 341.415 0.813 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044934406 436354552 /nfs/dbraw/zinc/35/45/52/436354552.db2.gz UZLLIXKKQFZRTH-GXTWGEPZSA-N 1 1 329.466 0.401 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325724 436449162 /nfs/dbraw/zinc/44/91/62/436449162.db2.gz GFJSWGGSURVWGZ-CVEARBPZSA-N 1 1 335.452 0.214 50 0 ECAAMO CC[N@@H+](CCc1ccccc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000048355396 436450559 /nfs/dbraw/zinc/45/05/59/436450559.db2.gz RUSKFVKMGGTAPK-UHFFFAOYSA-N 1 1 344.415 0.414 50 0 ECAAMO CN1CC[C@]2(CN(C(=O)c3cccc(CO)n3)CC[N@H+]2C)CCC1=O ZINC000091493836 436452661 /nfs/dbraw/zinc/45/26/61/436452661.db2.gz GOLDIGZENFTXRO-SFHVURJKSA-N 1 1 346.431 0.343 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc(O)cc3)C[C@@H]2CO)CC1 ZINC000091645201 436456625 /nfs/dbraw/zinc/45/66/25/436456625.db2.gz LYWQKXUGLNQYPO-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(O)cc3)C[C@@H]2CO)CC1 ZINC000091645201 436456627 /nfs/dbraw/zinc/45/66/27/436456627.db2.gz LYWQKXUGLNQYPO-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(O)cc3)C[C@@H]2CO)CC1 ZINC000091645201 436456631 /nfs/dbraw/zinc/45/66/31/436456631.db2.gz LYWQKXUGLNQYPO-IAGOWNOFSA-N 1 1 347.459 0.710 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1CO ZINC000091649690 436456987 /nfs/dbraw/zinc/45/69/87/436456987.db2.gz HVZGRBARZQHSAP-HZPDHXFCSA-N 1 1 337.464 0.901 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)Cn2nccc2C)C1 ZINC000091691676 436457066 /nfs/dbraw/zinc/45/70/66/436457066.db2.gz NTSUKGOZUJRPKY-CVEARBPZSA-N 1 1 338.452 0.227 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1 ZINC000091645641 436457680 /nfs/dbraw/zinc/45/76/80/436457680.db2.gz OSFQWOACJKGATB-PXAZEXFGSA-N 1 1 333.436 0.380 50 0 ECAAMO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)cc1=O ZINC000091736420 436458289 /nfs/dbraw/zinc/45/82/89/436458289.db2.gz BOWXGOYMKXNUAL-TZMCWYRMSA-N 1 1 334.420 0.961 50 0 ECAAMO COc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)cc1=O ZINC000091736420 436458296 /nfs/dbraw/zinc/45/82/96/436458296.db2.gz BOWXGOYMKXNUAL-TZMCWYRMSA-N 1 1 334.420 0.961 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1CO ZINC000091725250 436459374 /nfs/dbraw/zinc/45/93/74/436459374.db2.gz UTXZGIHCIZUACM-GHMZBOCLSA-N 1 1 346.349 0.709 50 0 ECAAMO COc1cccc(C)c1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000092038146 436467769 /nfs/dbraw/zinc/46/77/69/436467769.db2.gz QJLVZEXMBRYGMX-HUUCEWRRSA-N 1 1 336.432 0.608 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000091820196 436460588 /nfs/dbraw/zinc/46/05/88/436460588.db2.gz FUBPVHNWLQOWNH-KRWDZBQOSA-N 1 1 343.431 0.503 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cnc1C ZINC000091943656 436463915 /nfs/dbraw/zinc/46/39/15/436463915.db2.gz QJTBKRCFKYDDHV-QZTJIDSGSA-N 1 1 348.491 0.872 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cnc1C ZINC000091943656 436463917 /nfs/dbraw/zinc/46/39/17/436463917.db2.gz QJTBKRCFKYDDHV-QZTJIDSGSA-N 1 1 348.491 0.872 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH+]1CCOCC1 ZINC000089948599 436422927 /nfs/dbraw/zinc/42/29/27/436422927.db2.gz ALQDXPIESOUZLT-ZIAGYGMSSA-N 1 1 329.404 0.912 50 0 ECAAMO CC[N@H+]1CC[C@H](CNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000089977179 436423635 /nfs/dbraw/zinc/42/36/35/436423635.db2.gz XFESHFSVIFBGJF-GFCCVEGCSA-N 1 1 332.470 0.051 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000089977180 436423669 /nfs/dbraw/zinc/42/36/69/436423669.db2.gz XFESHFSVIFBGJF-LBPRGKRZSA-N 1 1 332.470 0.051 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCc1ccccc1 ZINC000053047871 436521985 /nfs/dbraw/zinc/52/19/85/436521985.db2.gz URSBVCPFUNWMHU-GFCCVEGCSA-N 1 1 344.415 0.412 50 0 ECAAMO CCc1[nH]nc2c1CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CC2 ZINC000095360022 436491910 /nfs/dbraw/zinc/49/19/10/436491910.db2.gz IXRCSTALQPXOJR-LBPRGKRZSA-N 1 1 333.436 0.267 50 0 ECAAMO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n(C)c1=O ZINC000095521407 436498437 /nfs/dbraw/zinc/49/84/37/436498437.db2.gz NYRBBGZKUUISSS-ZIAGYGMSSA-N 1 1 346.431 0.030 50 0 ECAAMO CNC(=O)CC[N@@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000095954950 436501257 /nfs/dbraw/zinc/50/12/57/436501257.db2.gz QZGFOCMMDFWKJL-UHFFFAOYSA-N 1 1 332.448 0.399 50 0 ECAAMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CCC(=O)OC(C)C ZINC000096007156 436503616 /nfs/dbraw/zinc/50/36/16/436503616.db2.gz UWGHERQEDPTLIP-CYBMUJFWSA-N 1 1 329.441 0.810 50 0 ECAAMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)C1 ZINC000096502486 436533610 /nfs/dbraw/zinc/53/36/10/436533610.db2.gz BEIUMFREUZRCBB-HNNXBMFYSA-N 1 1 338.839 0.710 50 0 ECAAMO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)C1 ZINC000096502486 436533614 /nfs/dbraw/zinc/53/36/14/436533614.db2.gz BEIUMFREUZRCBB-HNNXBMFYSA-N 1 1 338.839 0.710 50 0 ECAAMO Cc1cc(C)n(CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(=O)n1 ZINC000055037191 436564586 /nfs/dbraw/zinc/56/45/86/436564586.db2.gz JLQCYJRRSBVYTE-INIZCTEOSA-N 1 1 348.447 0.573 50 0 ECAAMO O=C(CCC(=O)NC1CCCC1)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC000055393061 436577129 /nfs/dbraw/zinc/57/71/29/436577129.db2.gz ZTTGOPVTJQALDE-AWEZNQCLSA-N 1 1 325.453 0.646 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CCCN1CC(=O)NCCCOC(C)C ZINC000058427400 436626437 /nfs/dbraw/zinc/62/64/37/436626437.db2.gz QDHHPZCDZIYZTI-INIZCTEOSA-N 1 1 329.485 0.960 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000106567314 436599349 /nfs/dbraw/zinc/59/93/49/436599349.db2.gz DLDMFUSBVOURSC-UONOGXRCSA-N 1 1 346.497 0.394 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)n1 ZINC000106785689 436601433 /nfs/dbraw/zinc/60/14/33/436601433.db2.gz KLGRTOPJBGFING-IRXDYDNUSA-N 1 1 337.468 0.300 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC000107058215 436609098 /nfs/dbraw/zinc/60/90/98/436609098.db2.gz UKSPMGKXWYZPEY-KSSFIOAISA-N 1 1 333.480 0.984 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000058140552 436620530 /nfs/dbraw/zinc/62/05/30/436620530.db2.gz AVRRZUFOFGEXDN-JTQLQIEISA-N 1 1 338.433 0.786 50 0 ECAAMO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000060061265 436632257 /nfs/dbraw/zinc/63/22/57/436632257.db2.gz BYQSRSUVVRCYQZ-AWEZNQCLSA-N 1 1 349.456 0.975 50 0 ECAAMO O=c1cc(N2CCN(C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)cn[nH]1 ZINC000063882803 436647338 /nfs/dbraw/zinc/64/73/38/436647338.db2.gz WZTSQGLWRTZZKB-SJLPKXTDSA-N 1 1 347.463 0.271 50 0 ECAAMO CC[NH+]1CCN(C(=O)CNC(=O)N2CCSc3ncccc32)CC1 ZINC000064816907 436650504 /nfs/dbraw/zinc/65/05/04/436650504.db2.gz APZIOEKNKDGORL-UHFFFAOYSA-N 1 1 349.460 0.867 50 0 ECAAMO COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000065387682 436658307 /nfs/dbraw/zinc/65/83/07/436658307.db2.gz PMISFWVTVBMEEY-FZKQIMNGSA-N 1 1 346.431 0.210 50 0 ECAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000066581798 436691649 /nfs/dbraw/zinc/69/16/49/436691649.db2.gz VMJUKBADULHHFL-UHFFFAOYSA-N 1 1 346.497 0.059 50 0 ECAAMO C[N@@H+]1CCCN(CC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000223675165 436706891 /nfs/dbraw/zinc/70/68/91/436706891.db2.gz VUYVALGWDUMIEU-UHFFFAOYSA-N 1 1 345.491 0.800 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000223675165 436706896 /nfs/dbraw/zinc/70/68/96/436706896.db2.gz VUYVALGWDUMIEU-UHFFFAOYSA-N 1 1 345.491 0.800 50 0 ECAAMO Cc1nn(CC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1CN1CCN(C)CC1 ZINC000065435890 436662220 /nfs/dbraw/zinc/66/22/20/436662220.db2.gz WFQRNMHEEDADHA-MRXNPFEDSA-N 1 1 348.495 0.136 50 0 ECAAMO Cc1nn(CC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1CN1CCN(C)CC1 ZINC000065435890 436662226 /nfs/dbraw/zinc/66/22/26/436662226.db2.gz WFQRNMHEEDADHA-MRXNPFEDSA-N 1 1 348.495 0.136 50 0 ECAAMO CC1(C)NC(=O)N(CC[N@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000065459028 436662994 /nfs/dbraw/zinc/66/29/94/436662994.db2.gz VXNYNJNXAMXMSR-UHFFFAOYSA-N 1 1 337.449 0.986 50 0 ECAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229297218 436714236 /nfs/dbraw/zinc/71/42/36/436714236.db2.gz YTGQOQYOAVMSFK-HUUCEWRRSA-N 1 1 348.451 0.957 50 0 ECAAMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCOCC1)c1cccc(F)c1 ZINC000065609058 436669472 /nfs/dbraw/zinc/66/94/72/436669472.db2.gz UPPDZUXQGULKDD-CQSZACIVSA-N 1 1 331.413 0.595 50 0 ECAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@@H]2CCCNC2=O)[nH]n1 ZINC000067714460 436719835 /nfs/dbraw/zinc/71/98/35/436719835.db2.gz IBEZJXBOHPPRPN-GFCCVEGCSA-N 1 1 330.392 0.786 50 0 ECAAMO Cc1cc(CC(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)[nH]n1 ZINC000152337774 436727092 /nfs/dbraw/zinc/72/70/92/436727092.db2.gz KCDIOSXQGCNZCQ-QGZVFWFLSA-N 1 1 349.479 0.514 50 0 ECAAMO Cc1cc(CC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)[nH]n1 ZINC000152337869 436728306 /nfs/dbraw/zinc/72/83/06/436728306.db2.gz KCDIOSXQGCNZCQ-KRWDZBQOSA-N 1 1 349.479 0.514 50 0 ECAAMO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)C(=O)N3CCOCC3)C2)oc1C ZINC000067974720 436730873 /nfs/dbraw/zinc/73/08/73/436730873.db2.gz SGXYLXWTSQQVIH-OAHLLOKOSA-N 1 1 349.431 0.693 50 0 ECAAMO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)N2CCCC2)c1 ZINC000237313652 436731766 /nfs/dbraw/zinc/73/17/66/436731766.db2.gz BKJZKPUCFGDAPC-PVAVHDDUSA-N 1 1 333.432 0.671 50 0 ECAAMO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCO)CC1 ZINC000069326432 436768093 /nfs/dbraw/zinc/76/80/93/436768093.db2.gz NMNBHYGJNJNCEJ-CYBMUJFWSA-N 1 1 342.237 0.585 50 0 ECAAMO O=C(CN1CCOC1=O)NCC[C@@H]1C[N@H+](C2CCCC2)CCO1 ZINC000067587815 436716231 /nfs/dbraw/zinc/71/62/31/436716231.db2.gz SEFMZRKAHLXRBH-CQSZACIVSA-N 1 1 325.409 0.588 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248894885 436812188 /nfs/dbraw/zinc/81/21/88/436812188.db2.gz IKOJAPQMALIZAE-GJZGRUSLSA-N 1 1 344.415 0.755 50 0 ECAAMO O=C(NCCn1ccnc1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000069326401 436768552 /nfs/dbraw/zinc/76/85/52/436768552.db2.gz QBJTTWZXJHNTBU-QGZVFWFLSA-N 1 1 343.431 0.602 50 0 ECAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000247793180 436797109 /nfs/dbraw/zinc/79/71/09/436797109.db2.gz POGVOALKNLKDEB-UONOGXRCSA-N 1 1 346.387 0.911 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000248113048 436800343 /nfs/dbraw/zinc/80/03/43/436800343.db2.gz HXQAFJWBAJPOBU-HZPDHXFCSA-N 1 1 341.415 0.877 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417136 436842983 /nfs/dbraw/zinc/84/29/83/436842983.db2.gz UYVQUWXHIAJUBN-XJKSGUPXSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417136 436842986 /nfs/dbraw/zinc/84/29/86/436842986.db2.gz UYVQUWXHIAJUBN-XJKSGUPXSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@H]2CC[N@@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417136 436842988 /nfs/dbraw/zinc/84/29/88/436842988.db2.gz UYVQUWXHIAJUBN-XJKSGUPXSA-N 1 1 339.461 0.739 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417131 436844036 /nfs/dbraw/zinc/84/40/36/436844036.db2.gz UYVQUWXHIAJUBN-BBRMVZONSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@H]2CC[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417131 436844039 /nfs/dbraw/zinc/84/40/39/436844039.db2.gz UYVQUWXHIAJUBN-BBRMVZONSA-N 1 1 339.461 0.739 50 0 ECAAMO CN1CC[C@H]2CC[N@@H+](CCOc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000253417131 436844042 /nfs/dbraw/zinc/84/40/42/436844042.db2.gz UYVQUWXHIAJUBN-BBRMVZONSA-N 1 1 339.461 0.739 50 0 ECAAMO Cc1cc(N2CCC(NC(=O)N[C@@H](C(N)=O)C(C)C)CC2)nc(C)[nH+]1 ZINC000135370402 436914329 /nfs/dbraw/zinc/91/43/29/436914329.db2.gz HHAMOOATARNVFE-OAHLLOKOSA-N 1 1 348.451 0.871 50 0 ECAAMO O=C([C@H]1CSC[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000166494007 436938510 /nfs/dbraw/zinc/93/85/10/436938510.db2.gz IHXWQEKIYGPHMD-SNVBAGLBSA-N 1 1 331.392 0.585 50 0 ECAAMO Cn1cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c(=O)n(C)c1=O ZINC000170595393 436945713 /nfs/dbraw/zinc/94/57/13/436945713.db2.gz GRQGTJVMHBYRCL-UHFFFAOYSA-N 1 1 348.369 0.543 50 0 ECAAMO Cn1cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c(=O)n(C)c1=O ZINC000170595393 436945716 /nfs/dbraw/zinc/94/57/16/436945716.db2.gz GRQGTJVMHBYRCL-UHFFFAOYSA-N 1 1 348.369 0.543 50 0 ECAAMO COC(C)(C)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171605439 436982921 /nfs/dbraw/zinc/98/29/21/436982921.db2.gz NCCDLPNNXYXXHV-OAHLLOKOSA-N 1 1 327.469 0.665 50 0 ECAAMO CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000192211291 437672392 /nfs/dbraw/zinc/67/23/92/437672392.db2.gz NCRJEVOIBLGZPP-HNNXBMFYSA-N 1 1 334.420 0.404 50 0 ECAAMO Cc1n[nH]c(C)c1CCNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426376286 438053838 /nfs/dbraw/zinc/05/38/38/438053838.db2.gz FOSYJHBOAZNNPC-CYBMUJFWSA-N 1 1 346.435 0.223 50 0 ECAAMO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000408525475 438582598 /nfs/dbraw/zinc/58/25/98/438582598.db2.gz BLGWYXFFRPDWJE-STQMWFEESA-N 1 1 329.393 0.956 50 0 ECAAMO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000408525475 438582601 /nfs/dbraw/zinc/58/26/01/438582601.db2.gz BLGWYXFFRPDWJE-STQMWFEESA-N 1 1 329.393 0.956 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cn1 ZINC000457166623 438798629 /nfs/dbraw/zinc/79/86/29/438798629.db2.gz LCHNDEURXAFNSX-UHFFFAOYSA-N 1 1 340.449 0.594 50 0 ECAAMO CCn1cc(S(=O)(=O)NCC[NH+]2CCC(CO)CC2)c(C)n1 ZINC000534653340 439531758 /nfs/dbraw/zinc/53/17/58/439531758.db2.gz KIGMUZSFLVFBQQ-UHFFFAOYSA-N 1 1 330.454 0.194 50 0 ECAAMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)C1=O ZINC000585094359 439628168 /nfs/dbraw/zinc/62/81/68/439628168.db2.gz OHDAUGZAQJHJQC-MELADBBJSA-N 1 1 326.437 0.879 50 0 ECAAMO O=C(N1CCN(Cc2ccccc2)CC1)N1CC[NH+](CCCO)CC1 ZINC000585116190 439632818 /nfs/dbraw/zinc/63/28/18/439632818.db2.gz KHZOKGFYPQKVTG-UHFFFAOYSA-N 1 1 346.475 0.924 50 0 ECAAMO C[C@@H](CCNc1cc(C(=O)NC2CC2)ccn1)N1CC[NH+](C)CC1 ZINC000584893023 439624857 /nfs/dbraw/zinc/62/48/57/439624857.db2.gz DMLMVAILLFJMEH-AWEZNQCLSA-N 1 1 331.464 1.412 50 0 ECAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000222423780 545921900 /nfs/dbraw/zinc/92/19/00/545921900.db2.gz VLTZEGNBWCGWEQ-CQSZACIVSA-N 1 1 340.391 0.865 50 0 ECAAMO CN(C)C(=O)NCc1cc2n(n1)CCN(C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244659756 545934492 /nfs/dbraw/zinc/93/44/92/545934492.db2.gz HICYPVNWQMSVDZ-OKILXGFUSA-N 1 1 334.468 0.987 50 0 ECAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)N1CCC[C@@H]1COC ZINC000670438457 548010728 /nfs/dbraw/zinc/01/07/28/548010728.db2.gz TYCWRGVAHPTJGG-CYBMUJFWSA-N 1 1 330.454 0.781 50 0 ECAAMO CC(C)=CCNC(=O)[C@@]12C[N@H+](Cc3nnnn3C)C[C@@H]1COCC2 ZINC000685940385 549727035 /nfs/dbraw/zinc/72/70/35/549727035.db2.gz ICCOFXRFISFJME-CJNGLKHVSA-N 1 1 334.424 0.131 50 0 ECAAMO CC(C)=CCNC(=O)[C@@]12C[N@@H+](Cc3nnnn3C)C[C@@H]1COCC2 ZINC000685940385 549727038 /nfs/dbraw/zinc/72/70/38/549727038.db2.gz ICCOFXRFISFJME-CJNGLKHVSA-N 1 1 334.424 0.131 50 0 ECAAMO Cc1nnc2n1C[C@H](C[NH+](C)C)N(C(=O)c1ccc3cncn3c1)C2 ZINC000685943375 549729453 /nfs/dbraw/zinc/72/94/53/549729453.db2.gz VSUUTNNVGKPPFL-HNNXBMFYSA-N 1 1 339.403 0.820 50 0 ECAAMO CS(=O)(=O)CCC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000952962243 612138499 /nfs/dbraw/zinc/13/84/99/612138499.db2.gz BIMFDJSPKGTKJG-AWEZNQCLSA-N 1 1 332.466 0.525 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CCn2cccn2)C1 ZINC000952962172 612138660 /nfs/dbraw/zinc/13/86/60/612138660.db2.gz ABKGTMMRJQFFRP-HZPDHXFCSA-N 1 1 347.463 0.852 50 0 ECAAMO CN1CCC2(CC1)CN(C(=O)CCS(C)(=O)=O)CCC[N@H+]2C ZINC000952980020 612139782 /nfs/dbraw/zinc/13/97/82/612139782.db2.gz BYEXCCUJCGOAEW-UHFFFAOYSA-N 1 1 331.482 0.050 50 0 ECAAMO C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981796 612139838 /nfs/dbraw/zinc/13/98/38/612139838.db2.gz VFLVXBGGLGKEPA-HOCLYGCPSA-N 1 1 346.475 0.997 50 0 ECAAMO C[NH+](C)[C@H]1CCN(CC(=O)NCc2n[nH]c(-c3ccncc3)n2)C1 ZINC000299769744 742087463 /nfs/dbraw/zinc/08/74/63/742087463.db2.gz PRDFGLZPSHTTQN-ZDUSSCGKSA-N 1 1 329.408 0.119 50 0 ECAAMO C[C@]1(C(=O)NCCC[NH+]2CCOCC2)Oc2cccnc2NC1=O ZINC000020365729 202039501 /nfs/dbraw/zinc/03/95/01/202039501.db2.gz YLDQIQSPEOUFOO-MRXNPFEDSA-N 1 1 334.376 0.010 50 0 ECAAMO COc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000024539418 202117372 /nfs/dbraw/zinc/11/73/72/202117372.db2.gz OHCUWNVKFGDPHF-UHFFFAOYSA-N 1 1 341.433 0.235 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000069592457 202286474 /nfs/dbraw/zinc/28/64/74/202286474.db2.gz AKQPSHFVGUPNRV-KFWWJZLASA-N 1 1 343.493 0.743 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069652198 202289302 /nfs/dbraw/zinc/28/93/02/202289302.db2.gz SKGIDGUDMUADTK-AWEZNQCLSA-N 1 1 331.424 0.382 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCSC2)CC1 ZINC000366154212 201373738 /nfs/dbraw/zinc/37/37/38/201373738.db2.gz YWSKWBBYRJRIPR-KGLIPLIRSA-N 1 1 340.493 0.688 50 0 ECAAMO C[C@H]1C[NH+](CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 ZINC000022612003 212311490 /nfs/dbraw/zinc/31/14/90/212311490.db2.gz VNGLUPVOQRJPGH-STQMWFEESA-N 1 1 344.415 0.691 50 0 ECAAMO CNC(=O)c1[nH]nc2c1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000215769914 241142928 /nfs/dbraw/zinc/14/29/28/241142928.db2.gz JRRWGPCUARKKMF-UHFFFAOYSA-N 1 1 338.375 0.508 50 0 ECAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000215769914 241142934 /nfs/dbraw/zinc/14/29/34/241142934.db2.gz JRRWGPCUARKKMF-UHFFFAOYSA-N 1 1 338.375 0.508 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000216224926 241175324 /nfs/dbraw/zinc/17/53/24/241175324.db2.gz FSWDNEAHWHLPLP-CYBMUJFWSA-N 1 1 327.344 0.395 50 0 ECAAMO Cc1nn(C)c(C)c1C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000219290861 241375593 /nfs/dbraw/zinc/37/55/93/241375593.db2.gz OCRZCMHMMOURIA-UHFFFAOYSA-N 1 1 333.436 0.463 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(Br)cn1 ZINC000021265137 212217698 /nfs/dbraw/zinc/21/76/98/212217698.db2.gz DORJILPPMNAYGI-UHFFFAOYSA-N 1 1 343.225 0.393 50 0 ECAAMO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069652507 203031985 /nfs/dbraw/zinc/03/19/85/203031985.db2.gz NSXUXFURZUWNMU-HZPDHXFCSA-N 1 1 327.469 0.308 50 0 ECAAMO CCc1noc([C@@H](C)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069652146 203032519 /nfs/dbraw/zinc/03/25/19/203032519.db2.gz HDBUSEFPQQSVOG-KGLIPLIRSA-N 1 1 334.424 0.568 50 0 ECAAMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069657110 203033629 /nfs/dbraw/zinc/03/36/29/203033629.db2.gz ZEDMDILBIDKNGH-FUHWJXTLSA-N 1 1 347.459 0.585 50 0 ECAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000069871429 203058101 /nfs/dbraw/zinc/05/81/01/203058101.db2.gz RYPDSMQBCWUAKG-CYBMUJFWSA-N 1 1 344.415 0.230 50 0 ECAAMO C[C@H]1CN(c2ccc3nnnn3n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738267 203042092 /nfs/dbraw/zinc/04/20/92/203042092.db2.gz QNHOATLWDABEAR-ZFWWWQNUSA-N 1 1 339.403 0.763 50 0 ECAAMO C[C@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738896 203042854 /nfs/dbraw/zinc/04/28/54/203042854.db2.gz SFNAQUCZIJPDCQ-HOCLYGCPSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CCN1C[C@H](O)c1ccccc1 ZINC000069738896 203042859 /nfs/dbraw/zinc/04/28/59/203042859.db2.gz SFNAQUCZIJPDCQ-HOCLYGCPSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1C[C@H](O)c1ccccc1 ZINC000069738896 203042863 /nfs/dbraw/zinc/04/28/63/203042863.db2.gz SFNAQUCZIJPDCQ-HOCLYGCPSA-N 1 1 341.477 0.405 50 0 ECAAMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000069740689 203044839 /nfs/dbraw/zinc/04/48/39/203044839.db2.gz XCSWLPBMZIDXRG-LBPRGKRZSA-N 1 1 337.445 0.809 50 0 ECAAMO O[C@@H](Cn1cccn1)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069776646 203048261 /nfs/dbraw/zinc/04/82/61/203048261.db2.gz PFYGFCMSKQYITI-MSOLQXFVSA-N 1 1 330.432 0.595 50 0 ECAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000071422384 203094598 /nfs/dbraw/zinc/09/45/98/203094598.db2.gz IFAXBAIFOUHVKE-NSHDSACASA-N 1 1 329.422 0.381 50 0 ECAAMO CC[N@H+]1CCC[C@](C)(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)C1 ZINC000072131745 203166550 /nfs/dbraw/zinc/16/65/50/203166550.db2.gz YMGMGAPJMATCLI-SFHVURJKSA-N 1 1 347.463 0.843 50 0 ECAAMO CN(CCO)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072154916 203173960 /nfs/dbraw/zinc/17/39/60/203173960.db2.gz NZAPGSGPKILOIJ-INIZCTEOSA-N 1 1 333.432 0.260 50 0 ECAAMO CN(CCO)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072154916 203173964 /nfs/dbraw/zinc/17/39/64/203173964.db2.gz NZAPGSGPKILOIJ-INIZCTEOSA-N 1 1 333.432 0.260 50 0 ECAAMO Cc1cc(=O)n(CC(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)nc1C ZINC000072157762 203176689 /nfs/dbraw/zinc/17/66/89/203176689.db2.gz ZFAREJCFMIVLAK-MRXNPFEDSA-N 1 1 348.447 0.308 50 0 ECAAMO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072162878 203177884 /nfs/dbraw/zinc/17/78/84/203177884.db2.gz QZBSYVAHXZLFOL-AWEZNQCLSA-N 1 1 345.399 0.427 50 0 ECAAMO O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)c1ccccc1-c1nc[nH]n1 ZINC000072168405 203180604 /nfs/dbraw/zinc/18/06/04/203180604.db2.gz IBWHILAVHWJOBO-CQSZACIVSA-N 1 1 340.387 0.164 50 0 ECAAMO O=C(c1nc[nH]n1)N1CCC[C@]2(CO)C[N@@H+](C3CCOCC3)CC[C@@H]12 ZINC000072447404 203225938 /nfs/dbraw/zinc/22/59/38/203225938.db2.gz YZKLTZNBSBCJAU-RHSMWYFYSA-N 1 1 349.435 0.273 50 0 ECAAMO CC[C@@]1(O)CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C[C@H]1O ZINC000072469400 203229109 /nfs/dbraw/zinc/22/91/09/203229109.db2.gz WXDLSKFVWNLRNQ-RHSMWYFYSA-N 1 1 348.403 0.941 50 0 ECAAMO Cc1c(C[N@H+]2CCC[C@@](O)(CO)C2)c(=O)n(-c2ccccc2)n1C ZINC000072481104 203233450 /nfs/dbraw/zinc/23/34/50/203233450.db2.gz DGNXMTFXHFDZOE-SFHVURJKSA-N 1 1 331.416 0.804 50 0 ECAAMO Cc1ncc(CC(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000072412435 203217167 /nfs/dbraw/zinc/21/71/67/203217167.db2.gz CQCACANNJIGDKH-BETUJISGSA-N 1 1 348.447 0.721 50 0 ECAAMO CC(=O)NC[C@@H]1CC[N@H+](Cc2cnc(N3CCCCC3)nc2)C[C@H]1O ZINC000072423757 203220225 /nfs/dbraw/zinc/22/02/25/203220225.db2.gz LLJXJSHGDRWVRK-DLBZAZTESA-N 1 1 347.463 0.786 50 0 ECAAMO CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C[C@H]1O ZINC000072423757 203220227 /nfs/dbraw/zinc/22/02/27/203220227.db2.gz LLJXJSHGDRWVRK-DLBZAZTESA-N 1 1 347.463 0.786 50 0 ECAAMO Cc1csc(=O)n1CCC(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040490404 203254262 /nfs/dbraw/zinc/25/42/62/203254262.db2.gz CSUTYAMVWLMLPI-BETUJISGSA-N 1 1 327.450 0.834 50 0 ECAAMO Cc1csc(=O)n1CCC(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040490404 203254264 /nfs/dbraw/zinc/25/42/64/203254264.db2.gz CSUTYAMVWLMLPI-BETUJISGSA-N 1 1 327.450 0.834 50 0 ECAAMO O=C(CCCn1ccnc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091594196 203639654 /nfs/dbraw/zinc/63/96/54/203639654.db2.gz IBNNNTPYNHQSDG-HZPDHXFCSA-N 1 1 336.436 0.062 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000245852723 205160853 /nfs/dbraw/zinc/16/08/53/205160853.db2.gz MYRRENYJITZVKH-HOTGVXAUSA-N 1 1 333.436 0.684 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)C1 ZINC000245852723 205160858 /nfs/dbraw/zinc/16/08/58/205160858.db2.gz MYRRENYJITZVKH-HOTGVXAUSA-N 1 1 333.436 0.684 50 0 ECAAMO Nc1ccnc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000131755450 205301597 /nfs/dbraw/zinc/30/15/97/205301597.db2.gz OHOMJQNRQBOIIV-OAHLLOKOSA-N 1 1 341.415 0.966 50 0 ECAAMO Nc1ccnc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000131755450 205301602 /nfs/dbraw/zinc/30/16/02/205301602.db2.gz OHOMJQNRQBOIIV-OAHLLOKOSA-N 1 1 341.415 0.966 50 0 ECAAMO CCCC[C@H](NC(N)=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000229919184 206330873 /nfs/dbraw/zinc/33/08/73/206330873.db2.gz WFWZUBCOIMQDEI-KKUMJFAQSA-N 1 1 340.468 0.783 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000170616705 206588271 /nfs/dbraw/zinc/58/82/71/206588271.db2.gz SLHRFGQHMUGZPD-RRCSTGOVSA-N 1 1 334.416 0.690 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000170616705 206588277 /nfs/dbraw/zinc/58/82/77/206588277.db2.gz SLHRFGQHMUGZPD-RRCSTGOVSA-N 1 1 334.416 0.690 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268758013 252208696 /nfs/dbraw/zinc/20/86/96/252208696.db2.gz VMURLPWGVMYOEQ-KBPBESRZSA-N 1 1 330.388 0.365 50 0 ECAAMO O=C([O-])c1ccccc1C[N@@H+]1CCCNCC[NH2+]CCCNCC1 ZINC000068606300 304269255 /nfs/dbraw/zinc/26/92/55/304269255.db2.gz SBDRAAFDUHSEPE-UHFFFAOYSA-N 1 1 334.464 0.749 50 0 ECAAMO O=C([O-])c1ccccc1C[N@H+]1CCCNCC[NH2+]CCCNCC1 ZINC000068606300 304269256 /nfs/dbraw/zinc/26/92/56/304269256.db2.gz SBDRAAFDUHSEPE-UHFFFAOYSA-N 1 1 334.464 0.749 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCc1c[nH]cn1 ZINC000299784054 258091849 /nfs/dbraw/zinc/09/18/49/258091849.db2.gz NZYGSXVNUSXNFB-UHFFFAOYSA-N 1 1 329.408 0.232 50 0 ECAAMO OCCOc1cccc(C[N@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c1 ZINC000299798328 258102541 /nfs/dbraw/zinc/10/25/41/258102541.db2.gz QVXQNIFIDQQAHB-IAGOWNOFSA-N 1 1 344.415 0.895 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@@H]2C1 ZINC000285935460 264353405 /nfs/dbraw/zinc/35/34/05/264353405.db2.gz VIGQNLACHAXGID-CVEARBPZSA-N 1 1 342.399 0.328 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000095358293 277107731 /nfs/dbraw/zinc/10/77/31/277107731.db2.gz VLYFBMBCWRUMJK-RTBURBONSA-N 1 1 329.488 0.942 50 0 ECAAMO CN1CCN(C[C@@H]2C[N@H+](C3Cc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000095358293 277107734 /nfs/dbraw/zinc/10/77/34/277107734.db2.gz VLYFBMBCWRUMJK-RTBURBONSA-N 1 1 329.488 0.942 50 0 ECAAMO C[NH+]1CCN(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000009982900 277110001 /nfs/dbraw/zinc/11/00/01/277110001.db2.gz XCBSGZJEZWXYKU-UHFFFAOYSA-N 1 1 330.310 0.923 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069950774 278647319 /nfs/dbraw/zinc/64/73/19/278647319.db2.gz KYYYIXJUDKKQDO-CQSZACIVSA-N 1 1 337.464 0.693 50 0 ECAAMO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089570265 280396635 /nfs/dbraw/zinc/39/66/35/280396635.db2.gz XQHUBIKTSAQBOR-GFCCVEGCSA-N 1 1 325.434 0.727 50 0 ECAAMO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089570265 280396637 /nfs/dbraw/zinc/39/66/37/280396637.db2.gz XQHUBIKTSAQBOR-GFCCVEGCSA-N 1 1 325.434 0.727 50 0 ECAAMO CC[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C[C@@H](C)O ZINC000072279756 288288042 /nfs/dbraw/zinc/28/80/42/288288042.db2.gz BTGKTYVLBRGJTE-OLZOCXBDSA-N 1 1 326.441 0.094 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000002441935 435963192 /nfs/dbraw/zinc/96/31/92/435963192.db2.gz PTGBZICZWXQUGP-LLVKDONJSA-N 1 1 339.417 0.894 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1 ZINC000004498326 435981557 /nfs/dbraw/zinc/98/15/57/435981557.db2.gz ICVGMFPSXYEXFJ-UHFFFAOYSA-N 1 1 325.434 0.860 50 0 ECAAMO CCc1nn2c(nc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)cc2=O)s1 ZINC000069590057 435951068 /nfs/dbraw/zinc/95/10/68/435951068.db2.gz VCPFNIXOYKJYJZ-GFCCVEGCSA-N 1 1 345.432 0.970 50 0 ECAAMO CCc1nn2c(nc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cc2=O)s1 ZINC000069590057 435951072 /nfs/dbraw/zinc/95/10/72/435951072.db2.gz VCPFNIXOYKJYJZ-GFCCVEGCSA-N 1 1 345.432 0.970 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000069632884 435953707 /nfs/dbraw/zinc/95/37/07/435953707.db2.gz QLSQRDWVDMUKOE-AWEZNQCLSA-N 1 1 329.470 0.641 50 0 ECAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCO[C@H](Cn2cncn2)C1 ZINC000071877040 436022571 /nfs/dbraw/zinc/02/25/71/436022571.db2.gz XCYPVBFOZPMOOP-ROUUACIJSA-N 1 1 345.447 0.472 50 0 ECAAMO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)no1 ZINC000072253438 436036992 /nfs/dbraw/zinc/03/69/92/436036992.db2.gz LCTFGFZWNROWOR-CQSZACIVSA-N 1 1 348.407 0.921 50 0 ECAAMO Cc1cc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)no1 ZINC000072253438 436036996 /nfs/dbraw/zinc/03/69/96/436036996.db2.gz LCTFGFZWNROWOR-CQSZACIVSA-N 1 1 348.407 0.921 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010330240 436040336 /nfs/dbraw/zinc/04/03/36/436040336.db2.gz IMDCTXONYNQNIU-LLVKDONJSA-N 1 1 348.407 0.710 50 0 ECAAMO CCSc1ncc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)cn1 ZINC000019143411 436104315 /nfs/dbraw/zinc/10/43/15/436104315.db2.gz ZRRDYDAATSNKKA-HUUCEWRRSA-N 1 1 338.477 0.856 50 0 ECAAMO Cc1cc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)n2ncnc2n1 ZINC000012811984 436056426 /nfs/dbraw/zinc/05/64/26/436056426.db2.gz ILDMUIFBEZVNGC-UHFFFAOYSA-N 1 1 345.451 0.860 50 0 ECAAMO Cc1cc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)n2ncnc2n1 ZINC000012811984 436056435 /nfs/dbraw/zinc/05/64/35/436056435.db2.gz ILDMUIFBEZVNGC-UHFFFAOYSA-N 1 1 345.451 0.860 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2nsnc2c1 ZINC000013687927 436063996 /nfs/dbraw/zinc/06/39/96/436063996.db2.gz IKBSTBBCSCPDKP-UHFFFAOYSA-N 1 1 349.416 0.468 50 0 ECAAMO CC(C)C[N@H+]1CCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 ZINC000014539777 436073341 /nfs/dbraw/zinc/07/33/41/436073341.db2.gz CIMAWPPCLWEKTA-HZPDHXFCSA-N 1 1 331.416 0.602 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)CCOc2ccc(F)cc2)CC1 ZINC000025235929 436147688 /nfs/dbraw/zinc/14/76/88/436147688.db2.gz PFGBZVBQNZCKJT-UHFFFAOYSA-N 1 1 337.395 0.921 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000026480844 436164779 /nfs/dbraw/zinc/16/47/79/436164779.db2.gz CJHLJLFZUFRQJI-HNNXBMFYSA-N 1 1 347.415 0.847 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000026480844 436164784 /nfs/dbraw/zinc/16/47/84/436164784.db2.gz CJHLJLFZUFRQJI-HNNXBMFYSA-N 1 1 347.415 0.847 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000076058617 436188983 /nfs/dbraw/zinc/18/89/83/436188983.db2.gz QIQVNGYKTDDWFI-BXUZGUMPSA-N 1 1 325.434 0.712 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C)CC1 ZINC000076055129 436189465 /nfs/dbraw/zinc/18/94/65/436189465.db2.gz QXHMXSVUSJNYPY-RDJZCZTQSA-N 1 1 336.480 0.483 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCc3ccccc3C2)CC1 ZINC000028421459 436189778 /nfs/dbraw/zinc/18/97/78/436189778.db2.gz HUPRVWIFAFZSQC-UHFFFAOYSA-N 1 1 330.432 0.965 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](Cc1cccc(OCC(N)=O)c1)CC2 ZINC000076064495 436193080 /nfs/dbraw/zinc/19/30/80/436193080.db2.gz KAWKJKYPONHXIA-UHFFFAOYSA-N 1 1 342.399 0.686 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754435 436242510 /nfs/dbraw/zinc/24/25/10/436242510.db2.gz SRBAWYOYIOHEKP-LLVKDONJSA-N 1 1 341.433 0.929 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032754435 436242514 /nfs/dbraw/zinc/24/25/14/436242514.db2.gz SRBAWYOYIOHEKP-LLVKDONJSA-N 1 1 341.433 0.929 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c(=O)[nH]c1=O ZINC000040489806 436265072 /nfs/dbraw/zinc/26/50/72/436265072.db2.gz ZKQNDWMGMMVAMV-ZDUSSCGKSA-N 1 1 342.399 0.941 50 0 ECAAMO CCn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(=O)[nH]c1=O ZINC000040489806 436265074 /nfs/dbraw/zinc/26/50/74/436265074.db2.gz ZKQNDWMGMMVAMV-ZDUSSCGKSA-N 1 1 342.399 0.941 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(Cc3nnnn3C3CC3)C[C@@H]2C)CC1 ZINC000078896228 436282175 /nfs/dbraw/zinc/28/21/75/436282175.db2.gz CMVKBNDQXVJWKZ-BBRMVZONSA-N 1 1 347.467 0.383 50 0 ECAAMO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCOCC1 ZINC000044896164 436351883 /nfs/dbraw/zinc/35/18/83/436351883.db2.gz SDDNWIOWWOXQEK-AWEZNQCLSA-N 1 1 343.449 0.973 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@H](C)N2CC[NH+](CCO)CC2)c1 ZINC000042287336 436300149 /nfs/dbraw/zinc/30/01/49/436300149.db2.gz CFEYLXNWNBYDRZ-INIZCTEOSA-N 1 1 335.448 0.488 50 0 ECAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cn(C)nc1C)C2 ZINC000082099794 436361036 /nfs/dbraw/zinc/36/10/36/436361036.db2.gz RUXVVXGVGAULME-UHFFFAOYSA-N 1 1 346.435 0.594 50 0 ECAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000082099794 436361038 /nfs/dbraw/zinc/36/10/38/436361038.db2.gz RUXVVXGVGAULME-UHFFFAOYSA-N 1 1 346.435 0.594 50 0 ECAAMO COCC[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1 ZINC000082096847 436361095 /nfs/dbraw/zinc/36/10/95/436361095.db2.gz WUKAPIKJXZBRLA-UHFFFAOYSA-N 1 1 335.404 0.449 50 0 ECAAMO COCC[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1 ZINC000082096847 436361096 /nfs/dbraw/zinc/36/10/96/436361096.db2.gz WUKAPIKJXZBRLA-UHFFFAOYSA-N 1 1 335.404 0.449 50 0 ECAAMO CN(Cc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000045402377 436366379 /nfs/dbraw/zinc/36/63/79/436366379.db2.gz FRFGAPITUIEQNH-UHFFFAOYSA-N 1 1 348.403 0.506 50 0 ECAAMO CC(C)N1C(=O)N[C@]2(CC[N@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000084597308 436381995 /nfs/dbraw/zinc/38/19/95/436381995.db2.gz KYIMBMCJNNITBO-KRWDZBQOSA-N 1 1 336.436 0.794 50 0 ECAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000084597308 436381998 /nfs/dbraw/zinc/38/19/98/436381998.db2.gz KYIMBMCJNNITBO-KRWDZBQOSA-N 1 1 336.436 0.794 50 0 ECAAMO CC[N@H+]1CCC[C@@](O)(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000046087861 436386282 /nfs/dbraw/zinc/38/62/82/436386282.db2.gz YGURYQVPHZCFHK-RDJZCZTQSA-N 1 1 325.453 0.156 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000046448647 436394898 /nfs/dbraw/zinc/39/48/98/436394898.db2.gz NRVQBQMJIDGXLH-UHFFFAOYSA-N 1 1 347.415 0.327 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000046961676 436405008 /nfs/dbraw/zinc/40/50/08/436405008.db2.gz SXRNQHRUZVJPPY-AWEZNQCLSA-N 1 1 345.509 0.896 50 0 ECAAMO CN(C)c1cc(C(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)ccn1 ZINC000047852516 436431084 /nfs/dbraw/zinc/43/10/84/436431084.db2.gz YFQPDAQHPBXNKK-JKSUJKDBSA-N 1 1 348.447 0.615 50 0 ECAAMO Cc1ccccc1CN1CCN(C(=O)C[N@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000048041503 436438755 /nfs/dbraw/zinc/43/87/55/436438755.db2.gz WMDGTGIEHMPBMX-KRWDZBQOSA-N 1 1 344.459 0.446 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000048285839 436447411 /nfs/dbraw/zinc/44/74/11/436447411.db2.gz AXAXKQDSXVHGJL-UHFFFAOYSA-N 1 1 330.310 0.780 50 0 ECAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1C(=O)CNC1=O ZINC000091494210 436452128 /nfs/dbraw/zinc/45/21/28/436452128.db2.gz WMLVBBPHXGOXOX-HNNXBMFYSA-N 1 1 344.415 0.519 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccns3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091548774 436452391 /nfs/dbraw/zinc/45/23/91/436452391.db2.gz LZJMVYMJSDBDHA-XJFOESAGSA-N 1 1 339.461 0.933 50 0 ECAAMO COCc1cc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)ncn1 ZINC000091595607 436454492 /nfs/dbraw/zinc/45/44/92/436454492.db2.gz JCENJCPLJDEAQL-HZPDHXFCSA-N 1 1 349.479 0.305 50 0 ECAAMO COCc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)ncn1 ZINC000091595607 436454493 /nfs/dbraw/zinc/45/44/93/436454493.db2.gz JCENJCPLJDEAQL-HZPDHXFCSA-N 1 1 349.479 0.305 50 0 ECAAMO COCc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)ncn1 ZINC000091595607 436454497 /nfs/dbraw/zinc/45/44/97/436454497.db2.gz JCENJCPLJDEAQL-HZPDHXFCSA-N 1 1 349.479 0.305 50 0 ECAAMO Cc1ncsc1CCC(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091626164 436455643 /nfs/dbraw/zinc/45/56/43/436455643.db2.gz KIXGTKJVPHHPNI-ZIAGYGMSSA-N 1 1 341.477 0.375 50 0 ECAAMO Cc1nc(CC2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)no1 ZINC000091643656 436457344 /nfs/dbraw/zinc/45/73/44/436457344.db2.gz QCMCJAMPGKHKMG-AWEZNQCLSA-N 1 1 349.435 0.356 50 0 ECAAMO CCC[C@H]1C[N@@H+](CCC(=O)NC)C[C@@H]1NC(=O)c1cc(CC)n[nH]1 ZINC000091829197 436460292 /nfs/dbraw/zinc/46/02/92/436460292.db2.gz ORWPRHHCDPLWLS-WFASDCNBSA-N 1 1 335.452 0.939 50 0 ECAAMO CCCOCC(=O)N1CC[C@@]2(O)CC[N@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC000091872940 436462591 /nfs/dbraw/zinc/46/25/91/436462591.db2.gz AMTGUKLALOWARW-YOEHRIQHSA-N 1 1 336.436 0.622 50 0 ECAAMO CCCOCC(=O)N1CC[C@@]2(O)CC[N@@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC000091872940 436462595 /nfs/dbraw/zinc/46/25/95/436462595.db2.gz AMTGUKLALOWARW-YOEHRIQHSA-N 1 1 336.436 0.622 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)ccc1=O ZINC000091859542 436462881 /nfs/dbraw/zinc/46/28/81/436462881.db2.gz WWMMDZVMNZIJEQ-GOSISDBHSA-N 1 1 346.431 0.154 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@@H]1CO ZINC000091951187 436464230 /nfs/dbraw/zinc/46/42/30/436464230.db2.gz BVOBUNXXZZBWOP-HZPDHXFCSA-N 1 1 335.448 0.566 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@@H]1CO ZINC000091951187 436464232 /nfs/dbraw/zinc/46/42/32/436464232.db2.gz BVOBUNXXZZBWOP-HZPDHXFCSA-N 1 1 335.448 0.566 50 0 ECAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834795 436418271 /nfs/dbraw/zinc/41/82/71/436418271.db2.gz XDJZNWRCXVDQJU-NVXWUHKLSA-N 1 1 343.427 0.767 50 0 ECAAMO CCOC(=O)C(C(=O)OCC)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000089978056 436426572 /nfs/dbraw/zinc/42/65/72/436426572.db2.gz GHYDYIFLGUOHCF-ZDUSSCGKSA-N 1 1 342.436 0.666 50 0 ECAAMO NC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000052961961 436520956 /nfs/dbraw/zinc/52/09/56/436520956.db2.gz LFKHKLAPOWFWFY-DZGCQCFKSA-N 1 1 335.379 0.533 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCCc2cn[nH]c2)C[C@@]12CCNC(=O)CC2 ZINC000095377819 436491810 /nfs/dbraw/zinc/49/18/10/436491810.db2.gz ALEBWSWLKRZDET-QGZVFWFLSA-N 1 1 333.436 0.545 50 0 ECAAMO CN(C)c1cc[nH+]c(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 ZINC000095428489 436494328 /nfs/dbraw/zinc/49/43/28/436494328.db2.gz WEEYNSIRSIEPOK-UHFFFAOYSA-N 1 1 326.404 0.968 50 0 ECAAMO CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccoc1 ZINC000095430632 436494896 /nfs/dbraw/zinc/49/48/96/436494896.db2.gz RMZMJIRKEZTECT-UHFFFAOYSA-N 1 1 331.376 0.549 50 0 ECAAMO COCCc1noc(Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)n1 ZINC000095521837 436497458 /nfs/dbraw/zinc/49/74/58/436497458.db2.gz JYAAPUKBNIPGMH-UHFFFAOYSA-N 1 1 348.407 0.005 50 0 ECAAMO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000053639759 436537498 /nfs/dbraw/zinc/53/74/98/436537498.db2.gz XHNRZHKDCHEDAY-RISCZKNCSA-N 1 1 349.435 0.670 50 0 ECAAMO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055109295 436566469 /nfs/dbraw/zinc/56/64/69/436566469.db2.gz SAZPZXJCKSCTKO-LBPRGKRZSA-N 1 1 335.452 0.863 50 0 ECAAMO CCOc1ccccc1CCNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055182871 436568554 /nfs/dbraw/zinc/56/85/54/436568554.db2.gz NOTKPMJBVHSDCD-OAHLLOKOSA-N 1 1 333.432 0.941 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ncnc2nc[nH]c21 ZINC000058380503 436625068 /nfs/dbraw/zinc/62/50/68/436625068.db2.gz KARBFBSXMDYEGW-NWDGAFQWSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ncnc2[nH]cnc21 ZINC000058380503 436625071 /nfs/dbraw/zinc/62/50/71/436625071.db2.gz KARBFBSXMDYEGW-NWDGAFQWSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ncnc2[nH]cnc21 ZINC000058380503 436625073 /nfs/dbraw/zinc/62/50/73/436625073.db2.gz KARBFBSXMDYEGW-NWDGAFQWSA-N 1 1 329.408 0.532 50 0 ECAAMO C[C@H](CNC(=O)c1cnc2ccccn2c1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106056224 436590199 /nfs/dbraw/zinc/59/01/99/436590199.db2.gz ASAWCTMFNTZUEM-MGPQQGTHSA-N 1 1 344.415 0.922 50 0 ECAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000106169437 436590475 /nfs/dbraw/zinc/59/04/75/436590475.db2.gz TVASSDOLROEYPO-YNEHKIRRSA-N 1 1 326.441 0.847 50 0 ECAAMO Cc1nn2c(nc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cc2=O)s1 ZINC000106906601 436605720 /nfs/dbraw/zinc/60/57/20/436605720.db2.gz TUEKHKJPUIHSSN-WDEREUQCSA-N 1 1 337.449 0.346 50 0 ECAAMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000057921829 436618902 /nfs/dbraw/zinc/61/89/02/436618902.db2.gz IZRQCGIFUHXIIG-NEPJUHHUSA-N 1 1 342.440 0.213 50 0 ECAAMO Cn1ncc2c3ccccc3n(CC(=O)N3CC[NH+](C)CC3)c2c1=O ZINC000064775820 436650600 /nfs/dbraw/zinc/65/06/00/436650600.db2.gz XJOPZWVYOUAMLH-UHFFFAOYSA-N 1 1 339.399 0.662 50 0 ECAAMO Cc1nc(-c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CN(C)C4)cc2)no1 ZINC000065365957 436655228 /nfs/dbraw/zinc/65/52/28/436655228.db2.gz PMMBQWGGZXRIGI-CRAIPNDOSA-N 1 1 341.415 0.812 50 0 ECAAMO C[C@H]1CCCC[N@H+]1C1CN(c2cc(N3CCOCC3)nc(N)n2)C1 ZINC000065403485 436657528 /nfs/dbraw/zinc/65/75/28/436657528.db2.gz VEZJEIAGENHBSB-ZDUSSCGKSA-N 1 1 332.452 0.958 50 0 ECAAMO NC(=O)c1ccc(-c2nc3c([nH]2)C[N@H+](CCOCCO)CC3)cc1 ZINC000219888372 436696907 /nfs/dbraw/zinc/69/69/07/436696907.db2.gz OZXKBLAUWOMNKF-UHFFFAOYSA-N 1 1 330.388 0.543 50 0 ECAAMO NC(=O)c1ccc(-c2nc3c([nH]2)C[N@@H+](CCOCCO)CC3)cc1 ZINC000219888372 436696910 /nfs/dbraw/zinc/69/69/10/436696910.db2.gz OZXKBLAUWOMNKF-UHFFFAOYSA-N 1 1 330.388 0.543 50 0 ECAAMO COCCN1C[C@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000220324829 436699463 /nfs/dbraw/zinc/69/94/63/436699463.db2.gz YCYSGWFSSFRNAW-HNNXBMFYSA-N 1 1 345.443 0.656 50 0 ECAAMO COCCN1C[C@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)CC1=O ZINC000220324829 436699467 /nfs/dbraw/zinc/69/94/67/436699467.db2.gz YCYSGWFSSFRNAW-HNNXBMFYSA-N 1 1 345.443 0.656 50 0 ECAAMO COCCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000225509554 436711526 /nfs/dbraw/zinc/71/15/26/436711526.db2.gz SGBKCTKBPUGAPF-INIZCTEOSA-N 1 1 342.484 0.317 50 0 ECAAMO NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000194419165 436666343 /nfs/dbraw/zinc/66/63/43/436666343.db2.gz SDXCQFMXYPZBJQ-HOTGVXAUSA-N 1 1 346.431 0.404 50 0 ECAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@H]2CCCNC2=O)[nH]n1 ZINC000067714461 436721151 /nfs/dbraw/zinc/72/11/51/436721151.db2.gz IBEZJXBOHPPRPN-LBPRGKRZSA-N 1 1 330.392 0.786 50 0 ECAAMO CS(=O)(=O)NC[C@H]1CC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000067743433 436722665 /nfs/dbraw/zinc/72/26/65/436722665.db2.gz TYFUNXRYEPSHBW-GFCCVEGCSA-N 1 1 339.417 0.466 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(C(=O)NC)c2)C1 ZINC000067956005 436728751 /nfs/dbraw/zinc/72/87/51/436728751.db2.gz SIXIUVWJNMQCKA-LBPRGKRZSA-N 1 1 325.434 0.666 50 0 ECAAMO COCCN1CCC[C@](O)(C[N@H+]2CCOc3ccccc3C2)C1=O ZINC000067920067 436729182 /nfs/dbraw/zinc/72/91/82/436729182.db2.gz HBZPSOFZCLHKBY-SFHVURJKSA-N 1 1 334.416 0.881 50 0 ECAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2OCCO3)C1 ZINC000069275501 436768336 /nfs/dbraw/zinc/76/83/36/436768336.db2.gz ZIGZVIVQUXXXNR-GFCCVEGCSA-N 1 1 333.388 0.995 50 0 ECAAMO O=C(NCCn1ccnc1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000069326408 436768656 /nfs/dbraw/zinc/76/86/56/436768656.db2.gz QBJTTWZXJHNTBU-KRWDZBQOSA-N 1 1 343.431 0.602 50 0 ECAAMO CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000069571146 436780504 /nfs/dbraw/zinc/78/05/04/436780504.db2.gz GIFNBKWTLCILKA-AWEZNQCLSA-N 1 1 333.436 0.784 50 0 ECAAMO COC(=O)[C@H](CN1C[C@@H](C)O[C@H](C)C1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247830864 436797124 /nfs/dbraw/zinc/79/71/24/436797124.db2.gz LEXVGNFFEWQWQU-DGXTUMSLSA-N 1 1 328.453 0.994 50 0 ECAAMO COC(=O)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247830864 436797126 /nfs/dbraw/zinc/79/71/26/436797126.db2.gz LEXVGNFFEWQWQU-DGXTUMSLSA-N 1 1 328.453 0.994 50 0 ECAAMO Cc1cc(N2CCC([N@H+](C)CC(=O)NC(C)C)CC2)nc(CO)n1 ZINC000253417851 436844476 /nfs/dbraw/zinc/84/44/76/436844476.db2.gz OMLQUMSOUXFKJO-UHFFFAOYSA-N 1 1 335.452 0.703 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000257177010 436856931 /nfs/dbraw/zinc/85/69/31/436856931.db2.gz VMTCRSZZOLWZQY-CVEARBPZSA-N 1 1 335.448 0.788 50 0 ECAAMO Cc1noc([C@@]23C[N@@H+](CC(C)C)C[C@@H]2CCN(C(=O)CCO)C3)n1 ZINC000257192590 436860114 /nfs/dbraw/zinc/86/01/14/436860114.db2.gz VENRVRMNCUTNFN-WMLDXEAASA-N 1 1 336.436 0.818 50 0 ECAAMO CC(=O)N1CCOC[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000252477472 436832069 /nfs/dbraw/zinc/83/20/69/436832069.db2.gz OLKHHBFVWJNUNF-GOEBONIOSA-N 1 1 325.453 0.862 50 0 ECAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000252489166 436833174 /nfs/dbraw/zinc/83/31/74/436833174.db2.gz JIPHVANFSNTNBE-CQSZACIVSA-N 1 1 346.387 0.489 50 0 ECAAMO C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000252513381 436836186 /nfs/dbraw/zinc/83/61/86/436836186.db2.gz ZJBHCBQLIZHLEX-HZPDHXFCSA-N 1 1 331.416 0.624 50 0 ECAAMO CC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000257365088 436876585 /nfs/dbraw/zinc/87/65/85/436876585.db2.gz RFUVTMZOXQQDNN-YUELXQCFSA-N 1 1 329.466 0.496 50 0 ECAAMO CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1CCC(=O)NC(N)=O ZINC000295678712 436975930 /nfs/dbraw/zinc/97/59/30/436975930.db2.gz KCFPKNYXSWAGCV-UHFFFAOYSA-N 1 1 332.404 0.694 50 0 ECAAMO CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1CCC(=O)NC(N)=O ZINC000295678712 436975938 /nfs/dbraw/zinc/97/59/38/436975938.db2.gz KCFPKNYXSWAGCV-UHFFFAOYSA-N 1 1 332.404 0.694 50 0 ECAAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ncc(S(N)(=O)=O)s1 ZINC000170615804 436948344 /nfs/dbraw/zinc/94/83/44/436948344.db2.gz KFGRSAZMAKQSEO-SNVBAGLBSA-N 1 1 327.435 0.964 50 0 ECAAMO NC(=O)COc1cccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299770017 437109814 /nfs/dbraw/zinc/10/98/14/437109814.db2.gz KVROKMKYMGSMOM-HOTGVXAUSA-N 1 1 343.387 0.488 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3COCCN3CC)CC2)cn1 ZINC000328969759 437295223 /nfs/dbraw/zinc/29/52/23/437295223.db2.gz AXAKYMHBQNDJBZ-KRWDZBQOSA-N 1 1 349.479 0.658 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3COCCN3CC)CC2)cn1 ZINC000328969759 437295227 /nfs/dbraw/zinc/29/52/27/437295227.db2.gz AXAKYMHBQNDJBZ-KRWDZBQOSA-N 1 1 349.479 0.658 50 0 ECAAMO Cn1cnn(CC(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1=O ZINC000182655595 437357796 /nfs/dbraw/zinc/35/77/96/437357796.db2.gz DDUVFNOPRMALCA-CQSZACIVSA-N 1 1 327.388 0.593 50 0 ECAAMO COC(=O)c1cn(C2CC[NH+](Cc3c(C)nn(C)c3OC)CC2)nn1 ZINC000184760347 437410947 /nfs/dbraw/zinc/41/09/47/437410947.db2.gz ZMINMWQXOSKLCT-UHFFFAOYSA-N 1 1 348.407 0.952 50 0 ECAAMO Cc1cc(N2CC[NH+](CCN3CCOC[C@@H]3C)CC2)n2ncnc2n1 ZINC000192711302 437689838 /nfs/dbraw/zinc/68/98/38/437689838.db2.gz PJOZFOGSNZLUTJ-HNNXBMFYSA-N 1 1 345.451 0.275 50 0 ECAAMO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426435020 438060485 /nfs/dbraw/zinc/06/04/85/438060485.db2.gz UZHAECAWKZOLOV-VXGBXAGGSA-N 1 1 325.434 0.310 50 0 ECAAMO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426435020 438060488 /nfs/dbraw/zinc/06/04/88/438060488.db2.gz UZHAECAWKZOLOV-VXGBXAGGSA-N 1 1 325.434 0.310 50 0 ECAAMO [NH3+]CCOc1ccc(CC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1 ZINC000426477223 438060983 /nfs/dbraw/zinc/06/09/83/438060983.db2.gz MTLNPWXWGITIIH-ROUUACIJSA-N 1 1 347.459 0.936 50 0 ECAAMO CN(CC1(CO)CCC1)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426496614 438061597 /nfs/dbraw/zinc/06/15/97/438061597.db2.gz BSVHFSHOHJIOPU-ZDUSSCGKSA-N 1 1 336.436 0.984 50 0 ECAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2ccc(-c3cnc(N)nc3)cc2)C1 ZINC000426522930 438062211 /nfs/dbraw/zinc/06/22/11/438062211.db2.gz PCGPRMDZDNOORJ-CYBMUJFWSA-N 1 1 341.415 1.034 50 0 ECAAMO Cc1noc(CN(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000426536578 438065126 /nfs/dbraw/zinc/06/51/26/438065126.db2.gz XKUJAKRTSVDBRG-LBPRGKRZSA-N 1 1 338.412 0.107 50 0 ECAAMO O=C(Cn1cnc2ccccc21)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426534477 438066310 /nfs/dbraw/zinc/06/63/10/438066310.db2.gz PJIQQBGETVRKAR-IRXDYDNUSA-N 1 1 344.415 0.330 50 0 ECAAMO O=C(Cn1cnc2ccccc21)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426534477 438066315 /nfs/dbraw/zinc/06/63/15/438066315.db2.gz PJIQQBGETVRKAR-IRXDYDNUSA-N 1 1 344.415 0.330 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC000426689012 438070182 /nfs/dbraw/zinc/07/01/82/438070182.db2.gz ALGRRRMMVVFKPV-UKRRQHHQSA-N 1 1 333.392 0.390 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC000426689012 438070193 /nfs/dbraw/zinc/07/01/93/438070193.db2.gz ALGRRRMMVVFKPV-UKRRQHHQSA-N 1 1 333.392 0.390 50 0 ECAAMO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(S(N)(=O)=O)CC2)C1=O ZINC000408231965 438539634 /nfs/dbraw/zinc/53/96/34/438539634.db2.gz KUZQNQXEFWBJPK-CYBMUJFWSA-N 1 1 331.482 0.776 50 0 ECAAMO C[NH+]1CCN(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)CC1 ZINC000575605301 438750356 /nfs/dbraw/zinc/75/03/56/438750356.db2.gz IZNJOHVQGKFCFR-LBPRGKRZSA-N 1 1 325.800 0.951 50 0 ECAAMO CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)N3CC[NH+](C)CC3)C2)n1C ZINC000244873320 536064506 /nfs/dbraw/zinc/06/45/06/536064506.db2.gz WOBVBQHMEZIULC-JOCQHMNTSA-N 1 1 335.456 0.080 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000084714462 545712586 /nfs/dbraw/zinc/71/25/86/545712586.db2.gz OFLDLVBBGMBCMN-QAPCUYQASA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000084714462 545712589 /nfs/dbraw/zinc/71/25/89/545712589.db2.gz OFLDLVBBGMBCMN-QAPCUYQASA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000084714462 545712593 /nfs/dbraw/zinc/71/25/93/545712593.db2.gz OFLDLVBBGMBCMN-QAPCUYQASA-N 1 1 333.480 0.837 50 0 ECAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000084689507 545712844 /nfs/dbraw/zinc/71/28/44/545712844.db2.gz SQUKLPYDWAQWAZ-GASCZTMLSA-N 1 1 349.479 0.612 50 0 ECAAMO NC(=O)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H](O)C2)cc1 ZINC000097425126 545730563 /nfs/dbraw/zinc/73/05/63/545730563.db2.gz GWWOQTCQCVAQNW-QGZVFWFLSA-N 1 1 333.432 0.443 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)COCc2nc3cc(F)ccc3[nH]2)C[C@H]1CO ZINC000067855112 608915195 /nfs/dbraw/zinc/91/51/95/608915195.db2.gz CAGNTNLCMSBXRI-NEPJUHHUSA-N 1 1 336.367 0.400 50 0 ECAAMO C[N@@H+]1C[C@H](NC(=O)COCc2nc3ccc(F)cc3[nH]2)C[C@H]1CO ZINC000067855112 608915196 /nfs/dbraw/zinc/91/51/96/608915196.db2.gz CAGNTNLCMSBXRI-NEPJUHHUSA-N 1 1 336.367 0.400 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)COCc2nc3ccc(F)cc3[nH]2)C[C@H]1CO ZINC000067855112 608915197 /nfs/dbraw/zinc/91/51/97/608915197.db2.gz CAGNTNLCMSBXRI-NEPJUHHUSA-N 1 1 336.367 0.400 50 0 ECAAMO C[C@H](CNC(=O)c1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000183196800 610309900 /nfs/dbraw/zinc/30/99/00/610309900.db2.gz DPWNHJBVLGICQD-CQSZACIVSA-N 1 1 329.404 0.965 50 0 ECAAMO C[C@H](CNC(=O)c1cnc2c(c1)ncn2C)CN1CC[NH+](C)CC1 ZINC000183663371 610600700 /nfs/dbraw/zinc/60/07/00/610600700.db2.gz WNSPRJDUYUVRMS-CYBMUJFWSA-N 1 1 330.436 0.582 50 0 ECAAMO Cc1[nH][nH]c(=O)c1CC(=O)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000299762079 750780088 /nfs/dbraw/zinc/78/00/88/750780088.db2.gz RFQIBQQQSMJFTG-CYBMUJFWSA-N 1 1 336.436 0.249 50 0 ECAAMO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCS(C)(=O)=O ZINC000426683992 753951309 /nfs/dbraw/zinc/95/13/09/753951309.db2.gz WWYRBKHEPHJBGE-UHFFFAOYSA-N 1 1 333.479 0.866 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000019527838 202010297 /nfs/dbraw/zinc/01/02/97/202010297.db2.gz HQJNUTDFMIVAQL-UHFFFAOYSA-N 1 1 343.424 0.756 50 0 ECAAMO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000020556332 202049454 /nfs/dbraw/zinc/04/94/54/202049454.db2.gz IAMOCNAHFBZEIW-UHFFFAOYSA-N 1 1 341.433 0.138 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000022938056 202094797 /nfs/dbraw/zinc/09/47/97/202094797.db2.gz PICQTYWFJZKEMW-MRXNPFEDSA-N 1 1 332.448 0.927 50 0 ECAAMO Cc1cc(NC(=O)[C@H](C)N2CCC[N@H+](CC(=O)N(C)C)CC2)no1 ZINC000024677965 202118904 /nfs/dbraw/zinc/11/89/04/202118904.db2.gz XDESSLVDPGTGPZ-ZDUSSCGKSA-N 1 1 337.424 0.406 50 0 ECAAMO Cc1cc(NC(=O)[C@H](C)N2CCC[N@@H+](CC(=O)N(C)C)CC2)no1 ZINC000024677965 202118910 /nfs/dbraw/zinc/11/89/10/202118910.db2.gz XDESSLVDPGTGPZ-ZDUSSCGKSA-N 1 1 337.424 0.406 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000069628489 202288884 /nfs/dbraw/zinc/28/88/84/202288884.db2.gz FTLHGAJVIWBVAJ-VVLHAWIVSA-N 1 1 337.468 0.460 50 0 ECAAMO CCN1CCN(C2CC[NH+](CC(=O)NCCCOC)CC2)C1=O ZINC000069702158 202291700 /nfs/dbraw/zinc/29/17/00/202291700.db2.gz ILKADDYVURRADL-UHFFFAOYSA-N 1 1 326.441 0.361 50 0 ECAAMO COCCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071859746 202354853 /nfs/dbraw/zinc/35/48/53/202354853.db2.gz QLJSGGSQWRKXTR-LSDHHAIUSA-N 1 1 335.452 0.918 50 0 ECAAMO Cc1ccc(N2CCC[C@H]([N@@H+](C)CC(=O)NC3CCOCC3)C2)nn1 ZINC000071859828 202355234 /nfs/dbraw/zinc/35/52/34/202355234.db2.gz LEJZNOSFWQHPKJ-INIZCTEOSA-N 1 1 347.463 0.981 50 0 ECAAMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229526564 201042427 /nfs/dbraw/zinc/04/24/27/201042427.db2.gz BICLYRNMTIWSHB-GXTWGEPZSA-N 1 1 349.431 0.858 50 0 ECAAMO CCN(C[C@@H]1CCOC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229601165 201044290 /nfs/dbraw/zinc/04/42/90/201044290.db2.gz JHEKMXOICWAFTL-LSDHHAIUSA-N 1 1 340.468 0.642 50 0 ECAAMO C[C@@H]1C[NH+](C[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)C[C@@H](C)O1 ZINC000097200407 201382560 /nfs/dbraw/zinc/38/25/60/201382560.db2.gz NSACEAVOLYUGBM-RBSFLKMASA-N 1 1 349.479 0.371 50 0 ECAAMO Cn1nnc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000215749930 241143420 /nfs/dbraw/zinc/14/34/20/241143420.db2.gz NZGSFOOOTOQHKT-OAHLLOKOSA-N 1 1 344.419 0.454 50 0 ECAAMO CN1CCC[N@@H+](C)CC12CCN(C(=O)c1[nH]nc(N)c1Cl)CC2 ZINC000216217801 241174848 /nfs/dbraw/zinc/17/48/48/241174848.db2.gz UJSFZVXWFOYIPL-UHFFFAOYSA-N 1 1 340.859 0.887 50 0 ECAAMO CN1CCC[N@H+](C)C2(CCN(C(=O)c3[nH]nc(N)c3Cl)CC2)C1 ZINC000216217801 241174852 /nfs/dbraw/zinc/17/48/52/241174852.db2.gz UJSFZVXWFOYIPL-UHFFFAOYSA-N 1 1 340.859 0.887 50 0 ECAAMO CN1CCC[N@@H+](C)C2(CCN(C(=O)c3[nH]nc(N)c3Cl)CC2)C1 ZINC000216217801 241174858 /nfs/dbraw/zinc/17/48/58/241174858.db2.gz UJSFZVXWFOYIPL-UHFFFAOYSA-N 1 1 340.859 0.887 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1nc(-c2ccccn2)no1 ZINC000215667331 241137092 /nfs/dbraw/zinc/13/70/92/241137092.db2.gz IURUHFPHONLEJP-LBPRGKRZSA-N 1 1 331.376 0.247 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCc1nc(-c2ccccn2)no1 ZINC000215667331 241137098 /nfs/dbraw/zinc/13/70/98/241137098.db2.gz IURUHFPHONLEJP-LBPRGKRZSA-N 1 1 331.376 0.247 50 0 ECAAMO Cc1[nH+]cn(CC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1C ZINC000219418477 241384123 /nfs/dbraw/zinc/38/41/23/241384123.db2.gz WMQVZJZJNIIIEZ-UHFFFAOYSA-N 1 1 333.392 0.385 50 0 ECAAMO O=C(CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1)NCc1cccs1 ZINC000244659735 243049141 /nfs/dbraw/zinc/04/91/41/243049141.db2.gz HHXYJABRXVQSDD-GJZGRUSLSA-N 1 1 339.461 0.132 50 0 ECAAMO C[C@@H](C(=O)Nc1ccccn1)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000244811748 243086533 /nfs/dbraw/zinc/08/65/33/243086533.db2.gz SKLHZTCATRGQHI-LBPRGKRZSA-N 1 1 345.403 0.767 50 0 ECAAMO Cc1csc(NC(=O)C2CC[NH+](CCNS(C)(=O)=O)CC2)n1 ZINC000069845646 203056983 /nfs/dbraw/zinc/05/69/83/203056983.db2.gz KAUVTZLNXDSLLZ-UHFFFAOYSA-N 1 1 346.478 0.651 50 0 ECAAMO C[C@@H]1C[C@@H](N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C(=O)O1 ZINC000069771799 203047683 /nfs/dbraw/zinc/04/76/83/203047683.db2.gz DMEVZCNXLFYBCC-HLLBOEOZSA-N 1 1 334.416 0.748 50 0 ECAAMO CCCC[N@H+](CCO)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000070947696 203084189 /nfs/dbraw/zinc/08/41/89/203084189.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 1 1 329.485 0.554 50 0 ECAAMO CCCC[N@@H+](CCO)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000070947696 203084192 /nfs/dbraw/zinc/08/41/92/203084192.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 1 1 329.485 0.554 50 0 ECAAMO Cc1cccn2c(C[N@H+](C)CCO)c(C(=O)N3CCOCC3)nc12 ZINC000071736089 203105324 /nfs/dbraw/zinc/10/53/24/203105324.db2.gz BGCPMORSNKMCOE-UHFFFAOYSA-N 1 1 332.404 0.539 50 0 ECAAMO Cc1cccn2c(C[N@@H+](C)CCO)c(C(=O)N3CCOCC3)nc12 ZINC000071736089 203105326 /nfs/dbraw/zinc/10/53/26/203105326.db2.gz BGCPMORSNKMCOE-UHFFFAOYSA-N 1 1 332.404 0.539 50 0 ECAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071714682 203105690 /nfs/dbraw/zinc/10/56/90/203105690.db2.gz XSURFCNZXTYAHY-KRWDZBQOSA-N 1 1 346.475 0.867 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+](C[C@H](C)O)CC2)CCC(C)CC1 ZINC000071871376 203133436 /nfs/dbraw/zinc/13/34/36/203133436.db2.gz RGJPHZHYQROOIR-UUCFBXCCSA-N 1 1 325.453 0.596 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000071864648 203133594 /nfs/dbraw/zinc/13/35/94/203133594.db2.gz MMRUIOZJBSDBAY-IXDOHACOSA-N 1 1 340.512 0.316 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000071881956 203136061 /nfs/dbraw/zinc/13/60/61/203136061.db2.gz FKYONCKOFWBXOF-AWEZNQCLSA-N 1 1 347.415 0.912 50 0 ECAAMO Cc1nc2ncnn2c2ccn(CCC[NH+]3CCOCC3)c(=O)c12 ZINC000072117355 203163439 /nfs/dbraw/zinc/16/34/39/203163439.db2.gz PNLJYVUOMZILOZ-UHFFFAOYSA-N 1 1 328.376 0.470 50 0 ECAAMO O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072153259 203175219 /nfs/dbraw/zinc/17/52/19/203175219.db2.gz JHNKSNFCTMBRSI-QGZVFWFLSA-N 1 1 343.387 0.303 50 0 ECAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)cc1OC ZINC000072165862 203178966 /nfs/dbraw/zinc/17/89/66/203178966.db2.gz XFZBPTGXKSDYMA-CQSZACIVSA-N 1 1 349.431 0.654 50 0 ECAAMO C[N@@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1 ZINC000072167379 203180139 /nfs/dbraw/zinc/18/01/39/203180139.db2.gz ARHRKWBZRFTZNZ-MRXNPFEDSA-N 1 1 332.496 0.446 50 0 ECAAMO C[N@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1 ZINC000072167379 203180141 /nfs/dbraw/zinc/18/01/41/203180141.db2.gz ARHRKWBZRFTZNZ-MRXNPFEDSA-N 1 1 332.496 0.446 50 0 ECAAMO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072173665 203182366 /nfs/dbraw/zinc/18/23/66/203182366.db2.gz SQIHQMAPMGPOEA-ZYGGUILKSA-N 1 1 348.443 0.418 50 0 ECAAMO C[N@@H+]1CCN(C(=O)c2cnc(N)nc2-c2ccccc2)C[C@H]1CCO ZINC000072425182 203220981 /nfs/dbraw/zinc/22/09/81/203220981.db2.gz LKKKBPHBESOCDI-CQSZACIVSA-N 1 1 341.415 0.864 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc(N)nc2-c2ccccc2)C[C@H]1CCO ZINC000072425182 203220985 /nfs/dbraw/zinc/22/09/85/203220985.db2.gz LKKKBPHBESOCDI-CQSZACIVSA-N 1 1 341.415 0.864 50 0 ECAAMO CC[C@H]1CN(CC(=O)NCCOc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000075129416 203305007 /nfs/dbraw/zinc/30/50/07/203305007.db2.gz SXYDTVGHINHVBA-SJORKVTESA-N 1 1 349.475 0.959 50 0 ECAAMO CCN1CCC([NH2+]CC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077420275 203386990 /nfs/dbraw/zinc/38/69/90/203386990.db2.gz NAGYSMPVWXGBGU-KRWDZBQOSA-N 1 1 349.479 0.450 50 0 ECAAMO O[C@@]1(CNCCc2csc(-c3cnccn3)n2)C[NH2+]CCOC1 ZINC000077504567 203392091 /nfs/dbraw/zinc/39/20/91/203392091.db2.gz CWNRIUUMSYZPEJ-HNNXBMFYSA-N 1 1 335.433 0.083 50 0 ECAAMO CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000245328686 258000282 /nfs/dbraw/zinc/00/02/82/258000282.db2.gz WJMNLNOOSIATJT-CXAGYDPISA-N 1 1 328.372 0.058 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC000299781939 258090725 /nfs/dbraw/zinc/09/07/25/258090725.db2.gz VBHAEISAKDOOOS-NXEZZACHSA-N 1 1 345.852 0.655 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC000299781939 258090726 /nfs/dbraw/zinc/09/07/26/258090726.db2.gz VBHAEISAKDOOOS-NXEZZACHSA-N 1 1 345.852 0.655 50 0 ECAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299760507 258077108 /nfs/dbraw/zinc/07/71/08/258077108.db2.gz UXTYJIRRHPCUKM-HOTGVXAUSA-N 1 1 335.452 0.782 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@@H]2C1 ZINC000285727779 264336190 /nfs/dbraw/zinc/33/61/90/264336190.db2.gz KDOJLOSAWNVXCG-CVEARBPZSA-N 1 1 327.388 0.812 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000189399162 437595166 /nfs/dbraw/zinc/59/51/66/437595166.db2.gz VOCFFWCNNZMYKO-ARFHVFGLSA-N 1 1 325.453 0.155 50 0 ECAAMO C[NH+]1CCN(c2ncc3c(ccn(C[C@@H]4CCCO4)c3=O)n2)CC1 ZINC000009290398 277115015 /nfs/dbraw/zinc/11/50/15/277115015.db2.gz VRLKEACNNHZYTN-ZDUSSCGKSA-N 1 1 329.404 0.722 50 0 ECAAMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000225719098 278199988 /nfs/dbraw/zinc/19/99/88/278199988.db2.gz OKLNHDXPNQUROG-LKQDWFRTSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000225719098 278199990 /nfs/dbraw/zinc/19/99/90/278199990.db2.gz OKLNHDXPNQUROG-LKQDWFRTSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000071897057 278380761 /nfs/dbraw/zinc/38/07/61/278380761.db2.gz AAVIXPQCJBCDSB-STQMWFEESA-N 1 1 339.436 0.374 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000089937906 300212193 /nfs/dbraw/zinc/21/21/93/300212193.db2.gz HYEMKDZZVGPWLL-GXFFZTMASA-N 1 1 334.342 0.723 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000089937906 300212195 /nfs/dbraw/zinc/21/21/95/300212195.db2.gz HYEMKDZZVGPWLL-GXFFZTMASA-N 1 1 334.342 0.723 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000069740584 435962035 /nfs/dbraw/zinc/96/20/35/435962035.db2.gz SJUAEIOLFBXSRM-CVEARBPZSA-N 1 1 345.509 0.455 50 0 ECAAMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069770518 435966382 /nfs/dbraw/zinc/96/63/82/435966382.db2.gz LVPUZCGTZYXKSG-HNNXBMFYSA-N 1 1 345.399 0.013 50 0 ECAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2ncn3cccc3c2=O)C1 ZINC000005135772 435984204 /nfs/dbraw/zinc/98/42/04/435984204.db2.gz LFTCBTMDLNAUEO-GASCZTMLSA-N 1 1 345.447 0.980 50 0 ECAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CSC(=O)N1 ZINC000369590046 300752730 /nfs/dbraw/zinc/75/27/30/300752730.db2.gz BMSMMRUOSGUORH-LBPRGKRZSA-N 1 1 327.450 0.963 50 0 ECAAMO CC(NCC[NH+](C)C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000000529587 435955454 /nfs/dbraw/zinc/95/54/54/435955454.db2.gz STWBTGOQWJZCAS-WYMLVPIESA-N 1 1 330.388 0.690 50 0 ECAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC000007425485 436013277 /nfs/dbraw/zinc/01/32/77/436013277.db2.gz TXAPILLRBRAPAI-NSHDSACASA-N 1 1 344.419 0.716 50 0 ECAAMO O=C(C[NH+]1CCC(Nc2ccc3nnnn3n2)CC1)N1CCCC1 ZINC000071840997 436018908 /nfs/dbraw/zinc/01/89/08/436018908.db2.gz GNEWTJIUHNBQLQ-UHFFFAOYSA-N 1 1 330.396 0.018 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000072268870 436035418 /nfs/dbraw/zinc/03/54/18/436035418.db2.gz FGPAJMMKYLRSTC-ZDUSSCGKSA-N 1 1 344.415 0.381 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NN2CC[NH+](C)CC2)cc1Cl ZINC000009992168 436038366 /nfs/dbraw/zinc/03/83/66/436038366.db2.gz BLTMAOWRZRXTIR-UHFFFAOYSA-N 1 1 326.784 0.566 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOCC)n(C)c1=O ZINC000010386960 436040180 /nfs/dbraw/zinc/04/01/80/436040180.db2.gz HJMBHVWVMLEFDM-UHFFFAOYSA-N 1 1 348.407 0.539 50 0 ECAAMO COc1ncnc(N)c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000075093175 436149514 /nfs/dbraw/zinc/14/95/14/436149514.db2.gz GHXYZMIUZXDMIR-JTQLQIEISA-N 1 1 348.359 0.326 50 0 ECAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1CCNC1=O ZINC000026299316 436164365 /nfs/dbraw/zinc/16/43/65/436164365.db2.gz HQOPBLOPFRBAII-GFCCVEGCSA-N 1 1 328.376 0.812 50 0 ECAAMO CC(C)[C@H](CNC(=O)Cn1nnc2ccccc21)[NH+]1CCOCC1 ZINC000041870772 436286803 /nfs/dbraw/zinc/28/68/03/436286803.db2.gz XUTANQHDUWSBQF-INIZCTEOSA-N 1 1 331.420 0.904 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)c2nccnc2N)[C@H](c2ccccc2)C1 ZINC000040513485 436266041 /nfs/dbraw/zinc/26/60/41/436266041.db2.gz CUGRZAJIJUQLIT-HNNXBMFYSA-N 1 1 340.431 0.777 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040534301 436267605 /nfs/dbraw/zinc/26/76/05/436267605.db2.gz AXLHUNHUWMWWLI-GFCCVEGCSA-N 1 1 325.434 0.796 50 0 ECAAMO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@H]3C)ccc21 ZINC000078898883 436282936 /nfs/dbraw/zinc/28/29/36/436282936.db2.gz LPGUKQDSTGJXOX-ABAIWWIYSA-N 1 1 337.445 0.824 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000044910174 436351815 /nfs/dbraw/zinc/35/18/15/436351815.db2.gz KXOVGJBYAHXUFC-CQSZACIVSA-N 1 1 332.404 0.759 50 0 ECAAMO C[N@@H+]1CCO[C@@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000080431458 436320990 /nfs/dbraw/zinc/32/09/90/436320990.db2.gz KDMODGIUVQGUCI-CQSZACIVSA-N 1 1 327.388 0.618 50 0 ECAAMO C[N@H+]1CCO[C@@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000080431458 436320995 /nfs/dbraw/zinc/32/09/95/436320995.db2.gz KDMODGIUVQGUCI-CQSZACIVSA-N 1 1 327.388 0.618 50 0 ECAAMO Cc1nn(C)c2nc(C)c(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc12 ZINC000043754841 436336335 /nfs/dbraw/zinc/33/63/35/436336335.db2.gz GQOXCIAROAFCAI-UHFFFAOYSA-N 1 1 344.419 0.265 50 0 ECAAMO CCC[N@H+]1CCCn2nc(CNC(=O)Cc3nnc(C)[nH]3)cc2C1 ZINC000082138876 436363058 /nfs/dbraw/zinc/36/30/58/436363058.db2.gz ZWOWTZFDDMGVBA-UHFFFAOYSA-N 1 1 331.424 0.784 50 0 ECAAMO CCC[N@@H+]1CCCn2nc(CNC(=O)Cc3n[nH]c(C)n3)cc2C1 ZINC000082138876 436363061 /nfs/dbraw/zinc/36/30/61/436363061.db2.gz ZWOWTZFDDMGVBA-UHFFFAOYSA-N 1 1 331.424 0.784 50 0 ECAAMO CCC[N@H+]1CCCn2nc(CNC(=O)Cc3n[nH]c(C)n3)cc2C1 ZINC000082138876 436363064 /nfs/dbraw/zinc/36/30/64/436363064.db2.gz ZWOWTZFDDMGVBA-UHFFFAOYSA-N 1 1 331.424 0.784 50 0 ECAAMO CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000045526385 436368171 /nfs/dbraw/zinc/36/81/71/436368171.db2.gz AJNDKAPFWLQEFC-HUUCEWRRSA-N 1 1 340.468 0.640 50 0 ECAAMO C[N@H+](CCNS(C)(=O)=O)C[C@H](c1cccs1)N1CCOCC1 ZINC000083860936 436377379 /nfs/dbraw/zinc/37/73/79/436377379.db2.gz DQKPESVJHNRCIZ-CYBMUJFWSA-N 1 1 347.506 0.602 50 0 ECAAMO C[N@@H+](CCNS(C)(=O)=O)C[C@H](c1cccs1)N1CCOCC1 ZINC000083860936 436377382 /nfs/dbraw/zinc/37/73/82/436377382.db2.gz DQKPESVJHNRCIZ-CYBMUJFWSA-N 1 1 347.506 0.602 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cc1 ZINC000084597390 436382511 /nfs/dbraw/zinc/38/25/11/436382511.db2.gz OFOJHQQBEVFPFL-SFHVURJKSA-N 1 1 344.415 0.951 50 0 ECAAMO CC[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735859 436384680 /nfs/dbraw/zinc/38/46/80/436384680.db2.gz JGVIHXYRPDACOE-PMPSAXMXSA-N 1 1 326.437 0.751 50 0 ECAAMO O=C(Cn1cnc2ccccc21)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436563 436387879 /nfs/dbraw/zinc/38/78/79/436387879.db2.gz HHBOQGMETLDDQP-KRWDZBQOSA-N 1 1 328.416 0.951 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2Cl)CC1 ZINC000085436917 436390056 /nfs/dbraw/zinc/39/00/56/436390056.db2.gz ITXULGZDLJBSQV-ZDUSSCGKSA-N 1 1 325.840 0.955 50 0 ECAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000085470060 436390221 /nfs/dbraw/zinc/39/02/21/436390221.db2.gz KUIYNQMEQJQONJ-JTQLQIEISA-N 1 1 347.209 0.807 50 0 ECAAMO C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000044967886 436357582 /nfs/dbraw/zinc/35/75/82/436357582.db2.gz XXNQFZDBDXNSCD-OAHLLOKOSA-N 1 1 348.451 0.419 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000048172874 436442816 /nfs/dbraw/zinc/44/28/16/436442816.db2.gz PLNLZAYFNXLJEI-UHFFFAOYSA-N 1 1 346.435 0.753 50 0 ECAAMO Cc1scnc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091254680 436448467 /nfs/dbraw/zinc/44/84/67/436448467.db2.gz GELNCQQTPMFFAB-CHWSQXEVSA-N 1 1 325.434 0.464 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000048333401 436449589 /nfs/dbraw/zinc/44/95/89/436449589.db2.gz OXFPNHNQYMAFFR-CQSZACIVSA-N 1 1 337.807 0.709 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000048343910 436451355 /nfs/dbraw/zinc/45/13/55/436451355.db2.gz FOBHBUULOIKHDU-GFCCVEGCSA-N 1 1 325.434 0.938 50 0 ECAAMO CCC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1NS(=O)(=O)CC ZINC000091563229 436453895 /nfs/dbraw/zinc/45/38/95/436453895.db2.gz GWQZHWFIFFLCMV-KBPBESRZSA-N 1 1 331.482 0.649 50 0 ECAAMO COc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1O ZINC000091746972 436459053 /nfs/dbraw/zinc/45/90/53/436459053.db2.gz QWKXDPSLCHHEBW-CHWSQXEVSA-N 1 1 338.404 0.005 50 0 ECAAMO Cc1noc(CC2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC000091754730 436459153 /nfs/dbraw/zinc/45/91/53/436459153.db2.gz IGWAXCHPVMCTON-AWEZNQCLSA-N 1 1 349.435 0.356 50 0 ECAAMO Cc1c(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cnn1C ZINC000091831140 436460199 /nfs/dbraw/zinc/46/01/99/436460199.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 1 1 335.496 0.406 50 0 ECAAMO Cc1c(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cnn1C ZINC000091831140 436460203 /nfs/dbraw/zinc/46/02/03/436460203.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 1 1 335.496 0.406 50 0 ECAAMO O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091974222 436464329 /nfs/dbraw/zinc/46/43/29/436464329.db2.gz UOCAQIUQLXEFOH-IAGOWNOFSA-N 1 1 333.432 0.413 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cc1O ZINC000091907825 436464742 /nfs/dbraw/zinc/46/47/42/436464742.db2.gz SGSHXSIOTYWITD-IAGOWNOFSA-N 1 1 349.475 0.875 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1O ZINC000091907825 436464744 /nfs/dbraw/zinc/46/47/44/436464744.db2.gz SGSHXSIOTYWITD-IAGOWNOFSA-N 1 1 349.475 0.875 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c1C ZINC000092019616 436464860 /nfs/dbraw/zinc/46/48/60/436464860.db2.gz NWOVVRTVGNKFSZ-SFHVURJKSA-N 1 1 347.463 0.772 50 0 ECAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C[C@H]2C1=O ZINC000091907731 436464979 /nfs/dbraw/zinc/46/49/79/436464979.db2.gz VFSDFSKYNWFROW-TXEJJXNPSA-N 1 1 329.331 0.714 50 0 ECAAMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000047260836 436414520 /nfs/dbraw/zinc/41/45/20/436414520.db2.gz FCSSKPXXXGTEOJ-CYBMUJFWSA-N 1 1 347.419 0.886 50 0 ECAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000047260836 436414526 /nfs/dbraw/zinc/41/45/26/436414526.db2.gz FCSSKPXXXGTEOJ-CYBMUJFWSA-N 1 1 347.419 0.886 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)o1 ZINC000089702298 436415912 /nfs/dbraw/zinc/41/59/12/436415912.db2.gz MXIZRDCUAYYADB-ZDUSSCGKSA-N 1 1 347.419 0.087 50 0 ECAAMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)o1 ZINC000089702298 436415917 /nfs/dbraw/zinc/41/59/17/436415917.db2.gz MXIZRDCUAYYADB-ZDUSSCGKSA-N 1 1 347.419 0.087 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000089938481 436421653 /nfs/dbraw/zinc/42/16/53/436421653.db2.gz NUGCCGHUODOGDJ-LLVKDONJSA-N 1 1 341.433 0.379 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000089938481 436421655 /nfs/dbraw/zinc/42/16/55/436421655.db2.gz NUGCCGHUODOGDJ-LLVKDONJSA-N 1 1 341.433 0.379 50 0 ECAAMO C/C=C(\C)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C(=O)NCC ZINC000096138195 436515175 /nfs/dbraw/zinc/51/51/75/436515175.db2.gz JJCXVDZACULOPH-RIKNHUIHSA-N 1 1 347.463 0.853 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000095358716 436492516 /nfs/dbraw/zinc/49/25/16/436492516.db2.gz FVHXUCFEVUGCAP-CYBMUJFWSA-N 1 1 334.424 0.354 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000095402272 436493323 /nfs/dbraw/zinc/49/33/23/436493323.db2.gz DACHCELCWGMZQY-CABCVRRESA-N 1 1 346.435 0.711 50 0 ECAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 ZINC000095512462 436498721 /nfs/dbraw/zinc/49/87/21/436498721.db2.gz RYLQXDNTSBKEGS-HNNXBMFYSA-N 1 1 347.463 0.549 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2CCOC ZINC000095531552 436499410 /nfs/dbraw/zinc/49/94/10/436499410.db2.gz KYKTYGLIFHKNIE-UONOGXRCSA-N 1 1 334.420 0.541 50 0 ECAAMO O=C(c1ccon1)N1CC[N@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097819535 436543662 /nfs/dbraw/zinc/54/36/62/436543662.db2.gz QVQKBAYHWGKGMS-MRXNPFEDSA-N 1 1 327.384 0.961 50 0 ECAAMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(Cc2ccccc2F)CC1 ZINC000054867804 436559849 /nfs/dbraw/zinc/55/98/49/436559849.db2.gz ZLSBYBIIANJJNC-UHFFFAOYSA-N 1 1 348.422 0.292 50 0 ECAAMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(Cc2ccccc2F)CC1 ZINC000054867804 436559851 /nfs/dbraw/zinc/55/98/51/436559851.db2.gz ZLSBYBIIANJJNC-UHFFFAOYSA-N 1 1 348.422 0.292 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000055153784 436566545 /nfs/dbraw/zinc/56/65/45/436566545.db2.gz QDXRRICWRRBSRO-CQSZACIVSA-N 1 1 333.436 0.510 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000055153784 436566548 /nfs/dbraw/zinc/56/65/48/436566548.db2.gz QDXRRICWRRBSRO-CQSZACIVSA-N 1 1 333.436 0.510 50 0 ECAAMO COc1ccc2c(c1)ncc(C(=O)NCCC[NH+]1CCOCC1)c2O ZINC000058489893 436626486 /nfs/dbraw/zinc/62/64/86/436626486.db2.gz WWMUUHGNZVBNKI-UHFFFAOYSA-N 1 1 345.399 0.989 50 0 ECAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000055936707 436583422 /nfs/dbraw/zinc/58/34/22/436583422.db2.gz ACOHCKFSVZIJGE-ZBFHGGJFSA-N 1 1 335.448 0.568 50 0 ECAAMO CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000106921405 436605192 /nfs/dbraw/zinc/60/51/92/436605192.db2.gz VNWUXPJHOPEQDL-KRWDZBQOSA-N 1 1 344.459 0.785 50 0 ECAAMO O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553213 436613717 /nfs/dbraw/zinc/61/37/17/436613717.db2.gz LTAHGMSEYZAERA-CYBMUJFWSA-N 1 1 337.445 0.708 50 0 ECAAMO c1cc(C[NH+]2CCN(c3cncc4nnnn43)CC2)cc2c1OCC2 ZINC000058208893 436621499 /nfs/dbraw/zinc/62/14/99/436621499.db2.gz ANGYGCSENAHUQG-UHFFFAOYSA-N 1 1 337.387 0.776 50 0 ECAAMO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064469568 436649327 /nfs/dbraw/zinc/64/93/27/436649327.db2.gz TZBIPUAWXYFMGX-NSHDSACASA-N 1 1 337.342 0.378 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000220115553 436699874 /nfs/dbraw/zinc/69/98/74/436699874.db2.gz CUWGEBKNLHQSHV-GFCCVEGCSA-N 1 1 332.408 0.473 50 0 ECAAMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000225471374 436709529 /nfs/dbraw/zinc/70/95/29/436709529.db2.gz YZAFTGQDRITMMM-LBPRGKRZSA-N 1 1 338.374 0.645 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@@H]2C)CC1 ZINC000229307423 436715390 /nfs/dbraw/zinc/71/53/90/436715390.db2.gz DRSCLXJZJKUQKN-WMLDXEAASA-N 1 1 348.447 0.380 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@@H]2C)CC1 ZINC000229307423 436715394 /nfs/dbraw/zinc/71/53/94/436715394.db2.gz DRSCLXJZJKUQKN-WMLDXEAASA-N 1 1 348.447 0.380 50 0 ECAAMO O=c1[nH]nc2c(N3CC[C@H]([NH2+]Cc4ccccc4F)C3)nccn12 ZINC000067350118 436712539 /nfs/dbraw/zinc/71/25/39/436712539.db2.gz COISODANINFQQM-LBPRGKRZSA-N 1 1 328.351 0.925 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nnn(-c2cccs2)c1=O ZINC000065449673 436661108 /nfs/dbraw/zinc/66/11/08/436661108.db2.gz LCBGFHTYNXIGPF-NSHDSACASA-N 1 1 336.421 0.091 50 0 ECAAMO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[N@@H+](C)C1CC1 ZINC000065534447 436666443 /nfs/dbraw/zinc/66/64/43/436666443.db2.gz JWSRIVPKFCWTKQ-JTQLQIEISA-N 1 1 339.417 0.779 50 0 ECAAMO OCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccn2)CC1 ZINC000065565463 436668513 /nfs/dbraw/zinc/66/85/13/436668513.db2.gz ICEXFQANVKIUQU-UHFFFAOYSA-N 1 1 339.403 0.536 50 0 ECAAMO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3=NNC(=O)CC3)C2)[nH]n1 ZINC000067847748 436726100 /nfs/dbraw/zinc/72/61/00/436726100.db2.gz VFKWRYAXNPWVKP-LBPRGKRZSA-N 1 1 332.408 0.312 50 0 ECAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH+]1CC(O)C1 ZINC000067909320 436729257 /nfs/dbraw/zinc/72/92/57/436729257.db2.gz GAINZUSXNFPBRX-MRXNPFEDSA-N 1 1 326.343 0.495 50 0 ECAAMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](C)C(=O)OC)C2 ZINC000242389271 436759681 /nfs/dbraw/zinc/75/96/81/436759681.db2.gz ZVQWFHHWSFKMRU-NSHDSACASA-N 1 1 326.418 0.762 50 0 ECAAMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](C)C(=O)OC)C2 ZINC000242389271 436759686 /nfs/dbraw/zinc/75/96/86/436759686.db2.gz ZVQWFHHWSFKMRU-NSHDSACASA-N 1 1 326.418 0.762 50 0 ECAAMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000245338830 436760087 /nfs/dbraw/zinc/76/00/87/436760087.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 1 1 325.501 0.606 50 0 ECAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000245338830 436760091 /nfs/dbraw/zinc/76/00/91/436760091.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 1 1 325.501 0.606 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C)CC1 ZINC000229828901 436717566 /nfs/dbraw/zinc/71/75/66/436717566.db2.gz IMIWBHWFVALGMX-CGTJXYLNSA-N 1 1 349.479 0.119 50 0 ECAAMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000069533108 436778662 /nfs/dbraw/zinc/77/86/62/436778662.db2.gz LZBRJHIAZYGSER-WDEREUQCSA-N 1 1 328.413 0.949 50 0 ECAAMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000069533108 436778665 /nfs/dbraw/zinc/77/86/65/436778665.db2.gz LZBRJHIAZYGSER-WDEREUQCSA-N 1 1 328.413 0.949 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000253428183 436846407 /nfs/dbraw/zinc/84/64/07/436846407.db2.gz IDSFPACBKUKOBT-CQSZACIVSA-N 1 1 345.451 0.584 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccc(OC)n2)CC1 ZINC000257191921 436858392 /nfs/dbraw/zinc/85/83/92/436858392.db2.gz RRQVQSKIDJFTCU-CVEARBPZSA-N 1 1 348.447 0.236 50 0 ECAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249737661 436826502 /nfs/dbraw/zinc/82/65/02/436826502.db2.gz GIACINZSQKNTEK-CRWXNKLISA-N 1 1 331.482 0.839 50 0 ECAAMO C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000252486403 436834318 /nfs/dbraw/zinc/83/43/18/436834318.db2.gz JUVOAZQBIHZTLB-FMKPAKJESA-N 1 1 334.464 0.981 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000252485409 436834868 /nfs/dbraw/zinc/83/48/68/436834868.db2.gz GUEICVHHFRWLTJ-NQBHXWOUSA-N 1 1 335.370 0.991 50 0 ECAAMO Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]c(=O)n1 ZINC000182692523 437357780 /nfs/dbraw/zinc/35/77/80/437357780.db2.gz GKRVCKMUYSANKR-CQSZACIVSA-N 1 1 328.372 0.918 50 0 ECAAMO Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]c(=O)n1 ZINC000182692523 437357784 /nfs/dbraw/zinc/35/77/84/437357784.db2.gz GKRVCKMUYSANKR-CQSZACIVSA-N 1 1 328.372 0.918 50 0 ECAAMO CCNS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000268086036 437364868 /nfs/dbraw/zinc/36/48/68/437364868.db2.gz XGOIGCGQLYEFDC-CYBMUJFWSA-N 1 1 343.449 0.722 50 0 ECAAMO CCNS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000268086036 437364871 /nfs/dbraw/zinc/36/48/71/437364871.db2.gz XGOIGCGQLYEFDC-CYBMUJFWSA-N 1 1 343.449 0.722 50 0 ECAAMO COCC[NH+]1CCN(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000426387614 438057481 /nfs/dbraw/zinc/05/74/81/438057481.db2.gz IGMCZNPGSRBUNS-UHFFFAOYSA-N 1 1 333.392 0.742 50 0 ECAAMO CCOC1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426618034 438069224 /nfs/dbraw/zinc/06/92/24/438069224.db2.gz AJBCSOBFAYFTEK-CYBMUJFWSA-N 1 1 336.436 1.390 50 0 ECAAMO CNC(=O)[C@H]1C[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1 ZINC000390834551 438436889 /nfs/dbraw/zinc/43/68/89/438436889.db2.gz CGXGKRZVVOIJNQ-MLGOLLRUSA-N 1 1 345.440 0.051 50 0 ECAAMO CNC(=O)[C@H]1C[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CCO1 ZINC000390834551 438436893 /nfs/dbraw/zinc/43/68/93/438436893.db2.gz CGXGKRZVVOIJNQ-MLGOLLRUSA-N 1 1 345.440 0.051 50 0 ECAAMO C[C@H](CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)S(N)(=O)=O ZINC000408515737 438581504 /nfs/dbraw/zinc/58/15/04/438581504.db2.gz QOAZDIROBPULEG-LLVKDONJSA-N 1 1 346.428 0.234 50 0 ECAAMO NC(=O)C1CC[NH+](C2CN(C(=O)c3ccc4nsnc4c3)C2)CC1 ZINC000575608576 438750854 /nfs/dbraw/zinc/75/08/54/438750854.db2.gz ZEBODIJJJVQYFK-UHFFFAOYSA-N 1 1 345.428 0.713 50 0 ECAAMO C[C@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C(=O)N(C)C)o1 ZINC000534583488 439528708 /nfs/dbraw/zinc/52/87/08/439528708.db2.gz PWRAKFYDJJZENQ-SNVBAGLBSA-N 1 1 329.422 0.541 50 0 ECAAMO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)ccn1 ZINC000585141200 439634239 /nfs/dbraw/zinc/63/42/39/439634239.db2.gz RGHOSNDZXXPZFW-HNNXBMFYSA-N 1 1 346.431 0.907 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(CCO)Cc1nccs1 ZINC000584899462 439625801 /nfs/dbraw/zinc/62/58/01/439625801.db2.gz VUQLIZLNTPLMAY-STQMWFEESA-N 1 1 342.465 0.755 50 0 ECAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000091445284 545722378 /nfs/dbraw/zinc/72/23/78/545722378.db2.gz YUCLEVKLDLHPBO-CQSZACIVSA-N 1 1 325.434 0.825 50 0 ECAAMO CCCn1nccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670458907 548015865 /nfs/dbraw/zinc/01/58/65/548015865.db2.gz QMTFGONHMDNTCD-CYBMUJFWSA-N 1 1 330.454 0.418 50 0 ECAAMO CCCn1nccc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670458907 548015870 /nfs/dbraw/zinc/01/58/70/548015870.db2.gz QMTFGONHMDNTCD-CYBMUJFWSA-N 1 1 330.454 0.418 50 0 ECAAMO CCCn1nccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670458908 548016033 /nfs/dbraw/zinc/01/60/33/548016033.db2.gz QMTFGONHMDNTCD-ZDUSSCGKSA-N 1 1 330.454 0.418 50 0 ECAAMO CCCn1nccc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670458908 548016036 /nfs/dbraw/zinc/01/60/36/548016036.db2.gz QMTFGONHMDNTCD-ZDUSSCGKSA-N 1 1 330.454 0.418 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc2[nH]cnc2c1 ZINC000670470856 548018173 /nfs/dbraw/zinc/01/81/73/548018173.db2.gz ICKONQWPFDRDBR-GFCCVEGCSA-N 1 1 338.433 0.688 50 0 ECAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc2[nH]cnc2c1 ZINC000670470856 548018177 /nfs/dbraw/zinc/01/81/77/548018177.db2.gz ICKONQWPFDRDBR-GFCCVEGCSA-N 1 1 338.433 0.688 50 0 ECAAMO CN1C[C@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC1=O ZINC000818793155 587453019 /nfs/dbraw/zinc/45/30/19/587453019.db2.gz FUCIFNGVYMXUEP-GFCCVEGCSA-N 1 1 332.404 0.994 50 0 ECAAMO CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CCC[N@H+]1CC1CC1 ZINC000071747219 610688377 /nfs/dbraw/zinc/68/83/77/610688377.db2.gz FMZFZNITAFVQDZ-HNNXBMFYSA-N 1 1 348.447 0.575 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000952971119 612139128 /nfs/dbraw/zinc/13/91/28/612139128.db2.gz DEZKZDDZLYFHGF-OCCSQVGLSA-N 1 1 339.823 0.687 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ncccc2Cl)CC1 ZINC000952988095 612140264 /nfs/dbraw/zinc/14/02/64/612140264.db2.gz AZCIFOHKZAHELL-ZDUSSCGKSA-N 1 1 334.811 0.677 50 0 ECAAMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000952993758 612140872 /nfs/dbraw/zinc/14/08/72/612140872.db2.gz LVVANSAKYASASA-IXDOHACOSA-N 1 1 346.427 0.891 50 0 ECAAMO Cc1nc2cc(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C ZINC000091906587 612531958 /nfs/dbraw/zinc/53/19/58/612531958.db2.gz IKWACTNDXUGQON-CQSZACIVSA-N 1 1 343.431 0.695 50 0 ECAAMO CCn1ccc(C(=O)N2CC[C@@H]3COCC[N@H+](CCOC)[C@@H]3C2)n1 ZINC000581782301 738435363 /nfs/dbraw/zinc/43/53/63/738435363.db2.gz ZJFLLRHRVWFEOO-GDBMZVCRSA-N 1 1 336.436 0.712 50 0 ECAAMO CCn1ccc(C(=O)N2CC[C@@H]3COCC[N@@H+](CCOC)[C@@H]3C2)n1 ZINC000581782301 738435366 /nfs/dbraw/zinc/43/53/66/738435366.db2.gz ZJFLLRHRVWFEOO-GDBMZVCRSA-N 1 1 336.436 0.712 50 0 ECAAMO COCCC(=O)N1CCC([N@H+]2C[C@@H](OC)C23CCOCC3)CC1 ZINC000581803561 738445703 /nfs/dbraw/zinc/44/57/03/738445703.db2.gz XTPGQMORLSQVEC-OAHLLOKOSA-N 1 1 326.437 0.894 50 0 ECAAMO Cc1nc(CNC(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n[nH]1 ZINC000426623093 753765207 /nfs/dbraw/zinc/76/52/07/753765207.db2.gz UMUGJFGLGPEXSP-CYBMUJFWSA-N 1 1 349.483 0.671 50 0 ECAAMO CSCC[NH+]1CCN(C(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000097675254 219047259 /nfs/dbraw/zinc/04/72/59/219047259.db2.gz ZMVAESRFTKYZNU-UHFFFAOYSA-N 1 1 332.433 0.988 50 0 ECAAMO COCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)[nH]n1 ZINC000055183222 214285491 /nfs/dbraw/zinc/28/54/91/214285491.db2.gz NXKTYAJKBWTHPL-AWEZNQCLSA-N 1 1 337.424 0.113 50 0 ECAAMO COCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)[nH]n1 ZINC000055183222 214285495 /nfs/dbraw/zinc/28/54/95/214285495.db2.gz NXKTYAJKBWTHPL-AWEZNQCLSA-N 1 1 337.424 0.113 50 0 ECAAMO CN1CCN(c2c(=O)c(=O)c2NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000101686935 219156446 /nfs/dbraw/zinc/15/64/46/219156446.db2.gz HGDDUKDHYCPWJR-OAHLLOKOSA-N 1 1 342.443 0.749 50 0 ECAAMO C[C@H]1C[NH+](CCC2CCN(CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490165 290842253 /nfs/dbraw/zinc/84/22/53/290842253.db2.gz GTCJHNKNRYMVKP-GJZGRUSLSA-N 1 1 347.525 0.747 50 0 ECAAMO C[C@@H]1C[N@H+](C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)CCO1 ZINC000067400158 215140805 /nfs/dbraw/zinc/14/08/05/215140805.db2.gz MUBFFSGETPSNLI-GFCCVEGCSA-N 1 1 335.456 0.205 50 0 ECAAMO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067696484 215188650 /nfs/dbraw/zinc/18/86/50/215188650.db2.gz PZQKYRFBIILUHN-GFCCVEGCSA-N 1 1 335.429 0.899 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)c2ccc(=O)[nH]n2)[C@H](c2ccccc2)C1 ZINC000040513484 213330681 /nfs/dbraw/zinc/33/06/81/213330681.db2.gz GCYFYMXWSDCTIP-INIZCTEOSA-N 1 1 341.415 0.901 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000069819528 215597074 /nfs/dbraw/zinc/59/70/74/215597074.db2.gz IMNFGSFADPGFMB-SNVBAGLBSA-N 1 1 328.210 0.983 50 0 ECAAMO O=S1(=O)CC[C@@H](CNc2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072148126 216035597 /nfs/dbraw/zinc/03/55/97/216035597.db2.gz PLZKESLHJZDHQD-NSHDSACASA-N 1 1 345.428 0.988 50 0 ECAAMO CN(C)c1cccc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)c1 ZINC000072158001 216048584 /nfs/dbraw/zinc/04/85/84/216048584.db2.gz CIZYEZKHNCLWMQ-MRXNPFEDSA-N 1 1 346.431 0.025 50 0 ECAAMO CNC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436333 216231406 /nfs/dbraw/zinc/23/14/06/216231406.db2.gz MDBJDOFWMWQAQH-AWEZNQCLSA-N 1 1 333.436 0.547 50 0 ECAAMO CNC(=O)C[N@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072436333 216231410 /nfs/dbraw/zinc/23/14/10/216231410.db2.gz MDBJDOFWMWQAQH-AWEZNQCLSA-N 1 1 333.436 0.547 50 0 ECAAMO O=C(NCc1csc(-c2cnccn2)n1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072453525 216240388 /nfs/dbraw/zinc/24/03/88/216240388.db2.gz FFPWHYWDZYKLET-ZDUSSCGKSA-N 1 1 341.400 0.826 50 0 ECAAMO O=C(c1cccs1)N1CCN(C(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072454184 216241627 /nfs/dbraw/zinc/24/16/27/216241627.db2.gz OIAHLBFMGQPXFN-CQSZACIVSA-N 1 1 345.428 0.643 50 0 ECAAMO O=C(c1nc[nH]n1)N1CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000215161793 241110071 /nfs/dbraw/zinc/11/00/71/241110071.db2.gz HYIZYTYDLTUZRE-GOSISDBHSA-N 1 1 341.415 0.921 50 0 ECAAMO CCCC(=O)NCC(=O)Nc1c(C)nc(N2CC[NH+](C)CC2)nc1C ZINC000207976999 241063507 /nfs/dbraw/zinc/06/35/07/241063507.db2.gz DPRFKHWWYDLBLT-UHFFFAOYSA-N 1 1 348.451 0.700 50 0 ECAAMO Cc1nc(CN(C)C(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000216194321 241170082 /nfs/dbraw/zinc/17/00/82/241170082.db2.gz XGYPZKMNNFRHDP-ZDUSSCGKSA-N 1 1 345.490 0.919 50 0 ECAAMO Cc1nc(CN(C)C(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000216194321 241170087 /nfs/dbraw/zinc/17/00/87/241170087.db2.gz XGYPZKMNNFRHDP-ZDUSSCGKSA-N 1 1 345.490 0.919 50 0 ECAAMO O=C(CNC(=O)COc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000021554694 212232122 /nfs/dbraw/zinc/23/21/22/212232122.db2.gz WLILGGZDGSCLPS-UHFFFAOYSA-N 1 1 335.404 0.020 50 0 ECAAMO CC[C@H]1CN(CCn2cccn2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000229530904 242175088 /nfs/dbraw/zinc/17/50/88/242175088.db2.gz KLVNGCDZQWLTJI-DLBZAZTESA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@H]1C[N@H+](CCn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000229530904 242175093 /nfs/dbraw/zinc/17/50/93/242175093.db2.gz KLVNGCDZQWLTJI-DLBZAZTESA-N 1 1 332.452 0.537 50 0 ECAAMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C[C@@H](O)Cn1cccn1 ZINC000229530904 242175099 /nfs/dbraw/zinc/17/50/99/242175099.db2.gz KLVNGCDZQWLTJI-DLBZAZTESA-N 1 1 332.452 0.537 50 0 ECAAMO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554823 242179311 /nfs/dbraw/zinc/17/93/11/242179311.db2.gz MCOVWXRRTRCBQI-DLBZAZTESA-N 1 1 332.404 0.557 50 0 ECAAMO O[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554823 242179317 /nfs/dbraw/zinc/17/93/17/242179317.db2.gz MCOVWXRRTRCBQI-DLBZAZTESA-N 1 1 332.404 0.557 50 0 ECAAMO CS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229816364 242204225 /nfs/dbraw/zinc/20/42/25/242204225.db2.gz QBKVHIKOCNDDJX-KGLIPLIRSA-N 1 1 344.481 0.336 50 0 ECAAMO Cc1nn(CCO)cc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230082440 242226612 /nfs/dbraw/zinc/22/66/12/242226612.db2.gz WBPUBIRRMGUYJC-GOSISDBHSA-N 1 1 349.479 0.312 50 0 ECAAMO CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000020029352 212094776 /nfs/dbraw/zinc/09/47/76/212094776.db2.gz SXQWQADHMLIOMM-UHFFFAOYSA-N 1 1 340.449 0.073 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000020018205 212093914 /nfs/dbraw/zinc/09/39/14/212093914.db2.gz JHNHKIYFGWGFPO-HNNXBMFYSA-N 1 1 333.407 0.991 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000020018209 212093663 /nfs/dbraw/zinc/09/36/63/212093663.db2.gz JHNHKIYFGWGFPO-OAHLLOKOSA-N 1 1 333.407 0.991 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000019527819 212038258 /nfs/dbraw/zinc/03/82/58/212038258.db2.gz XGXJJGYQYGKIRQ-UHFFFAOYSA-N 1 1 343.424 0.610 50 0 ECAAMO O=C(Cn1cc(Br)ccc1=O)N1CC[NH+](C2CC2)CC1 ZINC000049388476 214004604 /nfs/dbraw/zinc/00/46/04/214004604.db2.gz DQXPSBYWJWIDQR-UHFFFAOYSA-N 1 1 340.221 0.917 50 0 ECAAMO COc1ccc(C)cc1N1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000018155357 211984555 /nfs/dbraw/zinc/98/45/55/211984555.db2.gz ZQKWYAFPFKBGDX-AWEZNQCLSA-N 1 1 345.399 0.833 50 0 ECAAMO CCc1cc(N2C[C@H](NC(=O)C[NH2+]C)[C@@H](C3CC3)C2)nc(N(C)C)n1 ZINC000091493980 218014550 /nfs/dbraw/zinc/01/45/50/218014550.db2.gz WPXPHDBOQRNUNB-CABCVRRESA-N 1 1 346.479 0.655 50 0 ECAAMO C[N@@H+]1CCN(S(C)(=O)=O)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091391237 218001148 /nfs/dbraw/zinc/00/11/48/218001148.db2.gz URFOXRSVBBGRIL-HNNXBMFYSA-N 1 1 329.466 0.355 50 0 ECAAMO C[N@H+]1CCN(S(C)(=O)=O)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091391237 218001150 /nfs/dbraw/zinc/00/11/50/218001150.db2.gz URFOXRSVBBGRIL-HNNXBMFYSA-N 1 1 329.466 0.355 50 0 ECAAMO NC(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000091468655 218010661 /nfs/dbraw/zinc/01/06/61/218010661.db2.gz UEKIKSAFCBVIFH-HNNXBMFYSA-N 1 1 333.436 0.423 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000091551851 218021636 /nfs/dbraw/zinc/02/16/36/218021636.db2.gz KZSULYRZPRSTLL-HOCLYGCPSA-N 1 1 346.431 0.974 50 0 ECAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)c3ccco3)C2)CC1 ZINC000091690403 218048438 /nfs/dbraw/zinc/04/84/38/218048438.db2.gz NEJGEVQAYRRXTJ-CVEARBPZSA-N 1 1 335.448 0.988 50 0 ECAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccco3)C2)CC1 ZINC000091690403 218048440 /nfs/dbraw/zinc/04/84/40/218048440.db2.gz NEJGEVQAYRRXTJ-CVEARBPZSA-N 1 1 335.448 0.988 50 0 ECAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)c3ccco3)C2)CC1 ZINC000091690403 218048442 /nfs/dbraw/zinc/04/84/42/218048442.db2.gz NEJGEVQAYRRXTJ-CVEARBPZSA-N 1 1 335.448 0.988 50 0 ECAAMO CCCc1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)n(C)n1 ZINC000091694356 218049128 /nfs/dbraw/zinc/04/91/28/218049128.db2.gz KLJWZDLJUCMYNL-SFHVURJKSA-N 1 1 347.463 0.799 50 0 ECAAMO Cc1cc[nH+]c(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)c1 ZINC000091693579 218049489 /nfs/dbraw/zinc/04/94/89/218049489.db2.gz NQHJCNOHWPYNCE-LBPRGKRZSA-N 1 1 331.376 0.027 50 0 ECAAMO Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2O ZINC000091650761 218040005 /nfs/dbraw/zinc/04/00/05/218040005.db2.gz DGGZISIEXLYEML-HZTRTUMWSA-N 1 1 335.452 0.187 50 0 ECAAMO CC(C)c1cc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)n(C)n1 ZINC000091665869 218043910 /nfs/dbraw/zinc/04/39/10/218043910.db2.gz XJWFIBNXDJYIGL-HOCLYGCPSA-N 1 1 335.452 0.288 50 0 ECAAMO CCN1C[C@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000091997736 218100736 /nfs/dbraw/zinc/10/07/36/218100736.db2.gz USUIHRPXPBLJMF-MRXNPFEDSA-N 1 1 330.432 0.984 50 0 ECAAMO CCN1C[C@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000091997736 218100738 /nfs/dbraw/zinc/10/07/38/218100738.db2.gz USUIHRPXPBLJMF-MRXNPFEDSA-N 1 1 330.432 0.984 50 0 ECAAMO O=C(N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1)C1(Cn2cccn2)CC1 ZINC000092062054 218111365 /nfs/dbraw/zinc/11/13/65/218111365.db2.gz KEMVEKRMWCXPOQ-HZPDHXFCSA-N 1 1 348.447 0.062 50 0 ECAAMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000092813341 218169890 /nfs/dbraw/zinc/16/98/90/218169890.db2.gz LMVWQBLJIRSSOT-AWEZNQCLSA-N 1 1 343.431 0.721 50 0 ECAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095354621 218287797 /nfs/dbraw/zinc/28/77/97/218287797.db2.gz SSKBGBVGZHKHPX-LBPRGKRZSA-N 1 1 333.436 0.665 50 0 ECAAMO Cc1nonc1OCCNC(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095357388 218291062 /nfs/dbraw/zinc/29/10/62/218291062.db2.gz GFYRLWXFGWEYCJ-ZDUSSCGKSA-N 1 1 338.408 0.764 50 0 ECAAMO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1cccnc1 ZINC000008992580 211028207 /nfs/dbraw/zinc/02/82/07/211028207.db2.gz SZBFSWQSSHQCIQ-AWEZNQCLSA-N 1 1 326.360 0.607 50 0 ECAAMO C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000095373349 218306917 /nfs/dbraw/zinc/30/69/17/218306917.db2.gz RMAOAFKZMATOOK-UONOGXRCSA-N 1 1 326.466 0.347 50 0 ECAAMO C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1c1nccs1 ZINC000095373349 218306921 /nfs/dbraw/zinc/30/69/21/218306921.db2.gz RMAOAFKZMATOOK-UONOGXRCSA-N 1 1 326.466 0.347 50 0 ECAAMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)[C@@H](C)C1 ZINC000095402528 218337888 /nfs/dbraw/zinc/33/78/88/218337888.db2.gz SNGDVTBQXUSFMB-JQWIXIFHSA-N 1 1 328.438 0.131 50 0 ECAAMO C[C@H](CCNC(=O)c1cnc(C2CC2)[nH]c1=O)N1CC[NH+](C)CC1 ZINC000097334283 219012816 /nfs/dbraw/zinc/01/28/16/219012816.db2.gz JLDXISVTAWULFD-GFCCVEGCSA-N 1 1 333.436 0.403 50 0 ECAAMO Cn1c(=O)oc2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc21 ZINC000299798249 258102642 /nfs/dbraw/zinc/10/26/42/258102642.db2.gz QTINDZLHYXLIKO-ZDUSSCGKSA-N 1 1 333.388 0.708 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)Nc1cc(-n2cnnn2)ccc1F ZINC000171402007 227062598 /nfs/dbraw/zinc/06/25/98/227062598.db2.gz KYKXNDXILNTKQD-UHFFFAOYSA-N 1 1 349.370 0.645 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1nnc2ccc(OC)nn21 ZINC000096230982 276372115 /nfs/dbraw/zinc/37/21/15/276372115.db2.gz LESFLBCADXCBSM-GFCCVEGCSA-N 1 1 332.408 0.666 50 0 ECAAMO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000408525474 277319584 /nfs/dbraw/zinc/31/95/84/277319584.db2.gz BLGWYXFFRPDWJE-QWHCGFSZSA-N 1 1 329.393 0.956 50 0 ECAAMO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000408525474 277319585 /nfs/dbraw/zinc/31/95/85/277319585.db2.gz BLGWYXFFRPDWJE-QWHCGFSZSA-N 1 1 329.393 0.956 50 0 ECAAMO Cc1nc(CN2CCN(C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)no1 ZINC000063857209 279083386 /nfs/dbraw/zinc/08/33/86/279083386.db2.gz UZXOIVFXDLJWBP-SJLPKXTDSA-N 1 1 349.479 0.875 50 0 ECAAMO Cc1csc(N2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]2C)n1 ZINC000069930194 435977991 /nfs/dbraw/zinc/97/79/91/435977991.db2.gz LHWZWCQAZFCLCE-LBPRGKRZSA-N 1 1 349.460 0.560 50 0 ECAAMO Cc1csc(N2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]2C)n1 ZINC000069930194 435977997 /nfs/dbraw/zinc/97/79/97/435977997.db2.gz LHWZWCQAZFCLCE-LBPRGKRZSA-N 1 1 349.460 0.560 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000069968091 435980119 /nfs/dbraw/zinc/98/01/19/435980119.db2.gz IPYYXXKTDCSNBX-BRWVUGGUSA-N 1 1 325.453 0.155 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000070020590 435983892 /nfs/dbraw/zinc/98/38/92/435983892.db2.gz QENHSFBFOKDVRJ-UHFFFAOYSA-N 1 1 329.404 0.796 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000070040862 435986549 /nfs/dbraw/zinc/98/65/49/435986549.db2.gz IMDGIOZAICHUMD-UONOGXRCSA-N 1 1 335.404 0.153 50 0 ECAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069600666 435950651 /nfs/dbraw/zinc/95/06/51/435950651.db2.gz ZNXUSPBSDMRNQO-MGPQQGTHSA-N 1 1 346.497 0.281 50 0 ECAAMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069600666 435950657 /nfs/dbraw/zinc/95/06/57/435950657.db2.gz ZNXUSPBSDMRNQO-MGPQQGTHSA-N 1 1 346.497 0.281 50 0 ECAAMO CN(C)c1nc(NCN2C(=O)c3ccccc3C2=O)[nH+]c(N(C)C)n1 ZINC000000495150 435954430 /nfs/dbraw/zinc/95/44/30/435954430.db2.gz OINKJAHXEFSIFG-UHFFFAOYSA-N 1 1 341.375 0.669 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071551981 436008151 /nfs/dbraw/zinc/00/81/51/436008151.db2.gz RLMZFVOUWLZMDW-OAHLLOKOSA-N 1 1 348.447 0.841 50 0 ECAAMO COc1ccc(OC)c(CCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000071795932 436014244 /nfs/dbraw/zinc/01/42/44/436014244.db2.gz VOFHWRUFRMRXTM-UHFFFAOYSA-N 1 1 349.431 0.702 50 0 ECAAMO C[C@H]1C[N@H+](C2CCN(C(=O)CN(C)c3cnccn3)CC2)CCO1 ZINC000071829423 436016288 /nfs/dbraw/zinc/01/62/88/436016288.db2.gz KQJQETZESTZXIV-AWEZNQCLSA-N 1 1 333.436 0.625 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C ZINC000071864747 436017303 /nfs/dbraw/zinc/01/73/03/436017303.db2.gz DNAYYHWCANUUSC-AWEZNQCLSA-N 1 1 346.431 0.624 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C ZINC000071864747 436017309 /nfs/dbraw/zinc/01/73/09/436017309.db2.gz DNAYYHWCANUUSC-AWEZNQCLSA-N 1 1 346.431 0.624 50 0 ECAAMO Cc1cc(C)n2nc(CC(=O)N3CC[N@H+]4CCCC[C@H]4C3)nc2n1 ZINC000071839791 436019541 /nfs/dbraw/zinc/01/95/41/436019541.db2.gz VMNAVBWQMZYDJJ-AWEZNQCLSA-N 1 1 328.420 0.980 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000071875863 436022221 /nfs/dbraw/zinc/02/22/21/436022221.db2.gz KJBJDOPXJSOAIB-HOCLYGCPSA-N 1 1 347.463 0.768 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000071871281 436022962 /nfs/dbraw/zinc/02/29/62/436022962.db2.gz QXLJFEMIJMZRCN-CQSZACIVSA-N 1 1 329.404 0.335 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000071881854 436025545 /nfs/dbraw/zinc/02/55/45/436025545.db2.gz IFEGOQGOEFOLIG-UHFFFAOYSA-N 1 1 335.404 0.079 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000072268614 436036028 /nfs/dbraw/zinc/03/60/28/436036028.db2.gz YFWXENIADMIWCB-HUUCEWRRSA-N 1 1 348.447 0.449 50 0 ECAAMO COC(C)(C)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072167208 436036888 /nfs/dbraw/zinc/03/68/88/436036888.db2.gz ZKEQWBVURXMYSF-MRXNPFEDSA-N 1 1 347.459 0.961 50 0 ECAAMO COC(C)(C)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072167208 436036891 /nfs/dbraw/zinc/03/68/91/436036891.db2.gz ZKEQWBVURXMYSF-MRXNPFEDSA-N 1 1 347.459 0.961 50 0 ECAAMO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1 ZINC000018190015 436104572 /nfs/dbraw/zinc/10/45/72/436104572.db2.gz MCDYCGQWZPQWPZ-OAHLLOKOSA-N 1 1 345.399 0.915 50 0 ECAAMO C1C[C@@H]2CN(c3nc4nonc4nc3N3CCOCC3)CC[N@H+]2C1 ZINC000012715105 436054848 /nfs/dbraw/zinc/05/48/48/436054848.db2.gz VQIYKDDIWFOBTN-LLVKDONJSA-N 1 1 331.380 0.134 50 0 ECAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C(C)C)cc1 ZINC000013371604 436062047 /nfs/dbraw/zinc/06/20/47/436062047.db2.gz YYZQBSQLWUWHLI-KBPBESRZSA-N 1 1 347.458 0.633 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccnc(Cl)c1 ZINC000013690294 436066586 /nfs/dbraw/zinc/06/65/86/436066586.db2.gz LDTLWXIAFDGPSE-UHFFFAOYSA-N 1 1 326.784 0.512 50 0 ECAAMO C[N@H+]1CCN2c3ccc(N)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 ZINC000017042826 436097223 /nfs/dbraw/zinc/09/72/23/436097223.db2.gz OCFXTFSAEODUHM-LBPRGKRZSA-N 1 1 329.360 0.138 50 0 ECAAMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025942079 436154939 /nfs/dbraw/zinc/15/49/39/436154939.db2.gz VEAYJIUTMBSBTG-ZDUSSCGKSA-N 1 1 342.399 0.100 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000075602911 436165470 /nfs/dbraw/zinc/16/54/70/436165470.db2.gz NIOQHVYHUMDCJE-ZDUSSCGKSA-N 1 1 332.404 0.355 50 0 ECAAMO O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077287180 436231803 /nfs/dbraw/zinc/23/18/03/436231803.db2.gz GGDZLJCLRKSRBU-KRWDZBQOSA-N 1 1 345.403 0.257 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]2C)CC1 ZINC000078896159 436283218 /nfs/dbraw/zinc/28/32/18/436283218.db2.gz XGHKHOOJWCLGMF-PBHICJAKSA-N 1 1 336.480 0.530 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000078899603 436283320 /nfs/dbraw/zinc/28/33/20/436283320.db2.gz KUCIZNNXZNBPQW-KGLIPLIRSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000078899603 436283323 /nfs/dbraw/zinc/28/33/23/436283323.db2.gz KUCIZNNXZNBPQW-KGLIPLIRSA-N 1 1 337.424 0.179 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000042286616 436300664 /nfs/dbraw/zinc/30/06/64/436300664.db2.gz LBAYYUOAMCLDPK-MELADBBJSA-N 1 1 339.436 0.374 50 0 ECAAMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768123 436384530 /nfs/dbraw/zinc/38/45/30/436384530.db2.gz BCNWLJKYUGVDIO-ZDUSSCGKSA-N 1 1 343.449 0.741 50 0 ECAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768123 436384533 /nfs/dbraw/zinc/38/45/33/436384533.db2.gz BCNWLJKYUGVDIO-ZDUSSCGKSA-N 1 1 343.449 0.741 50 0 ECAAMO Cc1noc(C)c1CC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044916277 436354291 /nfs/dbraw/zinc/35/42/91/436354291.db2.gz ILYUXICMEZHYHB-HOCLYGCPSA-N 1 1 337.420 0.687 50 0 ECAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cnccn3)cn2)CC1 ZINC000044973302 436358780 /nfs/dbraw/zinc/35/87/80/436358780.db2.gz UIIBGILXVVGLFS-UHFFFAOYSA-N 1 1 326.404 0.944 50 0 ECAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1cccnc1N)C2 ZINC000091306015 436449012 /nfs/dbraw/zinc/44/90/12/436449012.db2.gz OYKFYHSEKPYEHO-TZMCWYRMSA-N 1 1 339.465 0.366 50 0 ECAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1cccnc1N)C2 ZINC000091306015 436449015 /nfs/dbraw/zinc/44/90/15/436449015.db2.gz OYKFYHSEKPYEHO-TZMCWYRMSA-N 1 1 339.465 0.366 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000048304054 436449454 /nfs/dbraw/zinc/44/94/54/436449454.db2.gz SIVKYCHPZHUNTJ-CQSZACIVSA-N 1 1 332.404 0.239 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1CO ZINC000092022709 436464621 /nfs/dbraw/zinc/46/46/21/436464621.db2.gz XAEOLMCBPODLCK-HUUCEWRRSA-N 1 1 338.473 0.770 50 0 ECAAMO Fc1cnc(N2CC[NH+](CCn3cncn3)CC2)nc1N1CCCC1 ZINC000096150467 436517243 /nfs/dbraw/zinc/51/72/43/436517243.db2.gz TYMXRPZDVHXSBG-UHFFFAOYSA-N 1 1 346.414 0.630 50 0 ECAAMO NC1=NC(=O)C2(CCN(C(=O)[C@H]3CCC[N@H+](C4CCCC4)C3)CC2)N1 ZINC000095366837 436492105 /nfs/dbraw/zinc/49/21/05/436492105.db2.gz UHNAMOYLVUXWKR-ZDUSSCGKSA-N 1 1 347.463 0.447 50 0 ECAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 ZINC000095512463 436498223 /nfs/dbraw/zinc/49/82/23/436498223.db2.gz RYLQXDNTSBKEGS-OAHLLOKOSA-N 1 1 347.463 0.549 50 0 ECAAMO COc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(O)c1 ZINC000058405681 436625197 /nfs/dbraw/zinc/62/51/97/436625197.db2.gz PFVHGFJWWHDTSN-HNNXBMFYSA-N 1 1 347.415 0.955 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000058378387 436625651 /nfs/dbraw/zinc/62/56/51/436625651.db2.gz OFAGESSXNFVTJG-ZDUSSCGKSA-N 1 1 347.419 0.886 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000106868946 436603721 /nfs/dbraw/zinc/60/37/21/436603721.db2.gz XYLWBLFMPYLBDM-NVXWUHKLSA-N 1 1 347.463 0.735 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000107056219 436606762 /nfs/dbraw/zinc/60/67/62/436606762.db2.gz GBFHMIDHDLKMQN-JSGCOSHPSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000107056219 436606765 /nfs/dbraw/zinc/60/67/65/436606765.db2.gz GBFHMIDHDLKMQN-JSGCOSHPSA-N 1 1 337.424 0.131 50 0 ECAAMO Nc1cc(N2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)nc(N)n1 ZINC000106948278 436607294 /nfs/dbraw/zinc/60/72/94/436607294.db2.gz TXYIFEIDEKYNPQ-CQSZACIVSA-N 1 1 346.410 0.853 50 0 ECAAMO Nc1cc(N2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)nc(N)n1 ZINC000106948278 436607298 /nfs/dbraw/zinc/60/72/98/436607298.db2.gz TXYIFEIDEKYNPQ-CQSZACIVSA-N 1 1 346.410 0.853 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CNC(=O)N2)C[C@H](C)O1 ZINC000107579864 436613519 /nfs/dbraw/zinc/61/35/19/436613519.db2.gz DQQAJLLSDPFPBT-DVOMOZLQSA-N 1 1 346.431 0.593 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CNC(=O)N2)C[C@H](C)O1 ZINC000107579864 436613522 /nfs/dbraw/zinc/61/35/22/436613522.db2.gz DQQAJLLSDPFPBT-DVOMOZLQSA-N 1 1 346.431 0.593 50 0 ECAAMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000057921824 436618446 /nfs/dbraw/zinc/61/84/46/436618446.db2.gz IZRQCGIFUHXIIG-RYUDHWBXSA-N 1 1 342.440 0.213 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000058157493 436620374 /nfs/dbraw/zinc/62/03/74/436620374.db2.gz JXRZQNPHZUXSKB-UHFFFAOYSA-N 1 1 347.419 0.886 50 0 ECAAMO Cc1[nH+]cc2c(N3CCN(CC(=O)N4CCCC4)CC3)nccn12 ZINC000065240123 436651818 /nfs/dbraw/zinc/65/18/18/436651818.db2.gz BJKVHDWPBGVPNP-UHFFFAOYSA-N 1 1 328.420 0.782 50 0 ECAAMO CCc1nc2c(c(=O)n1CC(N)=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153524 436653145 /nfs/dbraw/zinc/65/31/45/436653145.db2.gz CEOUMUSSOYHHEM-UHFFFAOYSA-N 1 1 326.400 0.849 50 0 ECAAMO NC(=O)NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000137079357 436656056 /nfs/dbraw/zinc/65/60/56/436656056.db2.gz RTFLETQBCDMUTM-ZDUSSCGKSA-N 1 1 336.367 0.491 50 0 ECAAMO NC(=O)NC(=O)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000137079357 436656059 /nfs/dbraw/zinc/65/60/59/436656059.db2.gz RTFLETQBCDMUTM-ZDUSSCGKSA-N 1 1 336.367 0.491 50 0 ECAAMO O=C(NCCNc1nc(N2CC[C@@H](O)C2)cc[nH+]1)c1ccncc1 ZINC000065384007 436657286 /nfs/dbraw/zinc/65/72/86/436657286.db2.gz LDVZYIPSJQETLW-CYBMUJFWSA-N 1 1 328.376 0.285 50 0 ECAAMO Cc1ccccc1[C@@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)[NH+](C)C ZINC000065398953 436657423 /nfs/dbraw/zinc/65/74/23/436657423.db2.gz YTRLIZBHOYEMDF-INIZCTEOSA-N 1 1 329.404 0.622 50 0 ECAAMO CCc1[nH]c(CN2CCN(c3cncc(C(N)=O)n3)CC2)c(C)[nH+]1 ZINC000065383741 436657812 /nfs/dbraw/zinc/65/78/12/436657812.db2.gz NJLJXVZHDARIEZ-UHFFFAOYSA-N 1 1 329.408 0.492 50 0 ECAAMO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000229554989 436715080 /nfs/dbraw/zinc/71/50/80/436715080.db2.gz PUZOTHFONLPDTE-ARFHVFGLSA-N 1 1 325.409 0.140 50 0 ECAAMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000229554989 436715084 /nfs/dbraw/zinc/71/50/84/436715084.db2.gz PUZOTHFONLPDTE-ARFHVFGLSA-N 1 1 325.409 0.140 50 0 ECAAMO Cc1ncccc1C(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000223228558 436705552 /nfs/dbraw/zinc/70/55/52/436705552.db2.gz JLUSUTVXIGUTIX-UHFFFAOYSA-N 1 1 332.448 0.605 50 0 ECAAMO CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000225399378 436709955 /nfs/dbraw/zinc/70/99/55/436709955.db2.gz GMWNRNKPWFDLLS-KBPBESRZSA-N 1 1 333.436 0.864 50 0 ECAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C[C@H]3CN(C)CC[N@@H+]3C1)C(=O)CCC2 ZINC000067447179 436713013 /nfs/dbraw/zinc/71/30/13/436713013.db2.gz BXRXUOOXYYXCEW-STQMWFEESA-N 1 1 330.432 0.960 50 0 ECAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C[C@H]3CN(C)CC[N@H+]3C1)C(=O)CCC2 ZINC000067447179 436713015 /nfs/dbraw/zinc/71/30/15/436713015.db2.gz BXRXUOOXYYXCEW-STQMWFEESA-N 1 1 330.432 0.960 50 0 ECAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C[C@H]3C[N@H+](C)CCN3C1)C(=O)CCC2 ZINC000067447179 436713018 /nfs/dbraw/zinc/71/30/18/436713018.db2.gz BXRXUOOXYYXCEW-STQMWFEESA-N 1 1 330.432 0.960 50 0 ECAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C[C@H]3C[N@@H+](C)CCN3C1)C(=O)CCC2 ZINC000067447179 436713021 /nfs/dbraw/zinc/71/30/21/436713021.db2.gz BXRXUOOXYYXCEW-STQMWFEESA-N 1 1 330.432 0.960 50 0 ECAAMO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCN3CCOCC3)C2)no1 ZINC000065433678 436660878 /nfs/dbraw/zinc/66/08/78/436660878.db2.gz OMBOVPUQTSLGRO-CQSZACIVSA-N 1 1 337.424 0.759 50 0 ECAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000067786292 436723388 /nfs/dbraw/zinc/72/33/88/436723388.db2.gz LXKULAABSKWQRM-OAHLLOKOSA-N 1 1 349.479 0.849 50 0 ECAAMO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cnc[nH]3)CC2)C1 ZINC000067786292 436723391 /nfs/dbraw/zinc/72/33/91/436723391.db2.gz LXKULAABSKWQRM-OAHLLOKOSA-N 1 1 349.479 0.849 50 0 ECAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cnc[nH]3)CC2)C1 ZINC000067786292 436723396 /nfs/dbraw/zinc/72/33/96/436723396.db2.gz LXKULAABSKWQRM-OAHLLOKOSA-N 1 1 349.479 0.849 50 0 ECAAMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000241157275 436759261 /nfs/dbraw/zinc/75/92/61/436759261.db2.gz JWISHKZGVJGQBN-FHLIZLRMSA-N 1 1 345.443 0.701 50 0 ECAAMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000241157275 436759264 /nfs/dbraw/zinc/75/92/64/436759264.db2.gz JWISHKZGVJGQBN-FHLIZLRMSA-N 1 1 345.443 0.701 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(Cn2ccnc2)CC1 ZINC000230578429 436716520 /nfs/dbraw/zinc/71/65/20/436716520.db2.gz MVHDJWNXWUQLNO-MRXNPFEDSA-N 1 1 347.463 0.721 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(Cn2ccnc2)CC1 ZINC000230578429 436716524 /nfs/dbraw/zinc/71/65/24/436716524.db2.gz MVHDJWNXWUQLNO-MRXNPFEDSA-N 1 1 347.463 0.721 50 0 ECAAMO CCN(C[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000229824763 436717483 /nfs/dbraw/zinc/71/74/83/436717483.db2.gz MTJSXOKIBDBAON-HZPDHXFCSA-N 1 1 346.435 0.261 50 0 ECAAMO CCN(C[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1)c1cccnn1 ZINC000229824763 436717487 /nfs/dbraw/zinc/71/74/87/436717487.db2.gz MTJSXOKIBDBAON-HZPDHXFCSA-N 1 1 346.435 0.261 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)o1 ZINC000069484945 436775703 /nfs/dbraw/zinc/77/57/03/436775703.db2.gz HPJKYWIAXQMVLG-NEPJUHHUSA-N 1 1 341.433 0.887 50 0 ECAAMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1CCO ZINC000249507027 436821846 /nfs/dbraw/zinc/82/18/46/436821846.db2.gz LEMNAYYOEKEORE-GDBMZVCRSA-N 1 1 325.453 0.155 50 0 ECAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000247447359 436794279 /nfs/dbraw/zinc/79/42/79/436794279.db2.gz SLQGURQMKZZOKB-VXGBXAGGSA-N 1 1 345.490 0.871 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2Cn2cncn2)C1 ZINC000247910315 436797963 /nfs/dbraw/zinc/79/79/63/436797963.db2.gz DGKCCXYJPIGYLJ-HOTGVXAUSA-N 1 1 348.451 0.260 50 0 ECAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCc3ccccc3C2)CCN1CCO ZINC000252537479 436837637 /nfs/dbraw/zinc/83/76/37/436837637.db2.gz LIOTXEDTCBVNMJ-MRXNPFEDSA-N 1 1 331.460 0.960 50 0 ECAAMO C[C@@H]1CN(CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1CCO ZINC000252537479 436837639 /nfs/dbraw/zinc/83/76/39/436837639.db2.gz LIOTXEDTCBVNMJ-MRXNPFEDSA-N 1 1 331.460 0.960 50 0 ECAAMO C[C@@H]1CN(CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1CCO ZINC000252537479 436837643 /nfs/dbraw/zinc/83/76/43/436837643.db2.gz LIOTXEDTCBVNMJ-MRXNPFEDSA-N 1 1 331.460 0.960 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000253388875 436840223 /nfs/dbraw/zinc/84/02/23/436840223.db2.gz GCQIRYNFXKYVCE-RYUDHWBXSA-N 1 1 334.420 0.361 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000253388875 436840227 /nfs/dbraw/zinc/84/02/27/436840227.db2.gz GCQIRYNFXKYVCE-RYUDHWBXSA-N 1 1 334.420 0.361 50 0 ECAAMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)nc1 ZINC000253417433 436843976 /nfs/dbraw/zinc/84/39/76/436843976.db2.gz LTUMTSQZVCWFKE-LBPRGKRZSA-N 1 1 341.433 0.629 50 0 ECAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)nc1 ZINC000253417433 436843981 /nfs/dbraw/zinc/84/39/81/436843981.db2.gz LTUMTSQZVCWFKE-LBPRGKRZSA-N 1 1 341.433 0.629 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000252485411 436833691 /nfs/dbraw/zinc/83/36/91/436833691.db2.gz GUEICVHHFRWLTJ-WZRBSPASSA-N 1 1 335.370 0.991 50 0 ECAAMO Cc1ccccc1CNC(=O)CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000252491486 436834188 /nfs/dbraw/zinc/83/41/88/436834188.db2.gz LNJDPDPSLYIHDJ-ROUUACIJSA-N 1 1 347.459 0.379 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000257365665 436876973 /nfs/dbraw/zinc/87/69/73/436876973.db2.gz FOPDIDDFAHHVNM-ZIAGYGMSSA-N 1 1 334.420 0.022 50 0 ECAAMO Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000170595488 436945887 /nfs/dbraw/zinc/94/58/87/436945887.db2.gz PMQOWAAKWWXSBI-VQIMIIECSA-N 1 1 347.459 0.932 50 0 ECAAMO Cc1sccc1CC(=O)N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000170605117 436946684 /nfs/dbraw/zinc/94/66/84/436946684.db2.gz WVMMTDVNHYGGMI-HNNXBMFYSA-N 1 1 325.478 0.666 50 0 ECAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000299754323 437109341 /nfs/dbraw/zinc/10/93/41/437109341.db2.gz WLJAXIZGDUXVRL-HZMBPMFUSA-N 1 1 337.449 0.895 50 0 ECAAMO Cc1cc(CN(C)c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)no1 ZINC000426381839 438053297 /nfs/dbraw/zinc/05/32/97/438053297.db2.gz YEMIUWUBGYXFFE-LBPRGKRZSA-N 1 1 333.392 1.318 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)c2ccc(-c3cnc(=O)[nH]c3)cc2)C[C@H]1CO ZINC000426388424 438057007 /nfs/dbraw/zinc/05/70/07/438057007.db2.gz QFRNSPUIGRGCBR-CABCVRRESA-N 1 1 328.372 0.644 50 0 ECAAMO OC1CN(c2nc(NCCc3cccnc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426412477 438057581 /nfs/dbraw/zinc/05/75/81/438057581.db2.gz UZUYVLFFSKGWPN-AWEZNQCLSA-N 1 1 341.415 1.211 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1 ZINC000426619971 438069241 /nfs/dbraw/zinc/06/92/41/438069241.db2.gz DZBNKBKNJVDVLS-CYBMUJFWSA-N 1 1 336.440 0.451 50 0 ECAAMO CN1CCC([N@H+]2CCC[C@H]2C(=O)NCc2cn3cccnc3n2)CC1 ZINC000426690724 438071131 /nfs/dbraw/zinc/07/11/31/438071131.db2.gz RPJAZJXWEBVJLA-INIZCTEOSA-N 1 1 342.447 0.904 50 0 ECAAMO CNC(=O)c1cc(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cn1C ZINC000583651169 439494714 /nfs/dbraw/zinc/49/47/14/439494714.db2.gz GIEBOFBNKBZUGV-AWEZNQCLSA-N 1 1 340.449 0.099 50 0 ECAAMO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000585120675 439633142 /nfs/dbraw/zinc/63/31/42/439633142.db2.gz AMYNWPOVYOUKCC-OWCLPIDISA-N 1 1 335.448 0.614 50 0 ECAAMO C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(N)=O ZINC000646550347 441072374 /nfs/dbraw/zinc/07/23/74/441072374.db2.gz FRUHGKTYFGXPJJ-KBMXLJTQSA-N 1 1 330.432 0.150 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000189854367 534844905 /nfs/dbraw/zinc/84/49/05/534844905.db2.gz OJGRMZMZHUJAKA-GJZGRUSLSA-N 1 1 344.415 0.645 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735609 545713503 /nfs/dbraw/zinc/71/35/03/545713503.db2.gz BTNFFAKMOQCQKA-BZUAXINKSA-N 1 1 337.464 0.957 50 0 ECAAMO CC[C@H]1CN(C(=O)C2=NN(CC)C(=O)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735688 545713763 /nfs/dbraw/zinc/71/37/63/545713763.db2.gz TTWIZJDLVSYKRA-ZFWWWQNUSA-N 1 1 336.436 0.554 50 0 ECAAMO O=C(c1cnccn1)N1CCC([N@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000670444026 548012412 /nfs/dbraw/zinc/01/24/12/548012412.db2.gz VFXZFNSYIWWLDE-CYBMUJFWSA-N 1 1 331.376 0.218 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000670463579 548016961 /nfs/dbraw/zinc/01/69/61/548016961.db2.gz FNNBGDUGVWRNCB-GFCCVEGCSA-N 1 1 338.433 0.810 50 0 ECAAMO CN(Cc1ccccc1F)C(=O)[C@]12C[N@@H+](CC(N)=O)C[C@H]1COCC2 ZINC000685940516 549726917 /nfs/dbraw/zinc/72/69/17/549726917.db2.gz NGOZVRLCDXBEHW-KBXCAEBGSA-N 1 1 349.406 0.608 50 0 ECAAMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186182 214082235 /nfs/dbraw/zinc/08/22/35/214082235.db2.gz JJKDTNRVPBDESV-UKRRQHHQSA-N 1 1 325.453 0.895 50 0 ECAAMO COCC[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C ZINC000051921687 214108130 /nfs/dbraw/zinc/10/81/30/214108130.db2.gz TXLYTIDBLZMFSX-UHFFFAOYSA-N 1 1 347.415 0.709 50 0 ECAAMO COCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C ZINC000051921687 214108132 /nfs/dbraw/zinc/10/81/32/214108132.db2.gz TXLYTIDBLZMFSX-UHFFFAOYSA-N 1 1 347.415 0.709 50 0 ECAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000052961289 214157701 /nfs/dbraw/zinc/15/77/01/214157701.db2.gz FEQMKICUZJTBDD-OCCSQVGLSA-N 1 1 349.431 0.558 50 0 ECAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000055393600 214317753 /nfs/dbraw/zinc/31/77/53/214317753.db2.gz FUGQWYDOHLQEMY-QGZVFWFLSA-N 1 1 345.443 0.675 50 0 ECAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000065589130 214969416 /nfs/dbraw/zinc/96/94/16/214969416.db2.gz FFYITWIAIYEBPZ-LLVKDONJSA-N 1 1 335.408 0.443 50 0 ECAAMO C[C@H]1C[N@H+](C2CCN(CC(=O)NCCCn3cccn3)CC2)CCO1 ZINC000066561534 215054643 /nfs/dbraw/zinc/05/46/43/215054643.db2.gz NQSCVWPBNDQCRB-INIZCTEOSA-N 1 1 349.479 0.575 50 0 ECAAMO COCC(=O)N1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)CCN2C ZINC000067673013 215176659 /nfs/dbraw/zinc/17/66/59/215176659.db2.gz LSWLLJQXAGRDSE-HNNXBMFYSA-N 1 1 325.453 0.278 50 0 ECAAMO COc1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)nc(OC)n1 ZINC000067756815 215204983 /nfs/dbraw/zinc/20/49/83/215204983.db2.gz ZSIXPWSEEMNDOT-UHFFFAOYSA-N 1 1 349.435 0.346 50 0 ECAAMO COc1cc(C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)nc(OC)n1 ZINC000067756815 215204985 /nfs/dbraw/zinc/20/49/85/215204985.db2.gz ZSIXPWSEEMNDOT-UHFFFAOYSA-N 1 1 349.435 0.346 50 0 ECAAMO COc1cc(C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)nc(OC)n1 ZINC000067756815 215204988 /nfs/dbraw/zinc/20/49/88/215204988.db2.gz ZSIXPWSEEMNDOT-UHFFFAOYSA-N 1 1 349.435 0.346 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453482 215310075 /nfs/dbraw/zinc/31/00/75/215310075.db2.gz QTHNQTNOUMVAJU-LBPRGKRZSA-N 1 1 344.419 0.919 50 0 ECAAMO COCCNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000036189872 213076167 /nfs/dbraw/zinc/07/61/67/213076167.db2.gz LDINGXKYYXHTJL-ZDUSSCGKSA-N 1 1 326.466 0.982 50 0 ECAAMO O=C(c1cn2c(n1)CNCC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000072161716 216050769 /nfs/dbraw/zinc/05/07/69/216050769.db2.gz GIWPHGYMMCCAGO-UHFFFAOYSA-N 1 1 339.443 0.987 50 0 ECAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCCC2)c(C)n1 ZINC000072162850 216051515 /nfs/dbraw/zinc/05/15/15/216051515.db2.gz UUGDPXHZYAORKG-HNNXBMFYSA-N 1 1 333.436 0.638 50 0 ECAAMO CN1CCN(C(=O)[C@H]2C[N@H+](Cc3cc4ccccc4o3)CCN2)CC1 ZINC000072169674 216060272 /nfs/dbraw/zinc/06/02/72/216060272.db2.gz RAOKXOJPQGGIRU-QGZVFWFLSA-N 1 1 342.443 0.981 50 0 ECAAMO CN1CCN(C(=O)[C@H]2C[N@@H+](Cc3cc4ccccc4o3)CCN2)CC1 ZINC000072169674 216060274 /nfs/dbraw/zinc/06/02/74/216060274.db2.gz RAOKXOJPQGGIRU-QGZVFWFLSA-N 1 1 342.443 0.981 50 0 ECAAMO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000072169165 216060874 /nfs/dbraw/zinc/06/08/74/216060874.db2.gz LREUHYNRPDBVQI-QGZVFWFLSA-N 1 1 330.388 0.921 50 0 ECAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000072300178 216137903 /nfs/dbraw/zinc/13/79/03/216137903.db2.gz QLLSOTCYIBQYJE-NWDGAFQWSA-N 1 1 340.449 0.371 50 0 ECAAMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000193998779 240396190 /nfs/dbraw/zinc/39/61/90/240396190.db2.gz IYTSNPWLWFKDGX-ZDUSSCGKSA-N 1 1 331.482 0.743 50 0 ECAAMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000193998779 240396198 /nfs/dbraw/zinc/39/61/98/240396198.db2.gz IYTSNPWLWFKDGX-ZDUSSCGKSA-N 1 1 331.482 0.743 50 0 ECAAMO COc1cc2c(cc1CNC(=O)C[N@@H+]1CCC[C@@H](O)C1)OCCO2 ZINC000219320569 241379066 /nfs/dbraw/zinc/37/90/66/241379066.db2.gz ILNATLZGWCTUJY-CYBMUJFWSA-N 1 1 336.388 0.539 50 0 ECAAMO COc1cc2c(cc1CNC(=O)C[N@H+]1CCC[C@@H](O)C1)OCCO2 ZINC000219320569 241379075 /nfs/dbraw/zinc/37/90/75/241379075.db2.gz ILNATLZGWCTUJY-CYBMUJFWSA-N 1 1 336.388 0.539 50 0 ECAAMO COc1ccc(OCc2cn(CC(=O)N3CC[NH+](C)CC3)nn2)cc1 ZINC000227162840 242125511 /nfs/dbraw/zinc/12/55/11/242125511.db2.gz XSGCCRQRMBGXQV-UHFFFAOYSA-N 1 1 345.403 0.640 50 0 ECAAMO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(N)=O ZINC000229697400 242192709 /nfs/dbraw/zinc/19/27/09/242192709.db2.gz HOIJGXVKVFBWTB-NEPJUHHUSA-N 1 1 326.422 0.029 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n(C)c1 ZINC000229736993 242194972 /nfs/dbraw/zinc/19/49/72/242194972.db2.gz PINPFNJLCVIFLF-OLZOCXBDSA-N 1 1 340.449 0.290 50 0 ECAAMO CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000230161818 242241267 /nfs/dbraw/zinc/24/12/67/242241267.db2.gz GMWNRNKPWFDLLS-ZIAGYGMSSA-N 1 1 333.436 0.864 50 0 ECAAMO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244646863 243049390 /nfs/dbraw/zinc/04/93/90/243049390.db2.gz GQLUXMZQTDQPHB-IAGOWNOFSA-N 1 1 343.431 0.716 50 0 ECAAMO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244646863 243049395 /nfs/dbraw/zinc/04/93/95/243049395.db2.gz GQLUXMZQTDQPHB-IAGOWNOFSA-N 1 1 343.431 0.716 50 0 ECAAMO Cc1ccc(C[N@H+](C)CC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000244691631 243056731 /nfs/dbraw/zinc/05/67/31/243056731.db2.gz JGGIUHURCRAOSL-ROUUACIJSA-N 1 1 347.459 0.331 50 0 ECAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000244691631 243056735 /nfs/dbraw/zinc/05/67/35/243056735.db2.gz JGGIUHURCRAOSL-ROUUACIJSA-N 1 1 347.459 0.331 50 0 ECAAMO Cc1ccc(-c2ccc(=O)n(CC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000020723476 212165720 /nfs/dbraw/zinc/16/57/20/212165720.db2.gz VONKLJWRJVFOST-UHFFFAOYSA-N 1 1 326.400 0.993 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000020622002 212157386 /nfs/dbraw/zinc/15/73/86/212157386.db2.gz UKJUZNIHZQOENO-UHFFFAOYSA-N 1 1 326.784 0.512 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C[C@H](C)O ZINC000247154688 243382503 /nfs/dbraw/zinc/38/25/03/243382503.db2.gz LVOCNAWHSVOKAN-SGMGOOAPSA-N 1 1 326.441 0.140 50 0 ECAAMO C[N@@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1CCO ZINC000020207238 212112778 /nfs/dbraw/zinc/11/27/78/212112778.db2.gz ROEJFSUPCOBXGN-ZDUSSCGKSA-N 1 1 326.466 0.478 50 0 ECAAMO C[N@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1CCO ZINC000020207238 212112781 /nfs/dbraw/zinc/11/27/81/212112781.db2.gz ROEJFSUPCOBXGN-ZDUSSCGKSA-N 1 1 326.466 0.478 50 0 ECAAMO CN1CCc2c3ccccc3n(C[C@@H](O)C[NH+]3CCOCC3)c2C1=O ZINC000019910861 212083005 /nfs/dbraw/zinc/08/30/05/212083005.db2.gz VATIEHMBFYAPDR-AWEZNQCLSA-N 1 1 343.427 0.963 50 0 ECAAMO CN1CCc2c3ccccc3n(C[C@H](O)C[NH+]3CCOCC3)c2C1=O ZINC000019910864 212082612 /nfs/dbraw/zinc/08/26/12/212082612.db2.gz VATIEHMBFYAPDR-CQSZACIVSA-N 1 1 343.427 0.963 50 0 ECAAMO CCC(=O)N[C@@H]1CCCN(CC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000079354100 217213595 /nfs/dbraw/zinc/21/35/95/217213595.db2.gz JCGRMEHCWBGDMU-IYBDPMFKSA-N 1 1 338.496 0.968 50 0 ECAAMO CCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCC[C@H](NC(=O)CC)C2)C1 ZINC000079354100 217213598 /nfs/dbraw/zinc/21/35/98/217213598.db2.gz JCGRMEHCWBGDMU-IYBDPMFKSA-N 1 1 338.496 0.968 50 0 ECAAMO CCC(=O)N[C@@H]1CCC[N@H+](CCN2CCC[C@H](NC(=O)CC)C2)C1 ZINC000079354100 217213604 /nfs/dbraw/zinc/21/36/04/217213604.db2.gz JCGRMEHCWBGDMU-IYBDPMFKSA-N 1 1 338.496 0.968 50 0 ECAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)[nH]c(C)n3)C2)C1=O ZINC000091468634 218010801 /nfs/dbraw/zinc/01/08/01/218010801.db2.gz GAQASFFAOPIPJX-KRWDZBQOSA-N 1 1 334.420 0.539 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCn2ccccc2=O)C[C@@]12CCNC(=O)CC2 ZINC000091624586 218033001 /nfs/dbraw/zinc/03/30/01/218033001.db2.gz RTNQPJZSZYGHDY-GOSISDBHSA-N 1 1 346.431 0.051 50 0 ECAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000091548046 218020738 /nfs/dbraw/zinc/02/07/38/218020738.db2.gz XERRTJUEOGKHQR-OAHLLOKOSA-N 1 1 335.452 0.139 50 0 ECAAMO O=C1N(C2CCOCC2)CCC[C@]12CC[N@@H+](CCCn1cnnn1)C2 ZINC000091594206 218028280 /nfs/dbraw/zinc/02/82/80/218028280.db2.gz ZSQQGMGKCQMEHF-QGZVFWFLSA-N 1 1 348.451 0.557 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1CO ZINC000091604109 218030365 /nfs/dbraw/zinc/03/03/65/218030365.db2.gz OUOIGBTXMOHREO-ZIAGYGMSSA-N 1 1 326.824 0.945 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2c(C)cccc2=O)C[N@@H+]1CC ZINC000091604193 218030448 /nfs/dbraw/zinc/03/04/48/218030448.db2.gz JICQTOVQADVVIK-GJZGRUSLSA-N 1 1 348.447 0.262 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2c(C)cccc2=O)C[N@H+]1CC ZINC000091604193 218030450 /nfs/dbraw/zinc/03/04/50/218030450.db2.gz JICQTOVQADVVIK-GJZGRUSLSA-N 1 1 348.447 0.262 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091737447 218056196 /nfs/dbraw/zinc/05/61/96/218056196.db2.gz CWBBGEXRHLOMAQ-CYGHRXIMSA-N 1 1 347.459 0.800 50 0 ECAAMO COc1c[nH]c(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1=O ZINC000091779091 218064104 /nfs/dbraw/zinc/06/41/04/218064104.db2.gz OGELGXUABYZPKC-GOSISDBHSA-N 1 1 348.447 0.512 50 0 ECAAMO COc1c(C)cnc(CN(C)C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1C ZINC000092003123 218101876 /nfs/dbraw/zinc/10/18/76/218101876.db2.gz DQBVSYLPGAMPBU-AWEZNQCLSA-N 1 1 348.447 0.863 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@@H]1CO ZINC000091966117 218096080 /nfs/dbraw/zinc/09/60/80/218096080.db2.gz CRLFYRCMOVBTJC-ZIAGYGMSSA-N 1 1 342.386 0.960 50 0 ECAAMO Cc1cc2c(cc1NC(=O)C[NH+]1CCCC1)n(C)c(=O)c(=O)n2C ZINC000009879937 211130167 /nfs/dbraw/zinc/13/01/67/211130167.db2.gz DPXWUFWNHGBDDV-UHFFFAOYSA-N 1 1 330.388 0.580 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CN(C(=O)COC)C[C@@H]1C1CC1 ZINC000095353991 218287738 /nfs/dbraw/zinc/28/77/38/218287738.db2.gz QUNNFKCCHYHMPG-CABCVRRESA-N 1 1 348.447 0.835 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)c3ccn[nH]3)CC[N@H+]2C)CCC1=O ZINC000095362922 218294941 /nfs/dbraw/zinc/29/49/41/218294941.db2.gz PYKGTLBCVOKLDO-KRWDZBQOSA-N 1 1 349.435 0.195 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)c3cc[nH]n3)CC[N@@H+]2C)CCC1=O ZINC000095362922 218294942 /nfs/dbraw/zinc/29/49/42/218294942.db2.gz PYKGTLBCVOKLDO-KRWDZBQOSA-N 1 1 349.435 0.195 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)c3cc[nH]n3)CC[N@H+]2C)CCC1=O ZINC000095362922 218294945 /nfs/dbraw/zinc/29/49/45/218294945.db2.gz PYKGTLBCVOKLDO-KRWDZBQOSA-N 1 1 349.435 0.195 50 0 ECAAMO CC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095438371 218382225 /nfs/dbraw/zinc/38/22/25/218382225.db2.gz CSEQONISGUVYND-SJORKVTESA-N 1 1 338.496 0.918 50 0 ECAAMO CN1CC[N@@H+](C)[C@H](CC(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000097272404 219008149 /nfs/dbraw/zinc/00/81/49/219008149.db2.gz JRLJCNYTTLQHME-CQSZACIVSA-N 1 1 333.436 0.482 50 0 ECAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)N1CCC(Oc2ncccn2)CC1 ZINC000097272404 219008151 /nfs/dbraw/zinc/00/81/51/219008151.db2.gz JRLJCNYTTLQHME-CQSZACIVSA-N 1 1 333.436 0.482 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)N1CCC(Oc2ncccn2)CC1 ZINC000097272404 219008152 /nfs/dbraw/zinc/00/81/52/219008152.db2.gz JRLJCNYTTLQHME-CQSZACIVSA-N 1 1 333.436 0.482 50 0 ECAAMO O=C(c1cccn2cnnc12)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000299770412 258083716 /nfs/dbraw/zinc/08/37/16/258083716.db2.gz VLBKWWNILYBSBG-CQSZACIVSA-N 1 1 329.404 0.791 50 0 ECAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C ZINC000299773152 258085177 /nfs/dbraw/zinc/08/51/77/258085177.db2.gz BTWGSCUBHYDGDB-OAHLLOKOSA-N 1 1 334.420 0.597 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)NCCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000299761570 258078359 /nfs/dbraw/zinc/07/83/59/258078359.db2.gz KWXKTLQLBLLZAJ-UHFFFAOYSA-N 1 1 333.411 0.998 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@H]2C1 ZINC000285942093 264352879 /nfs/dbraw/zinc/35/28/79/264352879.db2.gz VRTRGCXAQIVGPD-HOTGVXAUSA-N 1 1 344.415 0.761 50 0 ECAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000069667917 435958060 /nfs/dbraw/zinc/95/80/60/435958060.db2.gz HXQAFJWBAJPOBU-HOTGVXAUSA-N 1 1 341.415 0.877 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000069707032 435958512 /nfs/dbraw/zinc/95/85/12/435958512.db2.gz FWCGCNMVDGQCDP-MRXNPFEDSA-N 1 1 348.451 0.050 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)n1 ZINC000069740208 435963248 /nfs/dbraw/zinc/96/32/48/435963248.db2.gz KLGRTOPJBGFING-DLBZAZTESA-N 1 1 337.468 0.300 50 0 ECAAMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1-n1cnnn1 ZINC000069775443 435965471 /nfs/dbraw/zinc/96/54/71/435965471.db2.gz UBPKRZPSHBFSJF-CHWSQXEVSA-N 1 1 328.376 0.255 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000069815294 435967367 /nfs/dbraw/zinc/96/73/67/435967367.db2.gz XFCFWPLJRGQQTJ-CQSZACIVSA-N 1 1 346.435 0.205 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000069818357 435968073 /nfs/dbraw/zinc/96/80/73/435968073.db2.gz DBYUQLLHMHQHOW-GJZGRUSLSA-N 1 1 331.482 0.743 50 0 ECAAMO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069844601 435969919 /nfs/dbraw/zinc/96/99/19/435969919.db2.gz DOKUPECKXMMGOH-LSDHHAIUSA-N 1 1 328.453 0.876 50 0 ECAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000069898255 435974085 /nfs/dbraw/zinc/97/40/85/435974085.db2.gz KGRGWQAZBCWVHQ-CABCVRRESA-N 1 1 334.420 0.059 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)O1 ZINC000069918654 435976106 /nfs/dbraw/zinc/97/61/06/435976106.db2.gz JRQHJWKLLJSLQZ-HZSPNIEDSA-N 1 1 331.482 0.947 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000069922814 435977640 /nfs/dbraw/zinc/97/76/40/435977640.db2.gz XLAPZZCGOXTJJA-CABCVRRESA-N 1 1 337.439 0.871 50 0 ECAAMO CCN1N=C(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC1=O ZINC000069946337 435978305 /nfs/dbraw/zinc/97/83/05/435978305.db2.gz LLVHHUHBAQWXLP-CYBMUJFWSA-N 1 1 325.409 0.885 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCCN(C(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069951868 435980441 /nfs/dbraw/zinc/98/04/41/435980441.db2.gz XEXIPXZFUHISOR-KFWWJZLASA-N 1 1 340.468 0.733 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000069969179 435981267 /nfs/dbraw/zinc/98/12/67/435981267.db2.gz SHIJPCMETGGPQZ-MRXNPFEDSA-N 1 1 335.448 0.834 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000069969179 435981273 /nfs/dbraw/zinc/98/12/73/435981273.db2.gz SHIJPCMETGGPQZ-MRXNPFEDSA-N 1 1 335.448 0.834 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@H](O)CN2CCOCC2)n1 ZINC000069600888 435952009 /nfs/dbraw/zinc/95/20/09/435952009.db2.gz XMHZFIFYPFBAMF-IAGOWNOFSA-N 1 1 337.468 0.443 50 0 ECAAMO COc1ccc([C@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000069665597 435956388 /nfs/dbraw/zinc/95/63/88/435956388.db2.gz OAUOCDHNRKNYHW-GOSISDBHSA-N 1 1 347.459 0.969 50 0 ECAAMO O[C@@H](C[NH+]1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 ZINC000069665470 435956580 /nfs/dbraw/zinc/95/65/80/435956580.db2.gz NVZBWYHTWAJUFM-AWEZNQCLSA-N 1 1 325.376 0.375 50 0 ECAAMO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCC[N@H+]1CC1CC1 ZINC000071738763 436009066 /nfs/dbraw/zinc/00/90/66/436009066.db2.gz XHFDGFBXZDFEGR-CQSZACIVSA-N 1 1 334.420 0.646 50 0 ECAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC000007425488 436013791 /nfs/dbraw/zinc/01/37/91/436013791.db2.gz TXAPILLRBRAPAI-LLVKDONJSA-N 1 1 344.419 0.716 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2nnc(-c3cccc(F)c3)n2)C[C@H](C)O1 ZINC000071832855 436015690 /nfs/dbraw/zinc/01/56/90/436015690.db2.gz VDZNNQYJHLHZDE-ZOWXZIJZSA-N 1 1 335.383 0.949 50 0 ECAAMO CCCCN(C)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000071850116 436018552 /nfs/dbraw/zinc/01/85/52/436018552.db2.gz HBMZJKMOTYFXDM-HNNXBMFYSA-N 1 1 334.530 0.825 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1 ZINC000071864719 436019514 /nfs/dbraw/zinc/01/95/14/436019514.db2.gz UDWWXNXPLNZSKE-UHFFFAOYSA-N 1 1 329.404 0.939 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1 ZINC000071864719 436019521 /nfs/dbraw/zinc/01/95/21/436019521.db2.gz UDWWXNXPLNZSKE-UHFFFAOYSA-N 1 1 329.404 0.939 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000071881829 436023969 /nfs/dbraw/zinc/02/39/69/436023969.db2.gz REFGWUPUBYSTQR-AWEZNQCLSA-N 1 1 335.404 0.079 50 0 ECAAMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@H](O)Cn3cccn3)C2)no1 ZINC000071882288 436024381 /nfs/dbraw/zinc/02/43/81/436024381.db2.gz ACFCQIQUIMDXAY-CABCVRRESA-N 1 1 348.451 0.786 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(Cc2csc(CC(=O)N(C)C)n2)C[C@H]1C ZINC000071877510 436024635 /nfs/dbraw/zinc/02/46/35/436024635.db2.gz BJRYVJZLSYPEOI-CHWSQXEVSA-N 1 1 340.493 0.661 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000071892874 436027905 /nfs/dbraw/zinc/02/79/05/436027905.db2.gz GKYLMJXLZOQCAC-CYBMUJFWSA-N 1 1 336.402 0.767 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008395500 436028532 /nfs/dbraw/zinc/02/85/32/436028532.db2.gz DMTFYULSARXERR-CYBMUJFWSA-N 1 1 327.377 0.536 50 0 ECAAMO COc1cccc(C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c1OC ZINC000008747816 436031007 /nfs/dbraw/zinc/03/10/07/436031007.db2.gz HJGTVZNXHDFJEV-UHFFFAOYSA-N 1 1 333.388 0.733 50 0 ECAAMO COc1cccc(C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)c1OC ZINC000008747816 436031011 /nfs/dbraw/zinc/03/10/11/436031011.db2.gz HJGTVZNXHDFJEV-UHFFFAOYSA-N 1 1 333.388 0.733 50 0 ECAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000072234552 436037042 /nfs/dbraw/zinc/03/70/42/436037042.db2.gz FOPDIDDFAHHVNM-KBPBESRZSA-N 1 1 334.420 0.022 50 0 ECAAMO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(OCC(N)=O)c1)CC2 ZINC000072302448 436043693 /nfs/dbraw/zinc/04/36/93/436043693.db2.gz ZLZLBRNIXSEVCX-UHFFFAOYSA-N 1 1 328.372 0.203 50 0 ECAAMO O=C([C@@H]1CSCCC(=O)N1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000075171357 436154560 /nfs/dbraw/zinc/15/45/60/436154560.db2.gz DTUMPRJXYKSTHI-INIZCTEOSA-N 1 1 347.484 0.995 50 0 ECAAMO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000074171073 436112250 /nfs/dbraw/zinc/11/22/50/436112250.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 1 1 325.501 0.606 50 0 ECAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000074171073 436112252 /nfs/dbraw/zinc/11/22/52/436112252.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 1 1 325.501 0.606 50 0 ECAAMO CC(=O)NCCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026259060 436160187 /nfs/dbraw/zinc/16/01/87/436160187.db2.gz UKDNXFTVINZDRL-ZDUSSCGKSA-N 1 1 344.419 0.512 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)CC1 ZINC000076055804 436189791 /nfs/dbraw/zinc/18/97/91/436189791.db2.gz WZWSEQRNUKMNGF-WBVHZDCISA-N 1 1 336.480 0.483 50 0 ECAAMO CC[C@@]1(O)CCN(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)C[C@H]1O ZINC000077542443 436243242 /nfs/dbraw/zinc/24/32/42/436243242.db2.gz PMWBDUICORHDAX-CRAIPNDOSA-N 1 1 348.447 0.181 50 0 ECAAMO Cn1nnc2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccc21 ZINC000078788700 436277776 /nfs/dbraw/zinc/27/77/76/436277776.db2.gz YMZHOFNBXDFZSM-JKSUJKDBSA-N 1 1 329.404 0.640 50 0 ECAAMO Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000044894944 436350180 /nfs/dbraw/zinc/35/01/80/436350180.db2.gz KKHWUFLAIGYBEK-CQSZACIVSA-N 1 1 339.461 0.789 50 0 ECAAMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000043303267 436329954 /nfs/dbraw/zinc/32/99/54/436329954.db2.gz YKLHXVSSHZVPNG-VHSXEESVSA-N 1 1 348.378 0.727 50 0 ECAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000084026887 436377679 /nfs/dbraw/zinc/37/76/79/436377679.db2.gz GTBFJNXYCDPEHR-NWDGAFQWSA-N 1 1 346.387 0.496 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000045890765 436380040 /nfs/dbraw/zinc/38/00/40/436380040.db2.gz OSISRZVUGVVAAX-UHFFFAOYSA-N 1 1 328.372 0.208 50 0 ECAAMO CC[C@@H]1CN(C(=O)COCc2nc(C)no2)C[C@H]1[NH+]1CCOCC1 ZINC000084735865 436383998 /nfs/dbraw/zinc/38/39/98/436383998.db2.gz VFXFXBZDMKQJKA-ZIAGYGMSSA-N 1 1 338.408 0.464 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000084735729 436384632 /nfs/dbraw/zinc/38/46/32/436384632.db2.gz KJAARJLGOCTSAX-RBSFLKMASA-N 1 1 338.452 0.346 50 0 ECAAMO COc1cccc(CO[C@H](C)C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000046747255 436399528 /nfs/dbraw/zinc/39/95/28/436399528.db2.gz YBEPADUJXPMYFL-CYBMUJFWSA-N 1 1 349.431 0.666 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000046961674 436405916 /nfs/dbraw/zinc/40/59/16/436405916.db2.gz SXRNQHRUZVJPPY-CQSZACIVSA-N 1 1 345.509 0.896 50 0 ECAAMO Cc1noc(C)c1CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000046970832 436406403 /nfs/dbraw/zinc/40/64/03/436406403.db2.gz LTEGNBSQIHLKGK-UHFFFAOYSA-N 1 1 348.447 0.847 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cc(-c3ccccn3)no2)C1 ZINC000091254613 436448337 /nfs/dbraw/zinc/44/83/37/436448337.db2.gz JKRKKQHCGMHQTM-LBPRGKRZSA-N 1 1 343.387 0.550 50 0 ECAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)CO)CC1 ZINC000091319920 436449384 /nfs/dbraw/zinc/44/93/84/436449384.db2.gz LURDEFBDOJKKHJ-UHFFFAOYSA-N 1 1 335.452 0.889 50 0 ECAAMO Cn1nc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000048345635 436450764 /nfs/dbraw/zinc/45/07/64/436450764.db2.gz MVDVZEKQGJYZPN-UHFFFAOYSA-N 1 1 329.404 0.191 50 0 ECAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091755720 436459133 /nfs/dbraw/zinc/45/91/33/436459133.db2.gz WJUJAJMITRSNFL-DZGCQCFKSA-N 1 1 327.392 0.191 50 0 ECAAMO Cc1cccc([C@@H](C(=O)NCCCN2CCNC(=O)C2)[NH+](C)C)c1 ZINC000091830581 436460234 /nfs/dbraw/zinc/46/02/34/436460234.db2.gz XODDYDOEEQNWMX-KRWDZBQOSA-N 1 1 332.448 0.536 50 0 ECAAMO CN(C[C@@H]1C[N@H+](CCCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000089755629 436415468 /nfs/dbraw/zinc/41/54/68/436415468.db2.gz PEAPDFPPWYMQTB-MRXNPFEDSA-N 1 1 330.436 0.980 50 0 ECAAMO CN(C[C@@H]1C[N@@H+](CCCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000089755629 436415471 /nfs/dbraw/zinc/41/54/71/436415471.db2.gz PEAPDFPPWYMQTB-MRXNPFEDSA-N 1 1 330.436 0.980 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc3nccnc3n2)CC1 ZINC000089794174 436417631 /nfs/dbraw/zinc/41/76/31/436417631.db2.gz DBNCXNCBQPWVRK-AWEZNQCLSA-N 1 1 326.404 0.943 50 0 ECAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834796 436417948 /nfs/dbraw/zinc/41/79/48/436417948.db2.gz XDJZNWRCXVDQJU-RDJZCZTQSA-N 1 1 343.427 0.767 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(Cc3ccccn3)CC2)C1 ZINC000096140601 436515037 /nfs/dbraw/zinc/51/50/37/436515037.db2.gz KHEMKAWGHRBMLW-VQIMIIECSA-N 1 1 343.475 0.267 50 0 ECAAMO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000095522242 436498735 /nfs/dbraw/zinc/49/87/35/436498735.db2.gz WQNQGOCETBPJJY-JTQLQIEISA-N 1 1 326.364 0.419 50 0 ECAAMO CN(C)c1nc(N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)ncc1F ZINC000095509593 436498825 /nfs/dbraw/zinc/49/88/25/436498825.db2.gz LXMMDBMOVVNXGU-LLVKDONJSA-N 1 1 347.398 0.748 50 0 ECAAMO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000095980411 436501590 /nfs/dbraw/zinc/50/15/90/436501590.db2.gz PTRALTAADZUOLM-QGZVFWFLSA-N 1 1 341.411 0.736 50 0 ECAAMO Cn1nnnc1COc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000096101408 436512403 /nfs/dbraw/zinc/51/24/03/436512403.db2.gz LWXBPSANRUBHKS-UHFFFAOYSA-N 1 1 330.392 0.106 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000096281097 436530702 /nfs/dbraw/zinc/53/07/02/436530702.db2.gz IWHFMXONMYLPDF-HNNXBMFYSA-N 1 1 348.447 0.590 50 0 ECAAMO Cc1cnc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000096475980 436531788 /nfs/dbraw/zinc/53/17/88/436531788.db2.gz TTWIPOSSXPBZQU-INIZCTEOSA-N 1 1 326.400 0.934 50 0 ECAAMO CN(C)c1ccccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000096441418 436532204 /nfs/dbraw/zinc/53/22/04/436532204.db2.gz NRQVJLUEDSPRGC-CYBMUJFWSA-N 1 1 326.466 0.758 50 0 ECAAMO Cn1cc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)[NH+](C)C)cn1 ZINC000096410779 436533182 /nfs/dbraw/zinc/53/31/82/436533182.db2.gz NGTHSPHLLDQUOI-AWEZNQCLSA-N 1 1 333.367 0.917 50 0 ECAAMO CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000098055878 436545954 /nfs/dbraw/zinc/54/59/54/436545954.db2.gz XAQUUVAAIRUELW-XURPKSDJSA-N 1 1 337.445 0.770 50 0 ECAAMO NC(=O)CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058217934 436621901 /nfs/dbraw/zinc/62/19/01/436621901.db2.gz CJFFMJWRGFEMKQ-MRXNPFEDSA-N 1 1 331.464 0.791 50 0 ECAAMO C[C@H](C(=O)Nc1ncccn1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781238 436602161 /nfs/dbraw/zinc/60/21/61/436602161.db2.gz XWCQHFWNFJLUBN-UONOGXRCSA-N 1 1 335.452 0.828 50 0 ECAAMO COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000057553403 436612946 /nfs/dbraw/zinc/61/29/46/436612946.db2.gz ZRVLHOCAIOWPBU-CYBMUJFWSA-N 1 1 347.415 0.787 50 0 ECAAMO CC(=O)N1CC[NH+]([C@H]2CN(CC(=O)Nc3cc(C)on3)C[C@H]2C)CC1 ZINC000107584116 436613404 /nfs/dbraw/zinc/61/34/04/436613404.db2.gz VIWWIEDNTZKQNT-DOMZBBRYSA-N 1 1 349.435 0.406 50 0 ECAAMO CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CCCN3CCCC[C@@H]32)CC1 ZINC000063835494 436646733 /nfs/dbraw/zinc/64/67/33/436646733.db2.gz ZYZPJDQTEGUERK-HZPDHXFCSA-N 1 1 345.509 0.379 50 0 ECAAMO Cc1cc(C)n(CCNc2nc(N3CC[C@H](O)C3)cc[nH+]2)c(=O)n1 ZINC000065397904 436658201 /nfs/dbraw/zinc/65/82/01/436658201.db2.gz GLQFZRMANMASRX-ZDUSSCGKSA-N 1 1 330.392 0.333 50 0 ECAAMO CCCn1nnnc1CN1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000229306079 436714455 /nfs/dbraw/zinc/71/44/55/436714455.db2.gz RLUCYJSOEPIVQC-HIFRSBDPSA-N 1 1 335.456 0.068 50 0 ECAAMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000240871491 436759134 /nfs/dbraw/zinc/75/91/34/436759134.db2.gz IKXLZWXRJWKKTD-CAOSSQGBSA-N 1 1 326.437 0.628 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)COC[C@@H]2CCCO2)n1 ZINC000229554505 436715570 /nfs/dbraw/zinc/71/55/70/436715570.db2.gz KLXFJJKQNSQKKZ-BBWFWOEESA-N 1 1 338.452 0.916 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2cnccn2)CC1 ZINC000253428001 436845901 /nfs/dbraw/zinc/84/59/01/436845901.db2.gz FXTHUMKBSQXYSW-OAHLLOKOSA-N 1 1 331.420 0.174 50 0 ECAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C12CCOCC2 ZINC000257175416 436857208 /nfs/dbraw/zinc/85/72/08/436857208.db2.gz AWADOYWBHOTILI-INIZCTEOSA-N 1 1 346.431 0.961 50 0 ECAAMO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1CCN1CCOCC1 ZINC000177358034 437181514 /nfs/dbraw/zinc/18/15/14/437181514.db2.gz PCUXRJAJDLRVSN-HNNXBMFYSA-N 1 1 339.386 0.988 50 0 ECAAMO C[C@@H]1C[NH+](CCC2CCN(CCNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000177490180 437188148 /nfs/dbraw/zinc/18/81/48/437188148.db2.gz GTCJHNKNRYMVKP-HUUCEWRRSA-N 1 1 347.525 0.747 50 0 ECAAMO C[N@H+]1CCCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000426370482 438053909 /nfs/dbraw/zinc/05/39/09/438053909.db2.gz LANKXCAYDHCCJD-UHFFFAOYSA-N 1 1 340.449 0.224 50 0 ECAAMO Cc1ccc(NCCCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)nc1 ZINC000426386893 438055826 /nfs/dbraw/zinc/05/58/26/438055826.db2.gz LYOOMDISUJKZTK-ZDUSSCGKSA-N 1 1 328.420 0.854 50 0 ECAAMO COCC[N@H+]1CCC[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000426431159 438058925 /nfs/dbraw/zinc/05/89/25/438058925.db2.gz VGWLKZDMTGRJQI-VIFPVBQESA-N 1 1 335.330 0.798 50 0 ECAAMO COCc1cc(CNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000426493253 438061875 /nfs/dbraw/zinc/06/18/75/438061875.db2.gz SAQNFESXMOSHPY-LBPRGKRZSA-N 1 1 332.408 0.536 50 0 ECAAMO CS(=O)(=O)NCc1cc2n(n1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000426621569 438069027 /nfs/dbraw/zinc/06/90/27/438069027.db2.gz GTGFWFOOPUOYIA-UHFFFAOYSA-N 1 1 346.456 0.915 50 0 ECAAMO CS(=O)(=O)NCc1cc2n(n1)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000426621569 438069032 /nfs/dbraw/zinc/06/90/32/438069032.db2.gz GTGFWFOOPUOYIA-UHFFFAOYSA-N 1 1 346.456 0.915 50 0 ECAAMO Cc1nnc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)[nH]1 ZINC000426734566 438073544 /nfs/dbraw/zinc/07/35/44/438073544.db2.gz VWDUCFIUZXSTHM-HUUCEWRRSA-N 1 1 344.419 0.192 50 0 ECAAMO Cc1nnc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)[nH]1 ZINC000426734566 438073550 /nfs/dbraw/zinc/07/35/50/438073550.db2.gz VWDUCFIUZXSTHM-HUUCEWRRSA-N 1 1 344.419 0.192 50 0 ECAAMO CC[N@H+]1CCN(C(=O)COCc2ocnc2C(=O)OC)[C@@H](C)C1 ZINC000521396412 439115038 /nfs/dbraw/zinc/11/50/38/439115038.db2.gz VJAOAAJFIIPHJH-NSHDSACASA-N 1 1 325.365 0.530 50 0 ECAAMO CN(C)C(=O)C[NH+]1CCC(CNS(=O)(=O)N2CCCCC2)CC1 ZINC000583651024 439494544 /nfs/dbraw/zinc/49/45/44/439494544.db2.gz DNMLAEGXJAIZLY-UHFFFAOYSA-N 1 1 346.497 0.107 50 0 ECAAMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC(N)=O ZINC000229713633 536506863 /nfs/dbraw/zinc/50/68/63/536506863.db2.gz OCZZMJNLMCWUHN-KGLIPLIRSA-N 1 1 347.415 0.916 50 0 ECAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)o1 ZINC000084258845 545709835 /nfs/dbraw/zinc/70/98/35/545709835.db2.gz INHMGBILXPIHLO-OAHLLOKOSA-N 1 1 336.436 0.738 50 0 ECAAMO Cn1nccc1CCn1cc(CN2CC[N@H+]3CCCC[C@H]3C2)nn1 ZINC000685943625 549729378 /nfs/dbraw/zinc/72/93/78/549729378.db2.gz GNACKOFAWASPJM-KRWDZBQOSA-N 1 1 329.452 0.924 50 0 ECAAMO O=C(CC[N@@H+]1CC[C@](O)(Cn2ccnn2)C1)Nc1cccc(F)c1 ZINC000585081575 586779299 /nfs/dbraw/zinc/77/92/99/586779299.db2.gz QHDHHIAMYBIIIK-MRXNPFEDSA-N 1 1 333.367 0.883 50 0 ECAAMO CNC(=O)[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C1CC[NH+](C)CC1 ZINC000169781430 609745758 /nfs/dbraw/zinc/74/57/58/609745758.db2.gz FSWLIOJDSFCMTM-UONOGXRCSA-N 1 1 333.436 0.494 50 0 ECAAMO COc1ccc(C(=O)N2CC[C@@H]3COCC[N@@H+](C)[C@@H]3C2)c(OC)n1 ZINC000169784289 609746173 /nfs/dbraw/zinc/74/61/73/609746173.db2.gz MZACNNNLZIOWMK-TZMCWYRMSA-N 1 1 335.404 0.892 50 0 ECAAMO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]2C(N)=O)[nH]1 ZINC000169791255 609747213 /nfs/dbraw/zinc/74/72/13/609747213.db2.gz MRFQBQXIZQQFMN-ZIAGYGMSSA-N 1 1 327.388 0.749 50 0 ECAAMO COc1ccc2oc(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc2c1 ZINC000952972854 612139375 /nfs/dbraw/zinc/13/93/75/612139375.db2.gz QITRCGDKOMMXQQ-NSHDSACASA-N 1 1 346.387 0.650 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1N1CCOCC1 ZINC000020599779 740189939 /nfs/dbraw/zinc/18/99/39/740189939.db2.gz WWKRREFUFVEVBI-ROUUACIJSA-N 1 1 328.416 0.750 50 0 ECAAMO CC[N@H+]1CCn2c(nnc2[C@@H]2C[C@@H](O)CN2Cc2ccncc2)C1 ZINC000675010560 741326852 /nfs/dbraw/zinc/32/68/52/741326852.db2.gz JVTJBLYWHWSBGQ-CABCVRRESA-N 1 1 328.420 0.817 50 0 ECAAMO NC(=O)C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000052844021 214151042 /nfs/dbraw/zinc/15/10/42/214151042.db2.gz YEDVXWMXKLMKBP-OAHLLOKOSA-N 1 1 331.416 0.836 50 0 ECAAMO NC(=O)C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000052844021 214151044 /nfs/dbraw/zinc/15/10/44/214151044.db2.gz YEDVXWMXKLMKBP-OAHLLOKOSA-N 1 1 331.416 0.836 50 0 ECAAMO COC[C@H]1CCCN1C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000097729588 219051595 /nfs/dbraw/zinc/05/15/95/219051595.db2.gz BISJGVITYHVNJL-CQSZACIVSA-N 1 1 333.436 0.788 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000055175500 214283074 /nfs/dbraw/zinc/28/30/74/214283074.db2.gz CONHSTHWOZSSRF-NSHDSACASA-N 1 1 339.417 0.780 50 0 ECAAMO COCC[N@H+](Cc1cnn(C)c1)Cc1cccc(OCC(N)=O)c1 ZINC000055568685 214330395 /nfs/dbraw/zinc/33/03/95/214330395.db2.gz HZOQQBRIZOPPIR-UHFFFAOYSA-N 1 1 332.404 0.933 50 0 ECAAMO COCC[N@@H+](Cc1cnn(C)c1)Cc1cccc(OCC(N)=O)c1 ZINC000055568685 214330398 /nfs/dbraw/zinc/33/03/98/214330398.db2.gz HZOQQBRIZOPPIR-UHFFFAOYSA-N 1 1 332.404 0.933 50 0 ECAAMO CCOC(=O)CN(C)c1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cn1 ZINC000102359452 219197377 /nfs/dbraw/zinc/19/73/77/219197377.db2.gz MMUHDOHVQUZHDA-FICVDOATSA-N 1 1 334.420 0.964 50 0 ECAAMO O=C(NCC1CC[NH+](Cc2ccncc2F)CC1)c1c[nH]c(=O)cn1 ZINC000067818979 215221487 /nfs/dbraw/zinc/22/14/87/215221487.db2.gz DXLSFISHYLZHED-UHFFFAOYSA-N 1 1 345.378 0.946 50 0 ECAAMO O=C(NCCc1ccc(F)cc1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067921303 215251540 /nfs/dbraw/zinc/25/15/40/215251540.db2.gz PPGRKCSIOQGJNA-UHFFFAOYSA-N 1 1 334.395 0.632 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1nnc2ccccc2c1=O ZINC000040475366 213311732 /nfs/dbraw/zinc/31/17/32/213311732.db2.gz LTIJTKCGWXOADD-CYBMUJFWSA-N 1 1 329.404 0.782 50 0 ECAAMO O=C(CN1c2ccccc2OCCC1=O)NCCC[NH+]1CCOCC1 ZINC000040465297 213309338 /nfs/dbraw/zinc/30/93/38/213309338.db2.gz MFOPNIMZMCUNDA-UHFFFAOYSA-N 1 1 347.415 0.641 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cn1 ZINC000069773813 215573655 /nfs/dbraw/zinc/57/36/55/215573655.db2.gz BEHFZDHZDGRPRM-MRXNPFEDSA-N 1 1 347.463 0.806 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cn1 ZINC000069773813 215573659 /nfs/dbraw/zinc/57/36/59/215573659.db2.gz BEHFZDHZDGRPRM-MRXNPFEDSA-N 1 1 347.463 0.806 50 0 ECAAMO COc1ccc(C(=O)c2c(C[NH+](C)C)n(C)c(=O)n(C)c2=O)cc1 ZINC000036559031 213099456 /nfs/dbraw/zinc/09/94/56/213099456.db2.gz AJIZVKSEGCHTKL-UHFFFAOYSA-N 1 1 331.372 0.385 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CCNC[C@@H]1C(=O)N1CCCC1 ZINC000072149086 216036673 /nfs/dbraw/zinc/03/66/73/216036673.db2.gz PJKMVOAIVFKGES-CQSZACIVSA-N 1 1 333.436 0.258 50 0 ECAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCc1ncc[nH]1 ZINC000072150295 216037523 /nfs/dbraw/zinc/03/75/23/216037523.db2.gz OMEOPFHBCDAQBF-AWEZNQCLSA-N 1 1 333.436 0.797 50 0 ECAAMO Cc1cc2nc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)cc(C)n2n1 ZINC000072158234 216048773 /nfs/dbraw/zinc/04/87/73/216048773.db2.gz WMTCIGJZWWYWIU-CQSZACIVSA-N 1 1 342.403 0.039 50 0 ECAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000072286563 216117937 /nfs/dbraw/zinc/11/79/37/216117937.db2.gz UWUNAELSTACKNV-TZMCWYRMSA-N 1 1 349.456 0.830 50 0 ECAAMO c1ccn(CCN2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072475500 216252696 /nfs/dbraw/zinc/25/26/96/216252696.db2.gz HXPHYZJASYUOMM-UHFFFAOYSA-N 1 1 326.448 0.789 50 0 ECAAMO CN1N=C(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1=O ZINC000022517059 212302857 /nfs/dbraw/zinc/30/28/57/212302857.db2.gz MEWPAALMSVGBSW-UHFFFAOYSA-N 1 1 336.436 0.746 50 0 ECAAMO O=C(CC1OCCCO1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193701722 240272761 /nfs/dbraw/zinc/27/27/61/240272761.db2.gz WJIOFEDOJGBBOV-CVEARBPZSA-N 1 1 334.416 0.891 50 0 ECAAMO O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000219284308 241374658 /nfs/dbraw/zinc/37/46/58/241374658.db2.gz ICQAEAJHUUSIKB-AWEZNQCLSA-N 1 1 328.372 0.344 50 0 ECAAMO Cn1ncc2c1ncn(CCC(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)c2=O ZINC000229383821 242160909 /nfs/dbraw/zinc/16/09/09/242160909.db2.gz JXGFKNPNZRAYRS-KBPBESRZSA-N 1 1 344.419 0.263 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795499 242202059 /nfs/dbraw/zinc/20/20/59/242202059.db2.gz RCCLQVGRYYQGBW-RDBSUJKOSA-N 1 1 346.497 0.186 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229795499 242202065 /nfs/dbraw/zinc/20/20/65/242202065.db2.gz RCCLQVGRYYQGBW-RDBSUJKOSA-N 1 1 346.497 0.186 50 0 ECAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)CSc3ccccc3)C[C@H]2O)CC1 ZINC000020785582 212171954 /nfs/dbraw/zinc/17/19/54/212171954.db2.gz HSCBSLBUWOFVHN-IAGOWNOFSA-N 1 1 349.500 0.988 50 0 ECAAMO Cn1c2ccccc2cc(C[N@H+]2CCN3CCNC(=O)[C@H]3C2)c1=O ZINC000244774114 243080039 /nfs/dbraw/zinc/08/00/39/243080039.db2.gz POFQRTCYWVTTKO-MRXNPFEDSA-N 1 1 326.400 0.155 50 0 ECAAMO Cc1cc(=O)n(CC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(=O)[nH]1 ZINC000253536159 244012146 /nfs/dbraw/zinc/01/21/46/244012146.db2.gz AUCYHJSUOYVIFL-UHFFFAOYSA-N 1 1 341.375 0.569 50 0 ECAAMO COC(=O)c1ccc(NC(=O)CC[NH+]2CCN(CCO)CC2)cc1 ZINC000019881275 212078719 /nfs/dbraw/zinc/07/87/19/212078719.db2.gz JPLVYECVVALTAQ-UHFFFAOYSA-N 1 1 335.404 0.412 50 0 ECAAMO Cc1nc2ccccc2c(=O)n1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000078282234 217037756 /nfs/dbraw/zinc/03/77/56/217037756.db2.gz SVEPVQXCPJEYJQ-UHFFFAOYSA-N 1 1 344.415 0.232 50 0 ECAAMO O=C1COc2cc(S(=O)(=O)N3CC[NH2+]CC3)c(Cl)cc2N1 ZINC000012505352 211395118 /nfs/dbraw/zinc/39/51/18/211395118.db2.gz SLQBRTPABSYODC-UHFFFAOYSA-N 1 1 331.781 0.265 50 0 ECAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(CC(N)=O)CC1 ZINC000091494294 218013897 /nfs/dbraw/zinc/01/38/97/218013897.db2.gz MWYAHQFDWNMXDK-UHFFFAOYSA-N 1 1 331.424 0.516 50 0 ECAAMO Cc1cc(CC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)on1 ZINC000091604709 218031613 /nfs/dbraw/zinc/03/16/13/218031613.db2.gz PNVKJVLBAUXBAD-KRWDZBQOSA-N 1 1 334.420 0.681 50 0 ECAAMO CC(C)[C@H]1CN(S(=O)(=O)N(C)C)C[C@@H]1Nc1cc[nH+]c(N)n1 ZINC000091644779 218038048 /nfs/dbraw/zinc/03/80/48/218038048.db2.gz GDEFYSXTAIGEDT-MNOVXSKESA-N 1 1 328.442 0.234 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cnc(C)c(C)c2)C[C@@H]1CO ZINC000091933861 218091259 /nfs/dbraw/zinc/09/12/59/218091259.db2.gz VJUJNAGQOPBTMN-IAGOWNOFSA-N 1 1 335.448 0.693 50 0 ECAAMO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000091876947 218081986 /nfs/dbraw/zinc/08/19/86/218081986.db2.gz FTPGYCWHLFZTJP-QGZVFWFLSA-N 1 1 332.448 0.891 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000095363316 218296086 /nfs/dbraw/zinc/29/60/86/218296086.db2.gz QYXSXLWEABANJI-ZDUSSCGKSA-N 1 1 348.451 0.123 50 0 ECAAMO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095363316 218296088 /nfs/dbraw/zinc/29/60/88/218296088.db2.gz QYXSXLWEABANJI-ZDUSSCGKSA-N 1 1 348.451 0.123 50 0 ECAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095363316 218296089 /nfs/dbraw/zinc/29/60/89/218296089.db2.gz QYXSXLWEABANJI-ZDUSSCGKSA-N 1 1 348.451 0.123 50 0 ECAAMO Cn1cnn(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1=O ZINC000095456814 218399584 /nfs/dbraw/zinc/39/95/84/218399584.db2.gz WUFTUBFEDZVHQW-UHFFFAOYSA-N 1 1 329.404 0.146 50 0 ECAAMO Cc1nn(C)c2nc(N3CC[NH+](CCn4cncn4)CC3)sc12 ZINC000095499116 218414783 /nfs/dbraw/zinc/41/47/83/218414783.db2.gz LYZMJHWDZDGSFD-UHFFFAOYSA-N 1 1 332.437 0.752 50 0 ECAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2nc[nH]n2)CC1 ZINC000299789684 258095463 /nfs/dbraw/zinc/09/54/63/258095463.db2.gz AAMNUIJAHSCUHN-AWEZNQCLSA-N 1 1 348.451 0.344 50 0 ECAAMO COc1cc(NC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)ccc1C ZINC000299794957 258099591 /nfs/dbraw/zinc/09/95/91/258099591.db2.gz NSVXHHQEUHEYND-HOTGVXAUSA-N 1 1 348.447 0.828 50 0 ECAAMO CS(=O)(=O)N1CCn2nc(CNc3[nH+]cnc4[nH]ccc43)cc2C1 ZINC000299800081 258103756 /nfs/dbraw/zinc/10/37/56/258103756.db2.gz VPMKOWUZQGYBEW-UHFFFAOYSA-N 1 1 347.404 0.542 50 0 ECAAMO CN(C)c1cccc(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000299756846 258075119 /nfs/dbraw/zinc/07/51/19/258075119.db2.gz JJVPVERNQKLDQZ-IRXDYDNUSA-N 1 1 332.448 0.185 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299760454 258077331 /nfs/dbraw/zinc/07/73/31/258077331.db2.gz SINSZIOKTTVRCA-OAHLLOKOSA-N 1 1 348.447 0.979 50 0 ECAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCNC1=O ZINC000299761953 258078353 /nfs/dbraw/zinc/07/83/53/258078353.db2.gz CHEPJNHGGMTHGL-INIZCTEOSA-N 1 1 346.431 0.419 50 0 ECAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCNC1=O ZINC000299761953 258078355 /nfs/dbraw/zinc/07/83/55/258078355.db2.gz CHEPJNHGGMTHGL-INIZCTEOSA-N 1 1 346.431 0.419 50 0 ECAAMO C[C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)n1ccnc1 ZINC000051084222 132179833 /nfs/dbraw/zinc/17/98/33/132179833.db2.gz YXPRRCVSMXOTMP-OAHLLOKOSA-N 1 1 343.435 0.563 50 0 ECAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC000069772379 287051744 /nfs/dbraw/zinc/05/17/44/287051744.db2.gz LVCKHEDVWVCJPL-CYBMUJFWSA-N 1 1 333.498 0.895 50 0 ECAAMO CC[C@@](C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000041406226 287387596 /nfs/dbraw/zinc/38/75/96/287387596.db2.gz VQYGJVYDARQQIQ-ZFWWWQNUSA-N 1 1 347.481 0.028 50 0 ECAAMO C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C1=CC[N@@H+](C)CC1 ZINC000273044116 263390176 /nfs/dbraw/zinc/39/01/76/263390176.db2.gz WNCBOAXACGIRDJ-SNVBAGLBSA-N 1 1 343.387 0.414 50 0 ECAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000055089739 278196016 /nfs/dbraw/zinc/19/60/16/278196016.db2.gz GIACINZSQKNTEK-XJFOESAGSA-N 1 1 331.482 0.839 50 0 ECAAMO Cc1c[nH+]ccc1N1CCCN(C(=O)CN2CCC[C@@H](O)C2)CC1 ZINC000222787737 279027230 /nfs/dbraw/zinc/02/72/30/279027230.db2.gz OAEOYBIUOHMRBF-MRXNPFEDSA-N 1 1 332.448 0.885 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 ZINC000071881796 280206891 /nfs/dbraw/zinc/20/68/91/280206891.db2.gz HDMJUAUYZXYSOI-CYBMUJFWSA-N 1 1 330.392 0.191 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@@H]1C ZINC000108086605 290091941 /nfs/dbraw/zinc/09/19/41/290091941.db2.gz VYAMHVPBYPXKQZ-KBPBESRZSA-N 1 1 347.415 0.326 50 0 ECAAMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000069697037 435958827 /nfs/dbraw/zinc/95/88/27/435958827.db2.gz YUQYNWYPPDJHSS-AWEZNQCLSA-N 1 1 346.431 0.164 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NC[C@H]1CCCc2ccccc21 ZINC000069773539 435966637 /nfs/dbraw/zinc/96/66/37/435966637.db2.gz VBEAMCRCYYBHGV-QGZVFWFLSA-N 1 1 331.460 0.833 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000069818799 435968827 /nfs/dbraw/zinc/96/88/27/435968827.db2.gz LFROPIGCHJLQKX-AWEZNQCLSA-N 1 1 339.867 0.997 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000069895736 435974503 /nfs/dbraw/zinc/97/45/03/435974503.db2.gz QPSNLZQHZWYEQJ-HUUCEWRRSA-N 1 1 349.431 0.543 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000003203067 435974751 /nfs/dbraw/zinc/97/47/51/435974751.db2.gz IAGQNKXBDXVWPR-NSHDSACASA-N 1 1 341.433 0.414 50 0 in-man ECAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006597 435982587 /nfs/dbraw/zinc/98/25/87/435982587.db2.gz SLPIDXHEIDQFRP-CQSZACIVSA-N 1 1 331.420 0.562 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@H]3CCCCNC3=O)C2=O)cc1 ZINC000000084419 435949383 /nfs/dbraw/zinc/94/93/83/435949383.db2.gz XOOGBNBOJXIBTL-GJZGRUSLSA-N 1 1 345.399 0.976 50 0 ECAAMO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000069632878 435954504 /nfs/dbraw/zinc/95/45/04/435954504.db2.gz ICBZIVFIVZKJDT-AWEZNQCLSA-N 1 1 334.420 0.345 50 0 ECAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@H](O)C1)N1CCOCC1 ZINC000071753395 436010336 /nfs/dbraw/zinc/01/03/36/436010336.db2.gz UBDAWHOGURBJLZ-AWEZNQCLSA-N 1 1 344.415 0.763 50 0 ECAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@H](O)C1)N1CCOCC1 ZINC000071753395 436010341 /nfs/dbraw/zinc/01/03/41/436010341.db2.gz UBDAWHOGURBJLZ-AWEZNQCLSA-N 1 1 344.415 0.763 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071764430 436010816 /nfs/dbraw/zinc/01/08/16/436010816.db2.gz QWVYUQQTPGOQNH-INIZCTEOSA-N 1 1 336.480 0.483 50 0 ECAAMO CC(C)(C)OC(=O)CC[NH+]1CCN(CCN2CCNC2=O)CC1 ZINC000071799274 436011931 /nfs/dbraw/zinc/01/19/31/436011931.db2.gz YXKCZJAKQIRSET-UHFFFAOYSA-N 1 1 326.441 0.361 50 0 ECAAMO CC(C)(C)OC(=O)CCN1CC[NH+](CCN2CCNC2=O)CC1 ZINC000071799274 436011934 /nfs/dbraw/zinc/01/19/34/436011934.db2.gz YXKCZJAKQIRSET-UHFFFAOYSA-N 1 1 326.441 0.361 50 0 ECAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)CN(C)c3cnccn3)CC2)CCO1 ZINC000071829421 436015350 /nfs/dbraw/zinc/01/53/50/436015350.db2.gz KQJQETZESTZXIV-CQSZACIVSA-N 1 1 333.436 0.625 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccccc2F)CC1 ZINC000071862821 436018624 /nfs/dbraw/zinc/01/86/24/436018624.db2.gz LCBZMOWJUJGQPZ-MRXNPFEDSA-N 1 1 335.423 0.927 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000071871103 436022419 /nfs/dbraw/zinc/02/24/19/436022419.db2.gz UJXAAHFMOIRRKK-CQSZACIVSA-N 1 1 344.415 0.312 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 ZINC000071871329 436022496 /nfs/dbraw/zinc/02/24/96/436022496.db2.gz QRVFXGUDWGDPEN-MNOVXSKESA-N 1 1 345.241 0.732 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000071880986 436024341 /nfs/dbraw/zinc/02/43/41/436024341.db2.gz WWOVHRYWJCPDQJ-INIZCTEOSA-N 1 1 346.431 0.745 50 0 ECAAMO COc1ccc(CCNC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000071877433 436024622 /nfs/dbraw/zinc/02/46/22/436024622.db2.gz XFAVNUBIEQSDFY-HOTGVXAUSA-N 1 1 349.475 0.741 50 0 ECAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000072268615 436036466 /nfs/dbraw/zinc/03/64/66/436036466.db2.gz YFWXENIADMIWCB-CABCVRRESA-N 1 1 348.447 0.449 50 0 ECAAMO COCCN1CC[N@@H+](CCCn2cnc3c2ncnc3N)C[C@H]1C ZINC000072279856 436040529 /nfs/dbraw/zinc/04/05/29/436040529.db2.gz QYNJOPZPGGZFOV-CYBMUJFWSA-N 1 1 333.440 0.451 50 0 ECAAMO COCC[N@@H+]1CCN(CCCn2cnc3c2ncnc3N)C[C@H]1C ZINC000072279856 436040536 /nfs/dbraw/zinc/04/05/36/436040536.db2.gz QYNJOPZPGGZFOV-CYBMUJFWSA-N 1 1 333.440 0.451 50 0 ECAAMO COCC[N@H+]1CCN(CCCn2cnc3c2ncnc3N)C[C@H]1C ZINC000072279856 436040541 /nfs/dbraw/zinc/04/05/41/436040541.db2.gz QYNJOPZPGGZFOV-CYBMUJFWSA-N 1 1 333.440 0.451 50 0 ECAAMO C[C@]1([C@@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)NC(=O)NC1=O ZINC000072300815 436042526 /nfs/dbraw/zinc/04/25/26/436042526.db2.gz MVSOKDARFGDPEC-FZKQIMNGSA-N 1 1 348.447 0.601 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1 ZINC000072300743 436042787 /nfs/dbraw/zinc/04/27/87/436042787.db2.gz GDHZVGKGNNIXHM-KBXCAEBGSA-N 1 1 344.415 0.856 50 0 ECAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000012855219 436055764 /nfs/dbraw/zinc/05/57/64/436055764.db2.gz VXBCYKZCRYVQRQ-AWEZNQCLSA-N 1 1 339.461 0.783 50 0 ECAAMO CC(C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000013371395 436060909 /nfs/dbraw/zinc/06/09/09/436060909.db2.gz YEDDUBFNCWBFJR-STQMWFEESA-N 1 1 335.422 0.763 50 0 ECAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000013371393 436061936 /nfs/dbraw/zinc/06/19/36/436061936.db2.gz PWKDLXXKOBIIKE-STQMWFEESA-N 1 1 335.422 0.765 50 0 ECAAMO Cc1ccc2c(n[nH]c2NC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000013729384 436063895 /nfs/dbraw/zinc/06/38/95/436063895.db2.gz WIJAHDWKDVJRJV-UHFFFAOYSA-N 1 1 346.391 0.043 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccccc1 ZINC000016444725 436093219 /nfs/dbraw/zinc/09/32/19/436093219.db2.gz FTUJDHZUQKFBBB-NSHDSACASA-N 1 1 330.388 0.369 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccccc1 ZINC000016444725 436093224 /nfs/dbraw/zinc/09/32/24/436093224.db2.gz FTUJDHZUQKFBBB-NSHDSACASA-N 1 1 330.388 0.369 50 0 ECAAMO COCCCNC(=O)[C@@H](C)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075131515 436152529 /nfs/dbraw/zinc/15/25/29/436152529.db2.gz FKVWKMXXKCOCRW-CYBMUJFWSA-N 1 1 326.441 0.359 50 0 ECAAMO CCCS(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000021794648 436116968 /nfs/dbraw/zinc/11/69/68/436116968.db2.gz OZVBZROXSKSCAX-UHFFFAOYSA-N 1 1 327.454 0.713 50 0 ECAAMO Cc1n[nH]c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1Br ZINC000075602945 436166130 /nfs/dbraw/zinc/16/61/30/436166130.db2.gz FKXZGBQAEZQWHO-MRVPVSSYSA-N 1 1 331.214 0.619 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CCCS(=O)(=O)N(C)C)C2)no1 ZINC000076047354 436184365 /nfs/dbraw/zinc/18/43/65/436184365.db2.gz AIZVQVKZYNDGKV-CYBMUJFWSA-N 1 1 345.469 0.166 50 0 ECAAMO CS(=O)(=O)NC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000077323763 436234324 /nfs/dbraw/zinc/23/43/24/436234324.db2.gz PIQYFWNOGRXHNI-UHFFFAOYSA-N 1 1 326.418 0.971 50 0 ECAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000076058770 436189876 /nfs/dbraw/zinc/18/98/76/436189876.db2.gz WRBZXPVECXJDNP-YVEFUNNKSA-N 1 1 348.403 0.548 50 0 ECAAMO CC(C)N1C[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)CC1=O ZINC000077303456 436231196 /nfs/dbraw/zinc/23/11/96/436231196.db2.gz RFJMBBLAXLYCCX-INIZCTEOSA-N 1 1 332.448 0.889 50 0 ECAAMO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[N@H+](C)C1CC1 ZINC000079111335 436290310 /nfs/dbraw/zinc/29/03/10/436290310.db2.gz WCFNGSZUROFRGV-LBPRGKRZSA-N 1 1 342.403 0.805 50 0 ECAAMO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[N@@H+](C)C1CC1 ZINC000079111335 436290316 /nfs/dbraw/zinc/29/03/16/436290316.db2.gz WCFNGSZUROFRGV-LBPRGKRZSA-N 1 1 342.403 0.805 50 0 ECAAMO Cn1nnc2cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)ccc21 ZINC000078788696 436278701 /nfs/dbraw/zinc/27/87/01/436278701.db2.gz YMZHOFNBXDFZSM-HZPDHXFCSA-N 1 1 329.404 0.640 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000078891119 436280078 /nfs/dbraw/zinc/28/00/78/436280078.db2.gz MBQDEDYICZTASK-GXTWGEPZSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000078891119 436280079 /nfs/dbraw/zinc/28/00/79/436280079.db2.gz MBQDEDYICZTASK-GXTWGEPZSA-N 1 1 337.424 0.131 50 0 ECAAMO O=C(CC[N@@H+]1CCO[C@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893816 436283036 /nfs/dbraw/zinc/28/30/36/436283036.db2.gz FSQXQCXRTNZLCK-OAHLLOKOSA-N 1 1 333.436 0.992 50 0 ECAAMO O=C(CC[N@H+]1CCO[C@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893816 436283040 /nfs/dbraw/zinc/28/30/40/436283040.db2.gz FSQXQCXRTNZLCK-OAHLLOKOSA-N 1 1 333.436 0.992 50 0 ECAAMO c1cn(CCCN2CCOCC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000082133497 436361636 /nfs/dbraw/zinc/36/16/36/436361636.db2.gz ACKZIUMMZYMVTN-UHFFFAOYSA-N 1 1 345.451 0.788 50 0 ECAAMO COCCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000045337101 436365180 /nfs/dbraw/zinc/36/51/80/436365180.db2.gz CIIOPLDBKDKVGT-IAGOWNOFSA-N 1 1 345.443 0.997 50 0 ECAAMO COCCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000045337101 436365184 /nfs/dbraw/zinc/36/51/84/436365184.db2.gz CIIOPLDBKDKVGT-IAGOWNOFSA-N 1 1 345.443 0.997 50 0 ECAAMO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000046166372 436387503 /nfs/dbraw/zinc/38/75/03/436387503.db2.gz JVKCTOKEAPBXCM-CQSZACIVSA-N 1 1 325.434 0.393 50 0 ECAAMO CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000046166372 436387504 /nfs/dbraw/zinc/38/75/04/436387504.db2.gz JVKCTOKEAPBXCM-CQSZACIVSA-N 1 1 325.434 0.393 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)COc1ccccc1F ZINC000085469979 436390665 /nfs/dbraw/zinc/39/06/65/436390665.db2.gz JTDWCQNFKAQHJU-CYBMUJFWSA-N 1 1 326.368 0.356 50 0 ECAAMO CC[C@@](C)(CNC(=O)COc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000048287458 436447512 /nfs/dbraw/zinc/44/75/12/436447512.db2.gz KWAULHQECNLVPS-SFHVURJKSA-N 1 1 349.431 0.781 50 0 ECAAMO COCC[N@H+](C)CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091425197 436451318 /nfs/dbraw/zinc/45/13/18/436451318.db2.gz BNBPRYRLIQFULW-PBHICJAKSA-N 1 1 328.453 0.591 50 0 ECAAMO COCC[N@@H+](C)CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091425197 436451320 /nfs/dbraw/zinc/45/13/20/436451320.db2.gz BNBPRYRLIQFULW-PBHICJAKSA-N 1 1 328.453 0.591 50 0 ECAAMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000047260835 436414817 /nfs/dbraw/zinc/41/48/17/436414817.db2.gz FCSSKPXXXGTEOJ-ZDUSSCGKSA-N 1 1 347.419 0.886 50 0 ECAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000047260835 436414820 /nfs/dbraw/zinc/41/48/20/436414820.db2.gz FCSSKPXXXGTEOJ-ZDUSSCGKSA-N 1 1 347.419 0.886 50 0 ECAAMO Cn1cc[nH+]c1Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000089761473 436415080 /nfs/dbraw/zinc/41/50/80/436415080.db2.gz MBBYWIYRUZAQCA-UHFFFAOYSA-N 1 1 339.277 0.896 50 0 ECAAMO Cc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)sc1Cl ZINC000096141672 436515063 /nfs/dbraw/zinc/51/50/63/436515063.db2.gz CQLQVLFUBRWNDV-QMTHXVAHSA-N 1 1 328.869 0.915 50 0 ECAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000095505342 436498751 /nfs/dbraw/zinc/49/87/51/436498751.db2.gz NATDHKTXMLSKLV-CYBMUJFWSA-N 1 1 348.451 0.121 50 0 ECAAMO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095505342 436498753 /nfs/dbraw/zinc/49/87/53/436498753.db2.gz NATDHKTXMLSKLV-CYBMUJFWSA-N 1 1 348.451 0.121 50 0 ECAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095505342 436498756 /nfs/dbraw/zinc/49/87/56/436498756.db2.gz NATDHKTXMLSKLV-CYBMUJFWSA-N 1 1 348.451 0.121 50 0 ECAAMO CN(CC(=O)N1CCC([N@@H+](C)CCO)CC1)C(=O)OC(C)(C)C ZINC000095976444 436501901 /nfs/dbraw/zinc/50/19/01/436501901.db2.gz JCRCIIGPJGZHNC-UHFFFAOYSA-N 1 1 329.441 0.768 50 0 ECAAMO C[N@H+]1CCC[C@H](N2CCN(c3nnc(Cl)cc3C(N)=O)CC2)C1 ZINC000096446538 436531612 /nfs/dbraw/zinc/53/16/12/436531612.db2.gz MCPMNBHKOQPRCT-NSHDSACASA-N 1 1 338.843 0.445 50 0 ECAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000058244564 436622318 /nfs/dbraw/zinc/62/23/18/436622318.db2.gz IFJYWQKCBGJGTR-LLVKDONJSA-N 1 1 336.392 0.708 50 0 ECAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(=O)NCc1ccco1 ZINC000058405187 436625024 /nfs/dbraw/zinc/62/50/24/436625024.db2.gz MWOLXHBFFLKUPW-UHFFFAOYSA-N 1 1 347.419 0.564 50 0 ECAAMO C[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000106078859 436590424 /nfs/dbraw/zinc/59/04/24/436590424.db2.gz PIGHNBUNNSXLHZ-UONOGXRCSA-N 1 1 345.509 0.895 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000106664426 436600781 /nfs/dbraw/zinc/60/07/81/436600781.db2.gz DIJRTZYUKXEPQF-CABCVRRESA-N 1 1 348.451 0.144 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000106664426 436600784 /nfs/dbraw/zinc/60/07/84/436600784.db2.gz DIJRTZYUKXEPQF-CABCVRRESA-N 1 1 348.451 0.144 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603255 /nfs/dbraw/zinc/60/32/55/436603255.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 1 1 335.492 0.866 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603257 /nfs/dbraw/zinc/60/32/57/436603257.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 1 1 335.492 0.866 50 0 ECAAMO CCN(C[C@H]1CCOC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000106872169 436603357 /nfs/dbraw/zinc/60/33/57/436603357.db2.gz JHEKMXOICWAFTL-HUUCEWRRSA-N 1 1 340.468 0.642 50 0 ECAAMO CC[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C[C@H](C)O ZINC000106906862 436606020 /nfs/dbraw/zinc/60/60/20/436606020.db2.gz RQJDQMYCOLYLPY-GOEBONIOSA-N 1 1 337.468 0.156 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065409469 436659504 /nfs/dbraw/zinc/65/95/04/436659504.db2.gz ZXIVKECFCBVJCV-UHFFFAOYSA-N 1 1 331.376 0.861 50 0 ECAAMO Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC000220384225 436698769 /nfs/dbraw/zinc/69/87/69/436698769.db2.gz ONGMEYWLKULUSB-NSHDSACASA-N 1 1 340.449 0.132 50 0 ECAAMO C[NH+]1CCN(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1 ZINC000223399495 436706164 /nfs/dbraw/zinc/70/61/64/436706164.db2.gz WYMMDEXMYBAIHB-HZPDHXFCSA-N 1 1 334.420 0.713 50 0 ECAAMO O=C(c1ccc2n[nH]nc2c1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000223385929 436706613 /nfs/dbraw/zinc/70/66/13/436706613.db2.gz CPVLGFHZDDPQDW-AWEZNQCLSA-N 1 1 329.404 0.877 50 0 ECAAMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C1CC1 ZINC000065447509 436660620 /nfs/dbraw/zinc/66/06/20/436660620.db2.gz BXFGMFOVNXXPLX-GFCCVEGCSA-N 1 1 345.399 0.979 50 0 ECAAMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000065430384 436660662 /nfs/dbraw/zinc/66/06/62/436660662.db2.gz TUYMHDLYOPYWKP-HNNXBMFYSA-N 1 1 332.383 0.678 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194738595 436671249 /nfs/dbraw/zinc/67/12/49/436671249.db2.gz MCVGQCRNYWKVQV-OAHLLOKOSA-N 1 1 342.399 0.175 50 0 ECAAMO CCN(CC)C(=O)c1cn(C2CCN(c3cc(N)[nH+]cn3)CC2)nn1 ZINC000067805528 436723162 /nfs/dbraw/zinc/72/31/62/436723162.db2.gz NPWSJHFYEWLNHT-UHFFFAOYSA-N 1 1 344.423 0.974 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)s1 ZINC000237693777 436742101 /nfs/dbraw/zinc/74/21/01/436742101.db2.gz MDOCBFAXBKOENH-JTQLQIEISA-N 1 1 331.463 0.409 50 0 ECAAMO CC[NH+]1CCN(C(=O)CNc2ncncc2Br)CC1 ZINC000124385036 436750200 /nfs/dbraw/zinc/75/02/00/436750200.db2.gz QSXQIERBFQDWPW-UHFFFAOYSA-N 1 1 328.214 0.815 50 0 ECAAMO Cc1cc[nH+]c(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000240551519 436758368 /nfs/dbraw/zinc/75/83/68/436758368.db2.gz GUIDEKNVQDRBPE-UHFFFAOYSA-N 1 1 340.449 0.843 50 0 ECAAMO O=C(c1ccc2n[nH]nc2c1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000230575589 436715934 /nfs/dbraw/zinc/71/59/34/436715934.db2.gz CPVLGFHZDDPQDW-CQSZACIVSA-N 1 1 329.404 0.877 50 0 ECAAMO CCc1nc(CN2CCC[C@H]([N@@H+](C)C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229562463 436716354 /nfs/dbraw/zinc/71/63/54/436716354.db2.gz ACFCQIQUIMDXAY-LSDHHAIUSA-N 1 1 348.451 0.786 50 0 ECAAMO CC(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000069490000 436776185 /nfs/dbraw/zinc/77/61/85/436776185.db2.gz KJEYMLNCMRCIOS-QGZVFWFLSA-N 1 1 347.463 0.713 50 0 ECAAMO CC(=O)N1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000069490000 436776187 /nfs/dbraw/zinc/77/61/87/436776187.db2.gz KJEYMLNCMRCIOS-QGZVFWFLSA-N 1 1 347.463 0.713 50 0 ECAAMO CC[N@H+]1CCC[C@](O)(CN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000253388868 436840165 /nfs/dbraw/zinc/84/01/65/436840165.db2.gz YGURYQVPHZCFHK-NVXWUHKLSA-N 1 1 325.453 0.156 50 0 ECAAMO C[C@H]1C[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C[N@H+]1C1CC1 ZINC000253394456 436842322 /nfs/dbraw/zinc/84/23/22/436842322.db2.gz DZLPVCNTXGZPTA-UONOGXRCSA-N 1 1 341.452 0.469 50 0 ECAAMO C[C@H]1C[NH+](CCC2CCN(C(=O)CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000253431470 436845157 /nfs/dbraw/zinc/84/51/57/436845157.db2.gz HFTQUNGJZSFLLU-KBPBESRZSA-N 1 1 346.493 0.769 50 0 ECAAMO Cn1c(=O)[nH]cc(CC[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1=O ZINC000253536113 436848082 /nfs/dbraw/zinc/84/80/82/436848082.db2.gz IRGOTECGSJCBAN-HNNXBMFYSA-N 1 1 342.399 0.072 50 0 ECAAMO Cn1c(=O)[nH]cc(CC[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1=O ZINC000253536113 436848086 /nfs/dbraw/zinc/84/80/86/436848086.db2.gz IRGOTECGSJCBAN-HNNXBMFYSA-N 1 1 342.399 0.072 50 0 ECAAMO O=C(COc1ccccc1)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257188111 436857503 /nfs/dbraw/zinc/85/75/03/436857503.db2.gz MJUMSKNYBAQRDU-WMLDXEAASA-N 1 1 334.416 0.653 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccccc2OC)CC1 ZINC000257187826 436857732 /nfs/dbraw/zinc/85/77/32/436857732.db2.gz CHXSAUJNQLCEDD-SJORKVTESA-N 1 1 347.459 0.841 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2ccccc2OC)CC1 ZINC000257187826 436857735 /nfs/dbraw/zinc/85/77/35/436857735.db2.gz CHXSAUJNQLCEDD-SJORKVTESA-N 1 1 347.459 0.841 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cc(-n2cnnn2)ccc1O ZINC000252491538 436834446 /nfs/dbraw/zinc/83/44/46/436834446.db2.gz LNXYSYPHYWBYDE-ZFWWWQNUSA-N 1 1 346.391 0.205 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccccc3)C[C@H]2C)CC1 ZINC000257366379 436876293 /nfs/dbraw/zinc/87/62/93/436876293.db2.gz VMOAYEMXAJVRJE-OLMNPRSZSA-N 1 1 344.459 0.697 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCCC3)C[C@H]2C)CC1 ZINC000257366392 436876524 /nfs/dbraw/zinc/87/65/24/436876524.db2.gz WGWCRHNEZICUNN-BFYDXBDKSA-N 1 1 336.480 0.482 50 0 ECAAMO CS(=O)(=O)NCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173817849 437065951 /nfs/dbraw/zinc/06/59/51/437065951.db2.gz SQBQNLYAMZLTIM-OAHLLOKOSA-N 1 1 339.461 0.707 50 0 ECAAMO C[C@@H]1C[N@@H+](CCC2CCN(CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490147 437187870 /nfs/dbraw/zinc/18/78/70/437187870.db2.gz GTCJHNKNRYMVKP-GASCZTMLSA-N 1 1 347.525 0.747 50 0 ECAAMO C[C@@H]1C[N@H+](CCC2CCN(CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490147 437187874 /nfs/dbraw/zinc/18/78/74/437187874.db2.gz GTCJHNKNRYMVKP-GASCZTMLSA-N 1 1 347.525 0.747 50 0 ECAAMO CO[C@H]1C[C@@H](CN(C)Cc2nn3c(nc(C)cc3=O)s2)[N@@H+](C)C1 ZINC000329035523 437306660 /nfs/dbraw/zinc/30/66/60/437306660.db2.gz RAEMHLRRSATVBF-RYUDHWBXSA-N 1 1 337.449 0.610 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2O)CC1 ZINC000185529554 437443202 /nfs/dbraw/zinc/44/32/02/437443202.db2.gz BRDKGNCHRNMQDG-BZUAXINKSA-N 1 1 326.485 0.863 50 0 ECAAMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@H+]1Cc1ccccc1 ZINC000185642575 437446760 /nfs/dbraw/zinc/44/67/60/437446760.db2.gz IJRYPPRTWXQBMA-SIXLDLHFSA-N 1 1 333.432 0.787 50 0 ECAAMO C[C@H](C(=O)N1CCN(c2nc[nH]n2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000426440347 438058571 /nfs/dbraw/zinc/05/85/71/438058571.db2.gz RYXDWXXUZIXCKK-CQSZACIVSA-N 1 1 340.431 0.900 50 0 ECAAMO CCn1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)n1 ZINC000426534459 438065413 /nfs/dbraw/zinc/06/54/13/438065413.db2.gz NAFQTICUJVPKLG-HNNXBMFYSA-N 1 1 335.452 0.769 50 0 ECAAMO CCn1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c(C)n1 ZINC000426534459 438065416 /nfs/dbraw/zinc/06/54/16/438065416.db2.gz NAFQTICUJVPKLG-HNNXBMFYSA-N 1 1 335.452 0.769 50 0 ECAAMO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1CCN1CCOCC1 ZINC000177358019 320520940 /nfs/dbraw/zinc/52/09/40/320520940.db2.gz PCUXRJAJDLRVSN-OAHLLOKOSA-N 1 1 339.386 0.988 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000084281208 545710061 /nfs/dbraw/zinc/71/00/61/545710061.db2.gz NRZNKEUWQWBLLQ-OAHLLOKOSA-N 1 1 337.424 0.133 50 0 ECAAMO CCCn1nc(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)ccc1=O ZINC000084759111 545713594 /nfs/dbraw/zinc/71/35/94/545713594.db2.gz VJOBYLYOOBLTAT-CQSZACIVSA-N 1 1 336.436 0.836 50 0 ECAAMO CC(=O)N1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)C1 ZINC000097376935 545731364 /nfs/dbraw/zinc/73/13/64/545731364.db2.gz ONNSMDBIBBGQPC-UHFFFAOYSA-N 1 1 346.479 0.671 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cc1ccc(-n2nnnc2C)cc1 ZINC000299763066 545987767 /nfs/dbraw/zinc/98/77/67/545987767.db2.gz ZEAYKHZEGRBNNG-HOTGVXAUSA-N 1 1 344.419 0.349 50 0 ECAAMO CN(C)C(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000670444196 548012238 /nfs/dbraw/zinc/01/22/38/548012238.db2.gz ZFLSXTAYLRRVCS-OAHLLOKOSA-N 1 1 340.468 0.343 50 0 ECAAMO CCCOCC(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670473305 548018636 /nfs/dbraw/zinc/01/86/36/548018636.db2.gz QNZXMIGHIKWMNX-UHFFFAOYSA-N 1 1 332.466 0.571 50 0 ECAAMO CN(C)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803199 738445921 /nfs/dbraw/zinc/44/59/21/738445921.db2.gz WJLSFBASRQARFG-AWEZNQCLSA-N 1 1 338.452 0.313 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)ccc1OC ZINC000004698028 744831100 /nfs/dbraw/zinc/83/11/00/744831100.db2.gz ZKJHIFFFLXCPBE-GFCCVEGCSA-N 1 1 341.433 0.557 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051210754 214082939 /nfs/dbraw/zinc/08/29/39/214082939.db2.gz MCMZBMDBFURBQF-QGZVFWFLSA-N 1 1 346.475 0.239 50 0 ECAAMO O=C(c1ccoc1)N1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H](O)C1 ZINC000097653988 219044534 /nfs/dbraw/zinc/04/45/34/219044534.db2.gz PQSVVUOOYBSJBI-LBPRGKRZSA-N 1 1 327.344 0.874 50 0 ECAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC(=O)NC1=O ZINC000174950946 529954908 /nfs/dbraw/zinc/95/49/08/529954908.db2.gz RVRKRAUFYRVFSI-HNNXBMFYSA-N 1 1 344.415 0.519 50 0 ECAAMO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000067286638 215130424 /nfs/dbraw/zinc/13/04/24/215130424.db2.gz XFFNOHTYYZRKTL-INIZCTEOSA-N 1 1 344.415 0.715 50 0 ECAAMO CCCN1CCN(C(=O)c2cc(CN3CC[NH+](CC)CC3)on2)CC1 ZINC000067433414 215145921 /nfs/dbraw/zinc/14/59/21/215145921.db2.gz RWUMYAMNZXIUHV-UHFFFAOYSA-N 1 1 349.479 0.980 50 0 ECAAMO C[N@H+]1CC[C@](C)(CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067696908 215188960 /nfs/dbraw/zinc/18/89/60/215188960.db2.gz UAFFOTIBCLYDAI-QGZVFWFLSA-N 1 1 336.436 0.703 50 0 ECAAMO CC[C@@]1(C2CC[NH+](Cc3cnc(COC)nc3)CC2)NC(=O)NC1=O ZINC000067854855 215232057 /nfs/dbraw/zinc/23/20/57/215232057.db2.gz RSMKWEDHRQMBPH-KRWDZBQOSA-N 1 1 347.419 0.823 50 0 ECAAMO Cc1cc(C)n2ncc(CN3CC[NH+](CCn4cncn4)CC3)c2n1 ZINC000067855737 215233687 /nfs/dbraw/zinc/23/36/87/215233687.db2.gz YXNWXYHAVJHWAK-UHFFFAOYSA-N 1 1 340.435 0.755 50 0 ECAAMO CCOc1ccc(CC(=O)N2CCC3(CC2)[NH2+]CCNC3=O)cc1 ZINC000067921794 215251485 /nfs/dbraw/zinc/25/14/85/215251485.db2.gz BHPNHZWPLCIDED-UHFFFAOYSA-N 1 1 331.416 0.708 50 0 ECAAMO Cc1ccc[nH+]c1NCCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000067955783 215259140 /nfs/dbraw/zinc/25/91/40/215259140.db2.gz QSNSKBCUAJOELS-UHFFFAOYSA-N 1 1 334.401 0.879 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000069387169 215396883 /nfs/dbraw/zinc/39/68/83/215396883.db2.gz SAOKKLVUIWJTKJ-UHFFFAOYSA-N 1 1 329.404 0.812 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(N2CCNC2=O)c1 ZINC000040527864 213337250 /nfs/dbraw/zinc/33/72/50/213337250.db2.gz DDPIQAOFSCXECX-UHFFFAOYSA-N 1 1 332.404 0.668 50 0 ECAAMO O=S(=O)(N1CCOCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000040488253 213318085 /nfs/dbraw/zinc/31/80/85/213318085.db2.gz JZXYDDUVSIZCMH-UHFFFAOYSA-N 1 1 339.461 0.771 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(C)C1=O ZINC000040266754 213286141 /nfs/dbraw/zinc/28/61/41/213286141.db2.gz OPFRXUVXVHSFFW-SWLSCSKDSA-N 1 1 344.415 0.421 50 0 ECAAMO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)NC2CCOCC2)CC1 ZINC000069820308 215598199 /nfs/dbraw/zinc/59/81/99/215598199.db2.gz MIILLBTYVNQRNY-AWEZNQCLSA-N 1 1 327.469 0.306 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000036655981 213107536 /nfs/dbraw/zinc/10/75/36/213107536.db2.gz QYEFYVZKLSWJFG-LBPRGKRZSA-N 1 1 334.376 0.316 50 0 ECAAMO CN(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000072142093 216027550 /nfs/dbraw/zinc/02/75/50/216027550.db2.gz FLSJOLATWPYKLU-AWEZNQCLSA-N 1 1 345.451 0.461 50 0 ECAAMO CN(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000072142093 216027553 /nfs/dbraw/zinc/02/75/53/216027553.db2.gz FLSJOLATWPYKLU-AWEZNQCLSA-N 1 1 345.451 0.461 50 0 ECAAMO CC[C@@H]1CN(CCn2cncn2)[C@@H](CC)C[N@H+]1CCn1cncn1 ZINC000072293956 216130176 /nfs/dbraw/zinc/13/01/76/216130176.db2.gz RWJWGEUABIIMHE-IYBDPMFKSA-N 1 1 332.456 0.745 50 0 ECAAMO CC[C@@H]1C[N@H+](CCn2cncn2)[C@@H](CC)CN1CCn1cncn1 ZINC000072293956 216130178 /nfs/dbraw/zinc/13/01/78/216130178.db2.gz RWJWGEUABIIMHE-IYBDPMFKSA-N 1 1 332.456 0.745 50 0 ECAAMO CC[C@@H]1C[N@@H+](CCn2cncn2)[C@@H](CC)CN1CCn1cncn1 ZINC000072293956 216130182 /nfs/dbraw/zinc/13/01/82/216130182.db2.gz RWJWGEUABIIMHE-IYBDPMFKSA-N 1 1 332.456 0.745 50 0 ECAAMO CNC(=O)CC[N@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072422854 216211747 /nfs/dbraw/zinc/21/17/47/216211747.db2.gz NZUMHLVWHCXJAV-HNNXBMFYSA-N 1 1 347.463 0.937 50 0 ECAAMO C[N@@H+]1CCN(C(=O)c2cnc(N)nc2-c2ccccc2)C[C@@H]1CCO ZINC000072425181 216215143 /nfs/dbraw/zinc/21/51/43/216215143.db2.gz LKKKBPHBESOCDI-AWEZNQCLSA-N 1 1 341.415 0.864 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc(N)nc2-c2ccccc2)C[C@@H]1CCO ZINC000072425181 216215146 /nfs/dbraw/zinc/21/51/46/216215146.db2.gz LKKKBPHBESOCDI-AWEZNQCLSA-N 1 1 341.415 0.864 50 0 ECAAMO NS(=O)(=O)CCCC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072433032 216227311 /nfs/dbraw/zinc/22/73/11/216227311.db2.gz ODYXTYNETAAJDI-UHFFFAOYSA-N 1 1 340.449 0.185 50 0 ECAAMO NS(=O)(=O)CCCC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072433032 216227314 /nfs/dbraw/zinc/22/73/14/216227314.db2.gz ODYXTYNETAAJDI-UHFFFAOYSA-N 1 1 340.449 0.185 50 0 ECAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(=O)[nH]n1 ZINC000022764857 212322455 /nfs/dbraw/zinc/32/24/55/212322455.db2.gz GYBOPQRZZCGKCP-UHFFFAOYSA-N 1 1 328.372 0.944 50 0 ECAAMO CC(C)Cc1cc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)[nH]c(=O)n1 ZINC000216320725 241183660 /nfs/dbraw/zinc/18/36/60/241183660.db2.gz OMRIFKIKVMLMAR-KBPBESRZSA-N 1 1 333.436 0.087 50 0 ECAAMO CC(C)Cc1cc(C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)[nH]c(=O)n1 ZINC000216320725 241183668 /nfs/dbraw/zinc/18/36/68/241183668.db2.gz OMRIFKIKVMLMAR-KBPBESRZSA-N 1 1 333.436 0.087 50 0 ECAAMO CC(C)Cc1cc(C(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)[nH]c(=O)n1 ZINC000216320725 241183674 /nfs/dbraw/zinc/18/36/74/241183674.db2.gz OMRIFKIKVMLMAR-KBPBESRZSA-N 1 1 333.436 0.087 50 0 ECAAMO CC(=O)[C@H](NC(=O)CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C(C)C ZINC000229568152 242178706 /nfs/dbraw/zinc/17/87/06/242178706.db2.gz FQQMGFVPLNUTPL-KBXCAEBGSA-N 1 1 339.480 0.901 50 0 ECAAMO O[C@@H](COCc1cccs1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554861 242179163 /nfs/dbraw/zinc/17/91/63/242179163.db2.gz JTLSVVKRFUAXNB-ZIAGYGMSSA-N 1 1 338.433 0.618 50 0 ECAAMO O[C@@H](COCc1cccs1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554861 242179168 /nfs/dbraw/zinc/17/91/68/242179168.db2.gz JTLSVVKRFUAXNB-ZIAGYGMSSA-N 1 1 338.433 0.618 50 0 ECAAMO CCc1nnc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)s1 ZINC000244873376 243091162 /nfs/dbraw/zinc/09/11/62/243091162.db2.gz WPEBNKBWLUVIRL-JTQLQIEISA-N 1 1 325.438 0.316 50 0 ECAAMO CCc1nnc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)s1 ZINC000244873376 243091171 /nfs/dbraw/zinc/09/11/71/243091171.db2.gz WPEBNKBWLUVIRL-JTQLQIEISA-N 1 1 325.438 0.316 50 0 ECAAMO CC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020556315 212146726 /nfs/dbraw/zinc/14/67/26/212146726.db2.gz AJELBIJZOLEEOI-UHFFFAOYSA-N 1 1 343.424 0.658 50 0 ECAAMO COc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019589954 212048098 /nfs/dbraw/zinc/04/80/98/212048098.db2.gz FVBIWGCMRCFHJH-CQSZACIVSA-N 1 1 345.403 0.126 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1 ZINC000019527851 212039933 /nfs/dbraw/zinc/03/99/33/212039933.db2.gz UBRXXSOHSLIYAK-UHFFFAOYSA-N 1 1 339.461 0.925 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000019536918 212040024 /nfs/dbraw/zinc/04/00/24/212040024.db2.gz QZESCZHYCGPVMG-MRXNPFEDSA-N 1 1 347.415 0.327 50 0 ECAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C3=NN(C)C(=O)CC3)C2)CC1 ZINC000012075601 211285828 /nfs/dbraw/zinc/28/58/28/211285828.db2.gz HQUACAGUKXQZJK-CYBMUJFWSA-N 1 1 335.452 0.269 50 0 ECAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)C3=NN(C)C(=O)CC3)C2)CC1 ZINC000012075601 211285830 /nfs/dbraw/zinc/28/58/30/211285830.db2.gz HQUACAGUKXQZJK-CYBMUJFWSA-N 1 1 335.452 0.269 50 0 ECAAMO COc1cccc(OC2CN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C2)c1 ZINC000091535441 218018779 /nfs/dbraw/zinc/01/87/79/218018779.db2.gz JAELQCLBGNTWSU-ZDUSSCGKSA-N 1 1 347.415 0.482 50 0 ECAAMO CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011768106 211246723 /nfs/dbraw/zinc/24/67/23/211246723.db2.gz FRPLSPIZLUNFPV-MRXNPFEDSA-N 1 1 347.459 0.554 50 0 ECAAMO CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011768106 211246726 /nfs/dbraw/zinc/24/67/26/211246726.db2.gz FRPLSPIZLUNFPV-MRXNPFEDSA-N 1 1 347.459 0.554 50 0 ECAAMO CCn1nc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000091665094 218044785 /nfs/dbraw/zinc/04/47/85/218044785.db2.gz RWRXFLZNJFQJIP-HZPDHXFCSA-N 1 1 349.479 0.139 50 0 ECAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)N1CCOCC1 ZINC000091807063 218068808 /nfs/dbraw/zinc/06/88/08/218068808.db2.gz ZAGVJUDMMFIWRA-HUUCEWRRSA-N 1 1 331.420 0.236 50 0 ECAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)N1CCOCC1 ZINC000091807063 218068811 /nfs/dbraw/zinc/06/88/11/218068811.db2.gz ZAGVJUDMMFIWRA-HUUCEWRRSA-N 1 1 331.420 0.236 50 0 ECAAMO COCC[C@]1(O)CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000091849341 218077621 /nfs/dbraw/zinc/07/76/21/218077621.db2.gz TUBTUORQWMDXGM-PNBKFKSVSA-N 1 1 328.453 0.732 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@@H]1CO ZINC000091973668 218097338 /nfs/dbraw/zinc/09/73/38/218097338.db2.gz GZHXGQRFKREKBK-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@@H]1CO ZINC000091973668 218097340 /nfs/dbraw/zinc/09/73/40/218097340.db2.gz GZHXGQRFKREKBK-IAGOWNOFSA-N 1 1 349.475 0.495 50 0 ECAAMO Cc1c[nH]c(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n1 ZINC000092064770 218113190 /nfs/dbraw/zinc/11/31/90/218113190.db2.gz BYBHDZFQOURIIE-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1c[nH]c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1 ZINC000092064770 218113193 /nfs/dbraw/zinc/11/31/93/218113193.db2.gz BYBHDZFQOURIIE-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cc1c[nH]c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1 ZINC000092064770 218113194 /nfs/dbraw/zinc/11/31/94/218113194.db2.gz BYBHDZFQOURIIE-HUUCEWRRSA-N 1 1 335.452 0.036 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000010339669 211167784 /nfs/dbraw/zinc/16/77/84/211167784.db2.gz DRALYSISWLKZDD-ZDUSSCGKSA-N 1 1 342.399 0.686 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000010339669 211167788 /nfs/dbraw/zinc/16/77/88/211167788.db2.gz DRALYSISWLKZDD-ZDUSSCGKSA-N 1 1 342.399 0.686 50 0 ECAAMO Cn1c2ccc(NC(=O)C[NH+]3CCCCC3)cc2n(C)c(=O)c1=O ZINC000009879791 211130157 /nfs/dbraw/zinc/13/01/57/211130157.db2.gz MNXVSOOJAXYTAK-UHFFFAOYSA-N 1 1 330.388 0.662 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000241588113 258000769 /nfs/dbraw/zinc/00/07/69/258000769.db2.gz OZTOACISTCUQGA-GJZGRUSLSA-N 1 1 343.493 0.791 50 0 ECAAMO CSc1ncc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC000299772135 258084404 /nfs/dbraw/zinc/08/44/04/258084404.db2.gz YQFLAKRSNKOVRU-UHFFFAOYSA-N 1 1 349.460 0.671 50 0 ECAAMO COc1ccc(CCNC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)cc1 ZINC000299786082 258093158 /nfs/dbraw/zinc/09/31/58/258093158.db2.gz STVPSBNJKYDNBI-CVEARBPZSA-N 1 1 345.443 0.954 50 0 ECAAMO COc1ccc(CCNC(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)cc1 ZINC000299786082 258093159 /nfs/dbraw/zinc/09/31/59/258093159.db2.gz STVPSBNJKYDNBI-CVEARBPZSA-N 1 1 345.443 0.954 50 0 ECAAMO CO[C@]12CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)[C@H]1C[C@@H](O)CC2 ZINC000299797710 258101996 /nfs/dbraw/zinc/10/19/96/258101996.db2.gz QAZCOXSEIGPBKA-DHSIGJKJSA-N 1 1 345.399 0.904 50 0 ECAAMO NC(=O)NCC(=O)NCC[C@@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000067886341 295082184 /nfs/dbraw/zinc/08/21/84/295082184.db2.gz WYRJQUWXDMCWDX-CQSZACIVSA-N 1 1 326.441 0.585 50 0 ECAAMO O=C(Cc1cscn1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091616821 295559509 /nfs/dbraw/zinc/55/95/09/295559509.db2.gz NWMGBAGLHFHFGC-CHWSQXEVSA-N 1 1 325.434 0.085 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000069844255 435967672 /nfs/dbraw/zinc/96/76/72/435967672.db2.gz IVGDNDRJJMWVLS-CYBMUJFWSA-N 1 1 349.456 0.650 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000069818358 435967983 /nfs/dbraw/zinc/96/79/83/435967983.db2.gz DBYUQLLHMHQHOW-HUUCEWRRSA-N 1 1 331.482 0.743 50 0 ECAAMO CS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000069814463 435968956 /nfs/dbraw/zinc/96/89/56/435968956.db2.gz LWUHSPBKSHCOQN-AWEZNQCLSA-N 1 1 325.434 0.433 50 0 ECAAMO O[C@@H](C[NH+]1CCN(Cc2nnnn2C2CC2)CC1)c1ccccc1 ZINC000069818055 435969178 /nfs/dbraw/zinc/96/91/78/435969178.db2.gz XNPBVVALXZOVPG-INIZCTEOSA-N 1 1 328.420 0.859 50 0 ECAAMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(C)c3c2)C1 ZINC000069601812 435950305 /nfs/dbraw/zinc/95/03/05/435950305.db2.gz OLCHQFAMJYWSKK-GFCCVEGCSA-N 1 1 346.387 0.671 50 0 ECAAMO Cn1cc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cn1 ZINC000069655041 435954790 /nfs/dbraw/zinc/95/47/90/435954790.db2.gz YWWNEDFISUDSSA-QGZVFWFLSA-N 1 1 330.432 0.978 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000069632886 435954900 /nfs/dbraw/zinc/95/49/00/435954900.db2.gz QLSQRDWVDMUKOE-CQSZACIVSA-N 1 1 329.470 0.641 50 0 ECAAMO COc1ccccc1CCNC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000069652442 435955279 /nfs/dbraw/zinc/95/52/79/435955279.db2.gz CKOVFSNDFVRNQQ-OAHLLOKOSA-N 1 1 335.448 0.352 50 0 ECAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071415573 436005692 /nfs/dbraw/zinc/00/56/92/436005692.db2.gz UQPMHXYTHSYXLO-INIZCTEOSA-N 1 1 346.475 0.867 50 0 ECAAMO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCC[N@H+]1CC1CC1 ZINC000071738762 436009559 /nfs/dbraw/zinc/00/95/59/436009559.db2.gz XHFDGFBXZDFEGR-AWEZNQCLSA-N 1 1 334.420 0.646 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000071808739 436014546 /nfs/dbraw/zinc/01/45/46/436014546.db2.gz GCPRBBFEOHSLBN-ILXRZTDVSA-N 1 1 345.447 0.768 50 0 ECAAMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@H]1CCCCO1)c(=O)n2C ZINC000071828201 436016232 /nfs/dbraw/zinc/01/62/32/436016232.db2.gz CONVTQRVZWESNU-CYBMUJFWSA-N 1 1 349.435 0.325 50 0 ECAAMO C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)n1cc(Br)cn1 ZINC000071871326 436020783 /nfs/dbraw/zinc/02/07/83/436020783.db2.gz QRVFXGUDWGDPEN-WDEREUQCSA-N 1 1 345.241 0.732 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC000071875118 436021998 /nfs/dbraw/zinc/02/19/98/436021998.db2.gz SHQUBOBKFHFIHJ-LSDHHAIUSA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC000071875118 436022003 /nfs/dbraw/zinc/02/20/03/436022003.db2.gz SHQUBOBKFHFIHJ-LSDHHAIUSA-N 1 1 348.451 0.226 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 ZINC000071871388 436022381 /nfs/dbraw/zinc/02/23/81/436022381.db2.gz UISNPOAPTMJXSX-NVXWUHKLSA-N 1 1 328.416 0.998 50 0 ECAAMO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000071921703 436029859 /nfs/dbraw/zinc/02/98/59/436029859.db2.gz AECHNXASKNPIMK-RYUDHWBXSA-N 1 1 332.422 0.301 50 0 ECAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000009060452 436033228 /nfs/dbraw/zinc/03/32/28/436033228.db2.gz BYLTYRVWCXLGTR-UHFFFAOYSA-N 1 1 338.371 0.771 50 0 ECAAMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)CC2 ZINC000072268009 436036524 /nfs/dbraw/zinc/03/65/24/436036524.db2.gz RVCAWIGCJOPJJB-NSHDSACASA-N 1 1 334.449 0.778 50 0 ECAAMO O=C(c1c[nH]c(=O)[nH]1)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000072611098 436049895 /nfs/dbraw/zinc/04/98/95/436049895.db2.gz MXYUUCXZBHIQCD-UHFFFAOYSA-N 1 1 342.399 0.638 50 0 ECAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000024241147 436131593 /nfs/dbraw/zinc/13/15/93/436131593.db2.gz OKUGHLLKVSZQJS-CYBMUJFWSA-N 1 1 342.403 0.219 50 0 ECAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000024241147 436131599 /nfs/dbraw/zinc/13/15/99/436131599.db2.gz OKUGHLLKVSZQJS-CYBMUJFWSA-N 1 1 342.403 0.219 50 0 ECAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H]3COCCO3)CC2)c1 ZINC000025015900 436141020 /nfs/dbraw/zinc/14/10/20/436141020.db2.gz UXONLNKSVPUCMY-KRWDZBQOSA-N 1 1 333.432 0.649 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000025232513 436148810 /nfs/dbraw/zinc/14/88/10/436148810.db2.gz HMDBCAWRVQIBRQ-UHFFFAOYSA-N 1 1 329.400 0.789 50 0 ECAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)NC1CCOCC1 ZINC000075129277 436152963 /nfs/dbraw/zinc/15/29/63/436152963.db2.gz SPUAMJBETGMNPT-SFHVURJKSA-N 1 1 347.459 0.633 50 0 ECAAMO CC[N@@H+]1CCO[C@H](CN2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129526 436152978 /nfs/dbraw/zinc/15/29/78/436152978.db2.gz ZHUHRYDKWPWRHA-AWEZNQCLSA-N 1 1 339.402 0.904 50 0 ECAAMO CC[N@H+]1CCO[C@H](CN2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129526 436152984 /nfs/dbraw/zinc/15/29/84/436152984.db2.gz ZHUHRYDKWPWRHA-AWEZNQCLSA-N 1 1 339.402 0.904 50 0 ECAAMO CCN1CCO[C@H](C[NH+]2CCN(CCOCC(F)(F)F)CC2)C1 ZINC000075129526 436152988 /nfs/dbraw/zinc/15/29/88/436152988.db2.gz ZHUHRYDKWPWRHA-AWEZNQCLSA-N 1 1 339.402 0.904 50 0 ECAAMO C[NH+](C)[C@H](C(=O)N1CCN(C[C@H]2COCCO2)CC1)c1ccccc1 ZINC000075138213 436153049 /nfs/dbraw/zinc/15/30/49/436153049.db2.gz GRHLBVBOADDYJM-ROUUACIJSA-N 1 1 347.459 0.849 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1OC ZINC000032251782 436236063 /nfs/dbraw/zinc/23/60/63/436236063.db2.gz RDGYQSPISLHFRH-NSHDSACASA-N 1 1 341.433 0.557 50 0 in-vitro ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1OC ZINC000032251779 436236361 /nfs/dbraw/zinc/23/63/61/436236361.db2.gz RDGYQSPISLHFRH-LLVKDONJSA-N 1 1 341.433 0.557 50 0 in-vitro ECAAMO [NH3+]CCn1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)nn1 ZINC000077515817 436240150 /nfs/dbraw/zinc/24/01/50/436240150.db2.gz DLUDGKXBNNKCTI-UHFFFAOYSA-N 1 1 342.447 0.846 50 0 ECAAMO CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C1CC1 ZINC000076055359 436189762 /nfs/dbraw/zinc/18/97/62/436189762.db2.gz BNXUKWONGCVBRO-RHSMWYFYSA-N 1 1 336.480 0.482 50 0 ECAAMO C[C@@](O)(CNC(=O)[C@@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000076092356 436191007 /nfs/dbraw/zinc/19/10/07/436191007.db2.gz SCVBSPLZOBWYDC-CRAIPNDOSA-N 1 1 334.416 0.752 50 0 ECAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000077322443 436230834 /nfs/dbraw/zinc/23/08/34/436230834.db2.gz CVTLTFXGMLAAHE-INIZCTEOSA-N 1 1 328.420 0.409 50 0 ECAAMO CN1CC(=O)N(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000042003997 436292110 /nfs/dbraw/zinc/29/21/10/436292110.db2.gz AZJHAJKBEOGVRO-UHFFFAOYSA-N 1 1 344.415 0.267 50 0 ECAAMO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[N@H+](C)C1CC1 ZINC000079111337 436292178 /nfs/dbraw/zinc/29/21/78/436292178.db2.gz WCFNGSZUROFRGV-GFCCVEGCSA-N 1 1 342.403 0.805 50 0 ECAAMO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[N@@H+](C)C1CC1 ZINC000079111337 436292185 /nfs/dbraw/zinc/29/21/85/436292185.db2.gz WCFNGSZUROFRGV-GFCCVEGCSA-N 1 1 342.403 0.805 50 0 ECAAMO Cn1nnc2cc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000078788688 436277220 /nfs/dbraw/zinc/27/72/20/436277220.db2.gz YMZHOFNBXDFZSM-CVEARBPZSA-N 1 1 329.404 0.640 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)no1 ZINC000078891136 436280667 /nfs/dbraw/zinc/28/06/67/436280667.db2.gz CSESXSRWYNKXJB-HNNXBMFYSA-N 1 1 344.419 0.596 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)no1 ZINC000078891136 436280673 /nfs/dbraw/zinc/28/06/73/436280673.db2.gz CSESXSRWYNKXJB-HNNXBMFYSA-N 1 1 344.419 0.596 50 0 ECAAMO O=C(CN1CCSC1=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000044911293 436352365 /nfs/dbraw/zinc/35/23/65/436352365.db2.gz NPEXGRBXULMROC-ZDUSSCGKSA-N 1 1 327.450 0.869 50 0 ECAAMO Cc1nc2ccccc2n1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000042768061 436316742 /nfs/dbraw/zinc/31/67/42/436316742.db2.gz BFRBWTLCIQAAAA-UHFFFAOYSA-N 1 1 329.404 0.411 50 0 ECAAMO Cc1cc(N2CC[NH+](CCO)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000045723716 436374145 /nfs/dbraw/zinc/37/41/45/436374145.db2.gz AJMGWRKLIKAIKF-UHFFFAOYSA-N 1 1 330.314 0.566 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000083881867 436377407 /nfs/dbraw/zinc/37/74/07/436377407.db2.gz OHESBRXRPYAMFA-ZDUSSCGKSA-N 1 1 336.367 0.709 50 0 ECAAMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000085468187 436389345 /nfs/dbraw/zinc/38/93/45/436389345.db2.gz DKMBEXXXQIGPDL-OAHLLOKOSA-N 1 1 346.475 0.873 50 0 ECAAMO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000048027266 436438646 /nfs/dbraw/zinc/43/86/46/436438646.db2.gz ATANKLLVFDMYDH-ZDUSSCGKSA-N 1 1 333.388 0.571 50 0 ECAAMO CCN(CC)c1ccc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)cn1 ZINC000048176676 436443120 /nfs/dbraw/zinc/44/31/20/436443120.db2.gz VZLZUXHNKUYFII-UHFFFAOYSA-N 1 1 348.451 0.999 50 0 ECAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000091364810 436450140 /nfs/dbraw/zinc/45/01/40/436450140.db2.gz QMDNCFMQEBPLGE-CQSZACIVSA-N 1 1 347.463 0.484 50 0 ECAAMO O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000089834778 436418081 /nfs/dbraw/zinc/41/80/81/436418081.db2.gz WVDJIASFOLGTLV-SJORKVTESA-N 1 1 343.427 0.721 50 0 ECAAMO C[C@@H](CNC(=O)c1nccnc1N)[NH+]1CCN(c2ccccc2)CC1 ZINC000089901707 436419991 /nfs/dbraw/zinc/41/99/91/436419991.db2.gz FVPANKZCJFRYMU-AWEZNQCLSA-N 1 1 340.431 0.999 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000089938303 436420757 /nfs/dbraw/zinc/42/07/57/436420757.db2.gz IDUVCSTXPAMNIF-NSHDSACASA-N 1 1 339.827 0.743 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000089938303 436420758 /nfs/dbraw/zinc/42/07/58/436420758.db2.gz IDUVCSTXPAMNIF-NSHDSACASA-N 1 1 339.827 0.743 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096116310 436513881 /nfs/dbraw/zinc/51/38/81/436513881.db2.gz YZXYDZWYDCECLP-WFASDCNBSA-N 1 1 344.415 0.728 50 0 ECAAMO COCc1cc(CNC(=O)Nc2cc(C)nn2CC[NH+](C)C)n[nH]1 ZINC000096162977 436517490 /nfs/dbraw/zinc/51/74/90/436517490.db2.gz ZNKDZZSQJHMGDH-UHFFFAOYSA-N 1 1 335.412 0.944 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(O)c1 ZINC000095368318 436491443 /nfs/dbraw/zinc/49/14/43/436491443.db2.gz WPAFVQOWGDNDDA-HZPDHXFCSA-N 1 1 347.459 0.629 50 0 ECAAMO C[C@@H](c1ccccn1)[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000095992682 436503388 /nfs/dbraw/zinc/50/33/88/436503388.db2.gz XCPUCJGKDFYWRO-LBPRGKRZSA-N 1 1 342.403 0.522 50 0 ECAAMO Cn1c2ccccc2nc(C(=O)NCCC[NH+]2CCOCC2)c1=O ZINC000097642402 436543634 /nfs/dbraw/zinc/54/36/34/436543634.db2.gz KFLZRUBOTBLURE-UHFFFAOYSA-N 1 1 330.388 0.386 50 0 ECAAMO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000058330338 436624080 /nfs/dbraw/zinc/62/40/80/436624080.db2.gz RVXJFUFRWUWDTC-UHFFFAOYSA-N 1 1 343.387 0.511 50 0 ECAAMO CCN(CC(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000058420260 436626506 /nfs/dbraw/zinc/62/65/06/436626506.db2.gz ZNXJXUXHXAFKJM-UHFFFAOYSA-N 1 1 332.448 0.840 50 0 ECAAMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000106585300 436600079 /nfs/dbraw/zinc/60/00/79/436600079.db2.gz YNKFGTGAIQDPMK-ZIAGYGMSSA-N 1 1 349.497 0.826 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604470 /nfs/dbraw/zinc/60/44/70/436604470.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 1 1 335.492 0.866 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604474 /nfs/dbraw/zinc/60/44/74/436604474.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 1 1 335.492 0.866 50 0 ECAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553432 436613492 /nfs/dbraw/zinc/61/34/92/436613492.db2.gz JMTWUEJCSHSEQL-SNVBAGLBSA-N 1 1 339.417 0.309 50 0 ECAAMO CN(C)C(=O)c1ccc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc1 ZINC000107702277 436615236 /nfs/dbraw/zinc/61/52/36/436615236.db2.gz JKEUQCOPGSHKBB-GOSISDBHSA-N 1 1 345.447 0.574 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N)nc2)CC1=O ZINC000151613528 436706499 /nfs/dbraw/zinc/70/64/99/436706499.db2.gz BKGGIKQLHYJYRI-TZMCWYRMSA-N 1 1 331.420 0.935 50 0 ECAAMO OCCC[N@H+]1CCN(Cc2nccn2Cc2ccccc2)C[C@H](O)C1 ZINC000225347456 436710146 /nfs/dbraw/zinc/71/01/46/436710146.db2.gz ZMPVDWWVEUCXAD-GOSISDBHSA-N 1 1 344.459 0.792 50 0 ECAAMO CO[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000225652942 436713632 /nfs/dbraw/zinc/71/36/32/436713632.db2.gz OJXOKTFSHKWKJP-SOUVJXGZSA-N 1 1 340.468 0.783 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2nnc3n2CCC3)C1 ZINC000065564838 436668326 /nfs/dbraw/zinc/66/83/26/436668326.db2.gz RXJZRAVKMGDYTC-ZDUSSCGKSA-N 1 1 336.440 0.380 50 0 ECAAMO C[C@H]1CN(C2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CCO1 ZINC000237600935 436739538 /nfs/dbraw/zinc/73/95/38/436739538.db2.gz KTSKCZVTDMQWFZ-HOCLYGCPSA-N 1 1 325.453 0.467 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000272564680 436718543 /nfs/dbraw/zinc/71/85/43/436718543.db2.gz KBZDKCMJEBXDOH-GOEBONIOSA-N 1 1 346.431 0.786 50 0 ECAAMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000069513554 436776899 /nfs/dbraw/zinc/77/68/99/436776899.db2.gz UFGLPOQHDLXNCB-GOSISDBHSA-N 1 1 345.443 0.798 50 0 ECAAMO Cc1csc2nc(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cc(=O)n12 ZINC000247438818 436793419 /nfs/dbraw/zinc/79/34/19/436793419.db2.gz ZQHGODBJOZKUHV-YPMHNXCESA-N 1 1 336.461 0.951 50 0 ECAAMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000252513382 436836791 /nfs/dbraw/zinc/83/67/91/436836791.db2.gz ZJBHCBQLIZHLEX-JKSUJKDBSA-N 1 1 331.416 0.624 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CC[N@@H+](C)[C@H]2CCN(C)C2)o1 ZINC000252501288 436837007 /nfs/dbraw/zinc/83/70/07/436837007.db2.gz UDMMADPLBZHTLE-ZDUSSCGKSA-N 1 1 336.436 0.624 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CCN(C)[C@H]2CC[N@H+](C)C2)o1 ZINC000252501288 436837010 /nfs/dbraw/zinc/83/70/10/436837010.db2.gz UDMMADPLBZHTLE-ZDUSSCGKSA-N 1 1 336.436 0.624 50 0 ECAAMO CN(C)C(=O)c1ccc(CNC(=O)CCN(C)[C@H]2CC[N@@H+](C)C2)o1 ZINC000252501288 436837015 /nfs/dbraw/zinc/83/70/15/436837015.db2.gz UDMMADPLBZHTLE-ZDUSSCGKSA-N 1 1 336.436 0.624 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C)CC1 ZINC000257366090 436877501 /nfs/dbraw/zinc/87/75/01/436877501.db2.gz IMIWBHWFVALGMX-RYQLBKOJSA-N 1 1 349.479 0.119 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC(c3ccncc3)C2)C1 ZINC000426358533 438053760 /nfs/dbraw/zinc/05/37/60/438053760.db2.gz OKLPGGRQDOQYTN-OAHLLOKOSA-N 1 1 345.447 0.778 50 0 ECAAMO COc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)ccc1OCC[NH3+] ZINC000426405822 438056096 /nfs/dbraw/zinc/05/60/96/438056096.db2.gz WJFOMJSQKAFXQW-GJZGRUSLSA-N 1 1 349.431 0.626 50 0 ECAAMO Cn1ccnc1CN1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426490298 438059476 /nfs/dbraw/zinc/05/94/76/438059476.db2.gz ZRBASKSXOJZHPT-CYBMUJFWSA-N 1 1 343.435 0.618 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426428889 438060904 /nfs/dbraw/zinc/06/09/04/438060904.db2.gz RFQZABNTCQZMCQ-AWEZNQCLSA-N 1 1 348.451 0.496 50 0 ECAAMO OC1CN(c2nc(NCc3ccccn3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426511820 438062240 /nfs/dbraw/zinc/06/22/40/438062240.db2.gz VBCVQUJMRVQIFK-GFCCVEGCSA-N 1 1 327.388 1.169 50 0 ECAAMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC000426503931 438063132 /nfs/dbraw/zinc/06/31/32/438063132.db2.gz DIYMYNSQMBWZEQ-VXGBXAGGSA-N 1 1 325.434 0.310 50 0 ECAAMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)s1 ZINC000426503931 438063136 /nfs/dbraw/zinc/06/31/36/438063136.db2.gz DIYMYNSQMBWZEQ-VXGBXAGGSA-N 1 1 325.434 0.310 50 0 ECAAMO Cc1noc(CN(C)C(=O)NCCC[N@H+]2CCCC[C@@H]2CO)n1 ZINC000426510559 438063483 /nfs/dbraw/zinc/06/34/83/438063483.db2.gz BKAUYYDBXHOXFB-CYBMUJFWSA-N 1 1 325.413 0.756 50 0 ECAAMO OCCNc1nc(NCc2ccc(CO)cc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426652832 438070582 /nfs/dbraw/zinc/07/05/82/438070582.db2.gz FWDQTFVBQKJKIO-HNNXBMFYSA-N 1 1 344.415 0.333 50 0 ECAAMO O=C(Cn1nnc2ccccc21)NCc1cn(-c2cc[nH+]cc2)nn1 ZINC000390831379 438434304 /nfs/dbraw/zinc/43/43/04/438434304.db2.gz RMKXCHBIDOOQFD-UHFFFAOYSA-N 1 1 334.343 0.723 50 0 ECAAMO COCC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000408516533 438581544 /nfs/dbraw/zinc/58/15/44/438581544.db2.gz CZTPPVGEUBBOPO-UHFFFAOYSA-N 1 1 333.388 0.319 50 0 ECAAMO CNC(=O)C[NH+]1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575414212 438748208 /nfs/dbraw/zinc/74/82/08/438748208.db2.gz SUOIGSDVTKDRRV-UHFFFAOYSA-N 1 1 338.433 0.398 50 0 ECAAMO CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cn1C ZINC000583651171 439495585 /nfs/dbraw/zinc/49/55/85/439495585.db2.gz GIEBOFBNKBZUGV-CQSZACIVSA-N 1 1 340.449 0.099 50 0 ECAAMO C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C(=O)N(C)C)o1 ZINC000534583487 439530064 /nfs/dbraw/zinc/53/00/64/439530064.db2.gz PWRAKFYDJJZENQ-JTQLQIEISA-N 1 1 329.422 0.541 50 0 ECAAMO C[C@@]1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CCC(=O)NC1 ZINC000585129154 439631952 /nfs/dbraw/zinc/63/19/52/439631952.db2.gz ZLCRRYLUISHJLT-GOSISDBHSA-N 1 1 330.432 0.685 50 0 ECAAMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C1=O ZINC000585094357 439627502 /nfs/dbraw/zinc/62/75/02/439627502.db2.gz OHDAUGZAQJHJQC-HZSPNIEDSA-N 1 1 326.437 0.879 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000173106080 320517955 /nfs/dbraw/zinc/51/79/55/320517955.db2.gz RPKUOUIXGYFZHH-MRXNPFEDSA-N 1 1 343.431 0.855 50 0 ECAAMO Cc1nnc2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cn12 ZINC000084297028 545710421 /nfs/dbraw/zinc/71/04/21/545710421.db2.gz DDVUVUFYUFYPGA-LSDHHAIUSA-N 1 1 329.404 0.709 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735589 545713604 /nfs/dbraw/zinc/71/36/04/545713604.db2.gz XGEDIGUKMQIZGI-QGPMSJSTSA-N 1 1 337.464 0.860 50 0 ECAAMO CC[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735918 545713731 /nfs/dbraw/zinc/71/37/31/545713731.db2.gz YWFVYLIBOSNBBA-LSDHHAIUSA-N 1 1 334.420 0.121 50 0 ECAAMO CC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735737 545713913 /nfs/dbraw/zinc/71/39/13/545713913.db2.gz YGWCLCLRNFLKTL-UKRRQHHQSA-N 1 1 338.452 0.346 50 0 ECAAMO CCNC(=O)c1ccc(C)c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000097377566 545731868 /nfs/dbraw/zinc/73/18/68/545731868.db2.gz SVOUMIOWBDRXMN-QGZVFWFLSA-N 1 1 334.420 0.933 50 0 ECAAMO Nc1ncc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(C(F)(F)F)n1 ZINC000244734655 545935968 /nfs/dbraw/zinc/93/59/68/545935968.db2.gz NJPFGPNBIGKKDQ-VIFPVBQESA-N 1 1 347.341 0.654 50 0 ECAAMO CCCc1cc(CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)on1 ZINC000670446524 548013731 /nfs/dbraw/zinc/01/37/31/548013731.db2.gz JWYLUGDGPBLYOX-ZDUSSCGKSA-N 1 1 343.449 0.752 50 0 ECAAMO CCCc1cc(CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)on1 ZINC000670446524 548013735 /nfs/dbraw/zinc/01/37/35/548013735.db2.gz JWYLUGDGPBLYOX-ZDUSSCGKSA-N 1 1 343.449 0.752 50 0 ECAAMO CN(Cc1ccccc1F)C(=O)[C@]12C[N@@H+](CC(N)=O)C[C@@H]1COCC2 ZINC000685940520 549727140 /nfs/dbraw/zinc/72/71/40/549727140.db2.gz NGOZVRLCDXBEHW-RDTXWAMCSA-N 1 1 349.406 0.608 50 0 ECAAMO Ic1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)cn1 ZINC000685944814 549729727 /nfs/dbraw/zinc/72/97/27/549729727.db2.gz AFMUJUYTHVTOHP-VIFPVBQESA-N 1 1 346.172 0.602 50 0 ECAAMO Ic1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)cn1 ZINC000685944814 549729730 /nfs/dbraw/zinc/72/97/30/549729730.db2.gz AFMUJUYTHVTOHP-VIFPVBQESA-N 1 1 346.172 0.602 50 0 ECAAMO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)nn1-c1ccc(F)cc1 ZINC000888093713 586348523 /nfs/dbraw/zinc/34/85/23/586348523.db2.gz XJWJZTLZVIWZDR-CQSZACIVSA-N 1 1 347.394 0.901 50 0 ECAAMO COCCn1c(C)c[nH+]c1CCNS(=O)(=O)c1c(C)noc1C ZINC000169788124 609746520 /nfs/dbraw/zinc/74/65/20/609746520.db2.gz ZUEUZYLZWKIJMP-UHFFFAOYSA-N 1 1 342.421 0.964 50 0 ECAAMO Cc1[nH+]ccn1CC(=O)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000948970539 611777892 /nfs/dbraw/zinc/77/78/92/611777892.db2.gz WXLDJJGIXBJJOF-OAHLLOKOSA-N 1 1 334.420 0.583 50 0 ECAAMO CC(C)C[N@H+]1CCN(C(=O)CN2CCCCC2=O)C[C@H]1CCO ZINC000952971384 612139323 /nfs/dbraw/zinc/13/93/23/612139323.db2.gz DNXGANNJXYANES-OAHLLOKOSA-N 1 1 325.453 0.550 50 0 ECAAMO OC[C@@H]1CCCC[N@@H+]1CCNCc1cnc(N2CCOCC2)nc1 ZINC000952986360 612140334 /nfs/dbraw/zinc/14/03/34/612140334.db2.gz DOJQTIMWFFQVRU-INIZCTEOSA-N 1 1 335.452 0.250 50 0 ECAAMO OC[C@@H]1CCCC[N@H+]1CCNCc1cnc(N2CCOCC2)nc1 ZINC000952986360 612140336 /nfs/dbraw/zinc/14/03/36/612140336.db2.gz DOJQTIMWFFQVRU-INIZCTEOSA-N 1 1 335.452 0.250 50 0 ECAAMO CN(Cc1ccc(Br)o1)C(=O)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000052962175 214157289 /nfs/dbraw/zinc/15/72/89/214157289.db2.gz PIIABAAXEQUDAG-VIFPVBQESA-N 1 1 344.209 0.808 50 0 ECAAMO Cn1cnc(-c2noc(C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)n2)c1 ZINC000097733152 219052081 /nfs/dbraw/zinc/05/20/81/219052081.db2.gz PXXIFUNBTPPDCD-ZDUSSCGKSA-N 1 1 330.392 0.756 50 0 ECAAMO Cn1cnc(-c2noc(C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)n2)c1 ZINC000097733152 219052084 /nfs/dbraw/zinc/05/20/84/219052084.db2.gz PXXIFUNBTPPDCD-ZDUSSCGKSA-N 1 1 330.392 0.756 50 0 ECAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000066185698 215021154 /nfs/dbraw/zinc/02/11/54/215021154.db2.gz FZILHRIHOJYUEN-GFCCVEGCSA-N 1 1 342.465 0.864 50 0 ECAAMO CCN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000067605958 215168810 /nfs/dbraw/zinc/16/88/10/215168810.db2.gz SLNVANQJTRFELC-AWEZNQCLSA-N 1 1 326.466 0.998 50 0 ECAAMO Cc1cn(CC(=O)N2CCC3(CC2)CCC[N@H+](C)CC3)c(=O)[nH]c1=O ZINC000067673143 215176389 /nfs/dbraw/zinc/17/63/89/215176389.db2.gz HIVDRKBYISUJNP-UHFFFAOYSA-N 1 1 348.447 0.570 50 0 ECAAMO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000067675330 215180461 /nfs/dbraw/zinc/18/04/61/215180461.db2.gz QDXUMSXXSSKQGJ-AWEZNQCLSA-N 1 1 347.467 0.729 50 0 ECAAMO Cc1nnc(SCCC(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)s1 ZINC000067679266 215184039 /nfs/dbraw/zinc/18/40/39/215184039.db2.gz ZGHRRRWZLLUTOW-RYUDHWBXSA-N 1 1 341.506 0.833 50 0 ECAAMO Cc1nnc(SCCC(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)s1 ZINC000067679266 215184042 /nfs/dbraw/zinc/18/40/42/215184042.db2.gz ZGHRRRWZLLUTOW-RYUDHWBXSA-N 1 1 341.506 0.833 50 0 ECAAMO Cc1nnc(SCCC(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)s1 ZINC000067679266 215184044 /nfs/dbraw/zinc/18/40/44/215184044.db2.gz ZGHRRRWZLLUTOW-RYUDHWBXSA-N 1 1 341.506 0.833 50 0 ECAAMO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(CN2CCCC2)o1 ZINC000067774974 215210425 /nfs/dbraw/zinc/21/04/25/215210425.db2.gz GOYOVFQNGJGXGF-ZFWWWQNUSA-N 1 1 348.447 0.942 50 0 ECAAMO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000067783771 215211019 /nfs/dbraw/zinc/21/10/19/215211019.db2.gz KKUZYEAMZHIWTM-KBPBESRZSA-N 1 1 342.403 0.538 50 0 ECAAMO Cc1ccnc(NCCNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000067884843 215240754 /nfs/dbraw/zinc/24/07/54/215240754.db2.gz CVIZCUICMIFYTK-AWEZNQCLSA-N 1 1 343.435 0.823 50 0 ECAAMO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](CCO)CC1 ZINC000069326426 215378715 /nfs/dbraw/zinc/37/87/15/215378715.db2.gz NMNBHYGJNJNCEJ-ZDUSSCGKSA-N 1 1 342.237 0.585 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000040489025 213317807 /nfs/dbraw/zinc/31/78/07/213317807.db2.gz HAQXPFIZWTUWCE-UHFFFAOYSA-N 1 1 341.415 0.611 50 0 ECAAMO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1CCO ZINC000187260691 236161062 /nfs/dbraw/zinc/16/10/62/236161062.db2.gz LEMNAYYOEKEORE-HOCLYGCPSA-N 1 1 325.453 0.155 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NS(=O)(=O)NCc1ccccc1 ZINC000072141721 216026963 /nfs/dbraw/zinc/02/69/63/216026963.db2.gz AIQNWDBZNQNPFA-GJZGRUSLSA-N 1 1 327.450 0.718 50 0 ECAAMO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc3n(n2)CCNC3)CC1 ZINC000072129624 216021272 /nfs/dbraw/zinc/02/12/72/216021272.db2.gz ZRPXRWCOUVJCKJ-UHFFFAOYSA-N 1 1 346.479 0.292 50 0 ECAAMO O=C(CCOc1ccccc1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072135466 216025151 /nfs/dbraw/zinc/02/51/51/216025151.db2.gz IFHYYAVCFMFLTA-MRXNPFEDSA-N 1 1 347.415 0.115 50 0 ECAAMO CCCc1nc2c(cnn2C)c(NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000072167057 216056810 /nfs/dbraw/zinc/05/68/10/216056810.db2.gz CLBOIKWRLXPBSA-UHFFFAOYSA-N 1 1 331.424 0.677 50 0 ECAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[NH2+]CCN1C(=O)C1CCOCC1 ZINC000072169465 216061139 /nfs/dbraw/zinc/06/11/39/216061139.db2.gz ZPGMPGMAWSADKI-HNNXBMFYSA-N 1 1 335.379 0.991 50 0 ECAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)N1CCNC1=O ZINC000072400973 216194162 /nfs/dbraw/zinc/19/41/62/216194162.db2.gz ARAZHXYWZAUZLP-UHFFFAOYSA-N 1 1 335.360 0.556 50 0 ECAAMO Cc1nc(CC2CCN(C(=O)[C@H]3[NH2+]CCc4nc[nH]c43)CC2)no1 ZINC000072429618 216221671 /nfs/dbraw/zinc/22/16/71/216221671.db2.gz JXFUKPMWGLMFMI-HNNXBMFYSA-N 1 1 330.392 0.769 50 0 ECAAMO C[NH+](C)CCOc1ccccc1C[N@H+]1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072430177 216222015 /nfs/dbraw/zinc/22/20/15/216222015.db2.gz GDSNLULDFLGYIG-KBXCAEBGSA-N 1 1 347.415 0.260 50 0 ECAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ncccn3)CC2)[nH+]1 ZINC000072441241 216235335 /nfs/dbraw/zinc/23/53/35/216235335.db2.gz URVNPDIQJKGBGI-UHFFFAOYSA-N 1 1 327.392 0.603 50 0 ECAAMO Cc1cc(Cl)ccc1OC[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000022130554 212278242 /nfs/dbraw/zinc/27/82/42/212278242.db2.gz MWUUVFQEKHMUFL-OAHLLOKOSA-N 1 1 328.840 0.998 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000215031619 241103534 /nfs/dbraw/zinc/10/35/34/241103534.db2.gz TVVWLALYPFSFOT-CQSZACIVSA-N 1 1 339.461 0.867 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000021642447 212236599 /nfs/dbraw/zinc/23/65/99/212236599.db2.gz WIMMBOLXUCKMFU-MRXNPFEDSA-N 1 1 331.416 0.878 50 0 ECAAMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(N)=O ZINC000229697471 242192239 /nfs/dbraw/zinc/19/22/39/242192239.db2.gz AITVZWXQGUCTEZ-GJZGRUSLSA-N 1 1 337.445 0.999 50 0 ECAAMO O[C@H]1C[N@H+](Cc2cccn2-c2nccs2)C[C@@H]1N1CCOCC1 ZINC000020906020 212187185 /nfs/dbraw/zinc/18/71/85/212187185.db2.gz YPKACJRWANNCGR-GJZGRUSLSA-N 1 1 334.445 0.811 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2cccn2-c2nccs2)C[C@@H]1N1CCOCC1 ZINC000020906020 212187190 /nfs/dbraw/zinc/18/71/90/212187190.db2.gz YPKACJRWANNCGR-GJZGRUSLSA-N 1 1 334.445 0.811 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000020567985 212148305 /nfs/dbraw/zinc/14/83/05/212148305.db2.gz NIOICOZKUBBALJ-UHFFFAOYSA-N 1 1 347.387 0.505 50 0 ECAAMO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCOCC1 ZINC000020355504 212121199 /nfs/dbraw/zinc/12/11/99/212121199.db2.gz BBASNBUMLFTQBS-OAHLLOKOSA-N 1 1 333.388 0.615 50 0 ECAAMO O=C([C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCCCO1 ZINC000019336578 212017820 /nfs/dbraw/zinc/01/78/20/212017820.db2.gz PFGFYJZHDSNVFO-HNNXBMFYSA-N 1 1 339.436 0.501 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cn1 ZINC000078949967 217156069 /nfs/dbraw/zinc/15/60/69/217156069.db2.gz WRAJEZSLKOHVHQ-HNNXBMFYSA-N 1 1 349.460 0.885 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](Nc3ccccc3)C2)cn1 ZINC000078949967 217156072 /nfs/dbraw/zinc/15/60/72/217156072.db2.gz WRAJEZSLKOHVHQ-HNNXBMFYSA-N 1 1 349.460 0.885 50 0 ECAAMO O=C1C[C@]2(CC[N@@H+](Cc3cccc(N4CCOCC4)c3)C2)C(=O)N1 ZINC000082161474 217480967 /nfs/dbraw/zinc/48/09/67/217480967.db2.gz BLHPYFZDEBCMQX-SFHVURJKSA-N 1 1 329.400 0.762 50 0 ECAAMO CCc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)N1CCCOCC1 ZINC000083834240 217558849 /nfs/dbraw/zinc/55/88/49/217558849.db2.gz FMNKLTPVGOAWOP-CQSZACIVSA-N 1 1 342.465 0.877 50 0 ECAAMO Cc1cccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)n1 ZINC000012434842 211380642 /nfs/dbraw/zinc/38/06/42/211380642.db2.gz SGRGHGCLMWKDNU-AWEZNQCLSA-N 1 1 326.466 0.998 50 0 ECAAMO COCC[C@@]1(CO)CCCN(C(=O)CCN2CC[NH+](C)CC2)C1 ZINC000091391330 218001555 /nfs/dbraw/zinc/00/15/55/218001555.db2.gz BTVBDUKLTNMPLP-KRWDZBQOSA-N 1 1 327.469 0.262 50 0 ECAAMO Cc1c[nH]c(C(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CCO)CC3)c1 ZINC000091440649 218006298 /nfs/dbraw/zinc/00/62/98/218006298.db2.gz FNMZVPHKPZEGFP-GOSISDBHSA-N 1 1 348.447 0.454 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)cn1 ZINC000091468449 218010733 /nfs/dbraw/zinc/01/07/33/218010733.db2.gz XHFCKRIYNWUVJL-UHFFFAOYSA-N 1 1 346.435 0.768 50 0 ECAAMO CCn1cc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)cn1 ZINC000091468449 218010736 /nfs/dbraw/zinc/01/07/36/218010736.db2.gz XHFCKRIYNWUVJL-UHFFFAOYSA-N 1 1 346.435 0.768 50 0 ECAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000091562746 218022336 /nfs/dbraw/zinc/02/23/36/218022336.db2.gz BEJDLXTYAJSUSO-OAHLLOKOSA-N 1 1 345.403 0.994 50 0 ECAAMO COCc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)cn1 ZINC000091616794 218031570 /nfs/dbraw/zinc/03/15/70/218031570.db2.gz ZDRAVLMLGZZZPQ-KRWDZBQOSA-N 1 1 334.420 0.430 50 0 ECAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091651634 218041064 /nfs/dbraw/zinc/04/10/64/218041064.db2.gz YMHJFIUNDLBVCB-UKRRQHHQSA-N 1 1 339.399 0.902 50 0 ECAAMO Cc1cc(N)n(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)n1 ZINC000091876684 218082234 /nfs/dbraw/zinc/08/22/34/218082234.db2.gz JWDYNTARKSQIPC-UHFFFAOYSA-N 1 1 343.435 0.503 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091985820 218098619 /nfs/dbraw/zinc/09/86/19/218098619.db2.gz ZKBAXRYVKWZDRY-HZPDHXFCSA-N 1 1 349.479 0.989 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c1C ZINC000092019619 218105041 /nfs/dbraw/zinc/10/50/41/218105041.db2.gz NWOVVRTVGNKFSZ-GOSISDBHSA-N 1 1 347.463 0.772 50 0 ECAAMO Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000095381154 218313826 /nfs/dbraw/zinc/31/38/26/218313826.db2.gz JFJREBBEEOSHNR-OAHLLOKOSA-N 1 1 341.415 0.663 50 0 ECAAMO Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000095381154 218313828 /nfs/dbraw/zinc/31/38/28/218313828.db2.gz JFJREBBEEOSHNR-OAHLLOKOSA-N 1 1 341.415 0.663 50 0 ECAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000067946600 285069304 /nfs/dbraw/zinc/06/93/04/285069304.db2.gz UGEBATHYUYTAJK-OAHLLOKOSA-N 1 1 349.479 0.849 50 0 ECAAMO COCc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000097499640 219030277 /nfs/dbraw/zinc/03/02/77/219030277.db2.gz SGUNBNCNDSUNHL-NSHDSACASA-N 1 1 325.434 0.822 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000299754176 258006076 /nfs/dbraw/zinc/00/60/76/258006076.db2.gz KJAARJLGOCTSAX-QLFBSQMISA-N 1 1 338.452 0.346 50 0 ECAAMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000032941371 258058969 /nfs/dbraw/zinc/05/89/69/258058969.db2.gz VEQLUVSOIISZEV-HNNXBMFYSA-N 1 1 342.399 0.062 50 0 ECAAMO Cn1c(=O)ccn(CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000032941371 258058971 /nfs/dbraw/zinc/05/89/71/258058971.db2.gz VEQLUVSOIISZEV-HNNXBMFYSA-N 1 1 342.399 0.062 50 0 ECAAMO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H](C(N)=O)C1 ZINC000052961374 132185849 /nfs/dbraw/zinc/18/58/49/132185849.db2.gz LUMZFCJWVOLNKP-KGLIPLIRSA-N 1 1 348.422 0.670 50 0 ECAAMO O=C(NCCNc1nc(N2CCC[C@@H](O)C2)cc[nH+]1)c1ccncc1 ZINC000065370293 132809020 /nfs/dbraw/zinc/80/90/20/132809020.db2.gz YGPHAYFHDMAMEV-CQSZACIVSA-N 1 1 342.403 0.675 50 0 ECAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)C[C@@H](C)O1 ZINC000229687616 288200618 /nfs/dbraw/zinc/20/06/18/288200618.db2.gz UFUGTQFKZNJTPU-MGPQQGTHSA-N 1 1 336.436 0.695 50 0 ECAAMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000069697039 435960444 /nfs/dbraw/zinc/96/04/44/435960444.db2.gz YUQYNWYPPDJHSS-CQSZACIVSA-N 1 1 346.431 0.164 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000069848102 435972654 /nfs/dbraw/zinc/97/26/54/435972654.db2.gz QMCQCKLMGZOMEF-SWLSCSKDSA-N 1 1 339.436 0.937 50 0 ECAAMO Cc1ccc2ncc(C(=O)N[C@@H](C)CC[NH+]3CCOCC3)c(=O)n2c1 ZINC000069876462 435974190 /nfs/dbraw/zinc/97/41/90/435974190.db2.gz OLSJACXYRRFBOO-AWEZNQCLSA-N 1 1 344.415 0.844 50 0 ECAAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000070007722 435984187 /nfs/dbraw/zinc/98/41/87/435984187.db2.gz VZYFXAUEDHRFSA-HZPDHXFCSA-N 1 1 347.463 0.749 50 0 ECAAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000070007722 435984191 /nfs/dbraw/zinc/98/41/91/435984191.db2.gz VZYFXAUEDHRFSA-HZPDHXFCSA-N 1 1 347.463 0.749 50 0 ECAAMO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069652505 435954578 /nfs/dbraw/zinc/95/45/78/435954578.db2.gz NSXUXFURZUWNMU-HOTGVXAUSA-N 1 1 327.469 0.308 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000071792666 436009827 /nfs/dbraw/zinc/00/98/27/436009827.db2.gz IDCZXDYHLAJCSN-UHFFFAOYSA-N 1 1 349.431 0.970 50 0 ECAAMO C[C@@H]1NC(C(=O)N2CC[NH+](C3CC3)CC2)=NN(c2ccccc2)C1=O ZINC000071836678 436015625 /nfs/dbraw/zinc/01/56/25/436015625.db2.gz RBWJFVDFWUVAAE-ZDUSSCGKSA-N 1 1 341.415 0.631 50 0 ECAAMO COc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc2c1OCCO2 ZINC000071871053 436020804 /nfs/dbraw/zinc/02/08/04/436020804.db2.gz AZADEINBKZCWND-GFCCVEGCSA-N 1 1 336.388 0.605 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 ZINC000071871387 436020814 /nfs/dbraw/zinc/02/08/14/436020814.db2.gz UISNPOAPTMJXSX-DOTOQJQBSA-N 1 1 328.416 0.998 50 0 ECAAMO CCc1c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cnn1-c1ccccn1 ZINC000071871237 436021659 /nfs/dbraw/zinc/02/16/59/436021659.db2.gz IZTOROFOUYJVRA-AWEZNQCLSA-N 1 1 343.431 0.968 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC1 ZINC000071881821 436024019 /nfs/dbraw/zinc/02/40/19/436024019.db2.gz VYQFFKBANWQUTC-STQMWFEESA-N 1 1 347.415 0.935 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000071880987 436025194 /nfs/dbraw/zinc/02/51/94/436025194.db2.gz WWOVHRYWJCPDQJ-MRXNPFEDSA-N 1 1 346.431 0.745 50 0 ECAAMO O=C(c1coc2c1C(=O)CCC2)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072147967 436032874 /nfs/dbraw/zinc/03/28/74/436032874.db2.gz SIEDJZAQVIZFCK-CYBMUJFWSA-N 1 1 345.399 0.835 50 0 ECAAMO NC(=O)CN1CCC[C@]2(CO)C[N@H+](C3Cc4ccccc4C3)CC[C@@H]12 ZINC000072147304 436034093 /nfs/dbraw/zinc/03/40/93/436034093.db2.gz SKRLQDIWYONULQ-UYAOXDASSA-N 1 1 343.471 0.788 50 0 ECAAMO C[C@]1([C@@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)NC(=O)NC1=O ZINC000072300755 436043332 /nfs/dbraw/zinc/04/33/32/436043332.db2.gz XZAMPZOTPNOSNE-CXAGYDPISA-N 1 1 336.436 0.699 50 0 ECAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CN1C(=O)CNC1=O ZINC000072411778 436046242 /nfs/dbraw/zinc/04/62/42/436046242.db2.gz MXLNFAHHLRUFME-AWEZNQCLSA-N 1 1 330.388 0.053 50 0 ECAAMO COc1ccc(NC(=O)C[C@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1 ZINC000013690057 436065800 /nfs/dbraw/zinc/06/58/00/436065800.db2.gz SHEHCLDVHGKMDR-CQSZACIVSA-N 1 1 345.403 0.126 50 0 ECAAMO Cc1ccc2[nH]c3c(cnn(CC(=O)N4CC[NH+](C)CC4)c3=O)c2c1 ZINC000015942886 436086814 /nfs/dbraw/zinc/08/68/14/436086814.db2.gz IZRBFGCJXLNIBQ-UHFFFAOYSA-N 1 1 339.399 0.960 50 0 ECAAMO C[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000015936090 436087584 /nfs/dbraw/zinc/08/75/84/436087584.db2.gz MPPXADZECOINGY-CQSZACIVSA-N 1 1 347.415 0.639 50 0 ECAAMO Cc1cc(NC(=O)[C@@H](C)N2CCC[N@H+](CC(=O)N(C)C)CC2)no1 ZINC000024677961 436136151 /nfs/dbraw/zinc/13/61/51/436136151.db2.gz XDESSLVDPGTGPZ-CYBMUJFWSA-N 1 1 337.424 0.406 50 0 ECAAMO Cc1cc(NC(=O)[C@@H](C)N2CCC[N@@H+](CC(=O)N(C)C)CC2)no1 ZINC000024677961 436136162 /nfs/dbraw/zinc/13/61/62/436136162.db2.gz XDESSLVDPGTGPZ-CYBMUJFWSA-N 1 1 337.424 0.406 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000025229549 436149056 /nfs/dbraw/zinc/14/90/56/436149056.db2.gz PLOLVHXOSQDTCR-UHFFFAOYSA-N 1 1 347.341 0.229 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000020648318 436110898 /nfs/dbraw/zinc/11/08/98/436110898.db2.gz GLCGCCQQKIASIK-HNNXBMFYSA-N 1 1 333.436 0.532 50 0 ECAAMO O=C(CCCn1c(=O)oc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000075572142 436167560 /nfs/dbraw/zinc/16/75/60/436167560.db2.gz COMVBQFVMQAYRX-UHFFFAOYSA-N 1 1 333.388 0.511 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)NCc1ccccn1 ZINC000077375583 436234549 /nfs/dbraw/zinc/23/45/49/436234549.db2.gz LVGREILTLRLDLG-KRWDZBQOSA-N 1 1 332.448 0.885 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)NCc1ccccn1 ZINC000077375583 436234551 /nfs/dbraw/zinc/23/45/51/436234551.db2.gz LVGREILTLRLDLG-KRWDZBQOSA-N 1 1 332.448 0.885 50 0 ECAAMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2COCCO2)c(=O)[nH]1 ZINC000077458695 436238466 /nfs/dbraw/zinc/23/84/66/436238466.db2.gz ATGPFVAPPLJTCT-AWEZNQCLSA-N 1 1 337.420 0.752 50 0 ECAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NCC1CC1 ZINC000029520836 436203789 /nfs/dbraw/zinc/20/37/89/436203789.db2.gz OOZIWQNJXIOFMW-UHFFFAOYSA-N 1 1 346.431 0.962 50 0 ECAAMO Fc1ccc(N2CC[NH+](CCNc3ccc4nnnn4n3)CC2)cc1 ZINC000029618991 436204549 /nfs/dbraw/zinc/20/45/49/436204549.db2.gz YZOMNFNRLPZYHT-UHFFFAOYSA-N 1 1 342.382 0.893 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC)cn1C ZINC000044895529 436350102 /nfs/dbraw/zinc/35/01/02/436350102.db2.gz GICNSVZTLLVXHK-NSHDSACASA-N 1 1 328.438 0.147 50 0 ECAAMO Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+](C)C)c1 ZINC000045966598 436380904 /nfs/dbraw/zinc/38/09/04/436380904.db2.gz RRRSDXZEZITPNX-UHFFFAOYSA-N 1 1 346.475 0.821 50 0 ECAAMO O=C(Cn1cnc2ccccc21)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436564 436388019 /nfs/dbraw/zinc/38/80/19/436388019.db2.gz HHBOQGMETLDDQP-QGZVFWFLSA-N 1 1 328.416 0.951 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000046367709 436393988 /nfs/dbraw/zinc/39/39/88/436393988.db2.gz DLDMFUSBVOURSC-KGLIPLIRSA-N 1 1 346.497 0.394 50 0 ECAAMO COc1ccc2c(ccn2CC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000046574766 436398178 /nfs/dbraw/zinc/39/81/78/436398178.db2.gz LPLXJUPLKSJPRO-UHFFFAOYSA-N 1 1 344.415 0.716 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)o1 ZINC000046672792 436398412 /nfs/dbraw/zinc/39/84/12/436398412.db2.gz CVLUNTVVPAJRDB-SNVBAGLBSA-N 1 1 341.389 0.813 50 0 ECAAMO NC(=O)C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C1CCCC1 ZINC000044944019 436355454 /nfs/dbraw/zinc/35/54/54/436355454.db2.gz OEGKGBMGCJJRHG-UHFFFAOYSA-N 1 1 341.433 0.443 50 0 ECAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000044950543 436356917 /nfs/dbraw/zinc/35/69/17/436356917.db2.gz FBINOWMBCQPLMD-OAHLLOKOSA-N 1 1 343.431 0.734 50 0 ECAAMO COCCN1CCC[C@@]2(CC[N@H+](Cc3nc(COC)no3)C2)C1=O ZINC000091691628 436457304 /nfs/dbraw/zinc/45/73/04/436457304.db2.gz MCXHJELJHDVJIK-INIZCTEOSA-N 1 1 338.408 0.677 50 0 ECAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3nc(COC)no3)C2)C1=O ZINC000091691628 436457309 /nfs/dbraw/zinc/45/73/09/436457309.db2.gz MCXHJELJHDVJIK-INIZCTEOSA-N 1 1 338.408 0.677 50 0 ECAAMO Cn1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000092076084 436467758 /nfs/dbraw/zinc/46/77/58/436467758.db2.gz GBWYKRHELBSHSP-HNNXBMFYSA-N 1 1 342.399 0.147 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)CC1 ZINC000047339636 436418002 /nfs/dbraw/zinc/41/80/02/436418002.db2.gz UHXMBJFJXGATKP-UHFFFAOYSA-N 1 1 339.461 0.989 50 0 ECAAMO COc1ccc(F)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)c1F ZINC000096139579 436515479 /nfs/dbraw/zinc/51/54/79/436515479.db2.gz DHUUWXDEJKNMHY-QLJPJBMISA-N 1 1 325.359 0.741 50 0 ECAAMO Cc1nc(C[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)cc(=O)[nH]1 ZINC000096139962 436515940 /nfs/dbraw/zinc/51/59/40/436515940.db2.gz KUXLRJYHODWELA-UHFFFAOYSA-N 1 1 340.391 0.503 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000096181782 436519852 /nfs/dbraw/zinc/51/98/52/436519852.db2.gz MCHGSNCGXAACKX-SJORKVTESA-N 1 1 349.406 0.888 50 0 ECAAMO C[N@H+]1CCC[C@H](C(=O)N2CCC(c3nccn3CC(N)=O)CC2)C1 ZINC000095525822 436499075 /nfs/dbraw/zinc/49/90/75/436499075.db2.gz SODZYXWYVGMHSQ-AWEZNQCLSA-N 1 1 333.436 0.416 50 0 ECAAMO CC(C)[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2Cc2cnc[nH]2)CC1 ZINC000095525911 436500173 /nfs/dbraw/zinc/50/01/73/436500173.db2.gz UFLIFRHOCHIVLX-INIZCTEOSA-N 1 1 347.463 0.790 50 0 ECAAMO COCc1cc(C[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)[nH]n1 ZINC000095528217 436500651 /nfs/dbraw/zinc/50/06/51/436500651.db2.gz TUSTXTZRFUNHFV-UHFFFAOYSA-N 1 1 342.407 0.981 50 0 ECAAMO Cn1nc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000096870917 436534865 /nfs/dbraw/zinc/53/48/65/436534865.db2.gz RCTAZPYEODIVIS-TWGQIWQCSA-N 1 1 341.415 0.314 50 0 ECAAMO Cn1cc(N2CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)cn1 ZINC000097031953 436536164 /nfs/dbraw/zinc/53/61/64/436536164.db2.gz QVGWBVBDNNPSQW-UONOGXRCSA-N 1 1 337.493 0.942 50 0 ECAAMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000058264743 436622783 /nfs/dbraw/zinc/62/27/83/436622783.db2.gz VOIPKVDQUMTGNP-CYBMUJFWSA-N 1 1 344.415 0.538 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)[C@H]1Cc2ccccc2O1 ZINC000106510307 436595790 /nfs/dbraw/zinc/59/57/90/436595790.db2.gz GSRFFQGDQHXCSN-LZLYRXPVSA-N 1 1 346.427 0.844 50 0 ECAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](OCC(N)=O)C1 ZINC000106924551 436606439 /nfs/dbraw/zinc/60/64/39/436606439.db2.gz ZQBIYPJZOUVKNF-DGCLKSJQSA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](OCC(N)=O)C1 ZINC000106924551 436606443 /nfs/dbraw/zinc/60/64/43/436606443.db2.gz ZQBIYPJZOUVKNF-DGCLKSJQSA-N 1 1 337.445 0.598 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccccc3)C[C@@H]2C)CC1 ZINC000107142599 436608494 /nfs/dbraw/zinc/60/84/94/436608494.db2.gz VMOAYEMXAJVRJE-QGTPRVQTSA-N 1 1 344.459 0.697 50 0 ECAAMO CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000107323482 436611410 /nfs/dbraw/zinc/61/14/10/436611410.db2.gz WFWZUBCOIMQDEI-ILXRZTDVSA-N 1 1 340.468 0.783 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccccc1 ZINC000057554064 436613598 /nfs/dbraw/zinc/61/35/98/436613598.db2.gz KTQYGESRZPZSPR-CYBMUJFWSA-N 1 1 337.445 0.660 50 0 ECAAMO C[NH+](C)CC(=O)Nc1cccc(CNC(=O)c2ccc[nH]c2=O)c1 ZINC000058166454 436621011 /nfs/dbraw/zinc/62/10/11/436621011.db2.gz DOIVLHMJZKCFGH-UHFFFAOYSA-N 1 1 328.372 0.805 50 0 ECAAMO CCOC(=O)C1=C(C[N@H+](CCO)C2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000063957657 436647429 /nfs/dbraw/zinc/64/74/29/436647429.db2.gz UEDGDXSPWSVQEF-OAHLLOKOSA-N 1 1 349.387 0.907 50 0 ECAAMO CCOC(=O)C1=C(C[N@@H+](CCO)C2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000063957657 436647430 /nfs/dbraw/zinc/64/74/30/436647430.db2.gz UEDGDXSPWSVQEF-OAHLLOKOSA-N 1 1 349.387 0.907 50 0 ECAAMO COc1ccnc(N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)n1 ZINC000065407856 436659495 /nfs/dbraw/zinc/65/94/95/436659495.db2.gz MYPMNMOSJQWTKW-UHFFFAOYSA-N 1 1 335.452 0.718 50 0 ECAAMO C[C@@H]1CCCN(C(=O)CCN2CC[NH+](CCOCCO)CC2)C1 ZINC000065404059 436658605 /nfs/dbraw/zinc/65/86/05/436658605.db2.gz FALDZTHAMUCKDW-MRXNPFEDSA-N 1 1 327.469 0.262 50 0 ECAAMO Cc1cccc(CCNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000221155040 436700955 /nfs/dbraw/zinc/70/09/55/436700955.db2.gz MKMSRFVYXDBCBY-OAHLLOKOSA-N 1 1 339.461 0.558 50 0 ECAAMO Cc1cccc(CCNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000221155040 436700957 /nfs/dbraw/zinc/70/09/57/436700957.db2.gz MKMSRFVYXDBCBY-OAHLLOKOSA-N 1 1 339.461 0.558 50 0 ECAAMO NC(=O)CN1CC[N@@H+](Cc2ccc(-c3ccco3)cc2)C[C@H](O)C1 ZINC000225336168 436710764 /nfs/dbraw/zinc/71/07/64/436710764.db2.gz OGBVGUUCGNBOEW-INIZCTEOSA-N 1 1 329.400 0.910 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](CCCC(=O)NC(N)=O)C[C@H]2O ZINC000139139302 436663796 /nfs/dbraw/zinc/66/37/96/436663796.db2.gz MIBMRVALZXCOBK-LLVKDONJSA-N 1 1 337.376 0.528 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]2O ZINC000139139302 436663801 /nfs/dbraw/zinc/66/38/01/436663801.db2.gz MIBMRVALZXCOBK-LLVKDONJSA-N 1 1 337.376 0.528 50 0 ECAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)C1 ZINC000065507112 436664944 /nfs/dbraw/zinc/66/49/44/436664944.db2.gz NFOBVWZMTWOYJV-GFCCVEGCSA-N 1 1 331.420 0.459 50 0 ECAAMO O=C1NCC2(CCN(c3nc(N4CCC[C@@H](O)C4)cc[nH+]3)CC2)O1 ZINC000065528388 436666890 /nfs/dbraw/zinc/66/68/90/436666890.db2.gz KEEHLMLAPXLBRN-GFCCVEGCSA-N 1 1 333.392 0.517 50 0 ECAAMO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000237081293 436722359 /nfs/dbraw/zinc/72/23/59/436722359.db2.gz DYTKHHJGEKRLKA-LLVKDONJSA-N 1 1 332.447 0.463 50 0 ECAAMO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1COCC[NH2+]1 ZINC000238116084 436754096 /nfs/dbraw/zinc/75/40/96/436754096.db2.gz ACMYVRSMVMRVIK-KOLCDFICSA-N 1 1 349.214 0.838 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000242167718 436759565 /nfs/dbraw/zinc/75/95/65/436759565.db2.gz WYXNDKNAVAAGQT-RDBSUJKOSA-N 1 1 331.482 0.457 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229560798 436716623 /nfs/dbraw/zinc/71/66/23/436716623.db2.gz IPYYXXKTDCSNBX-GVDBMIGSSA-N 1 1 325.453 0.155 50 0 ECAAMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000069463930 436774033 /nfs/dbraw/zinc/77/40/33/436774033.db2.gz FMPQUWVSNKPSTC-LBPRGKRZSA-N 1 1 331.413 0.710 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCc3cncnc3C2)C1 ZINC000069560873 436780539 /nfs/dbraw/zinc/78/05/39/436780539.db2.gz VWMIAOWVTSPZHZ-INIZCTEOSA-N 1 1 347.463 0.308 50 0 ECAAMO COc1ccc([C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252553308 436837602 /nfs/dbraw/zinc/83/76/02/436837602.db2.gz VJOJYKNLQQEIHS-RVKKMQEKSA-N 1 1 349.431 0.741 50 0 ECAAMO Cn1cc(N2CCC[C@H](NC(=O)C[N@@H+](C)[C@H]3CCSC3)C2)cn1 ZINC000253370429 436839217 /nfs/dbraw/zinc/83/92/17/436839217.db2.gz QVGWBVBDNNPSQW-KBPBESRZSA-N 1 1 337.493 0.942 50 0 ECAAMO O=C(Cc1cc[nH]n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000253416689 436843592 /nfs/dbraw/zinc/84/35/92/436843592.db2.gz XRLNGKFTMREQCN-RDJZCZTQSA-N 1 1 328.416 0.951 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2cnccn2)CC1 ZINC000253427998 436845006 /nfs/dbraw/zinc/84/50/06/436845006.db2.gz FXTHUMKBSQXYSW-HNNXBMFYSA-N 1 1 331.420 0.174 50 0 ECAAMO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000253431474 436845064 /nfs/dbraw/zinc/84/50/64/436845064.db2.gz HFTQUNGJZSFLLU-OKILXGFUSA-N 1 1 346.493 0.769 50 0 ECAAMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000253431474 436845069 /nfs/dbraw/zinc/84/50/69/436845069.db2.gz HFTQUNGJZSFLLU-OKILXGFUSA-N 1 1 346.493 0.769 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000253431405 436845449 /nfs/dbraw/zinc/84/54/49/436845449.db2.gz PYVOJTZPHURCSO-ZBFHGGJFSA-N 1 1 346.431 0.267 50 0 ECAAMO O=C(Cc1ccc(F)cc1)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257186560 436857948 /nfs/dbraw/zinc/85/79/48/436857948.db2.gz KOEGWDSATLNJBG-WMLDXEAASA-N 1 1 336.407 0.956 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252477159 436830763 /nfs/dbraw/zinc/83/07/63/436830763.db2.gz JFLQFUZRBMWQDW-XUWVNRHRSA-N 1 1 347.525 0.986 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252477159 436830768 /nfs/dbraw/zinc/83/07/68/436830768.db2.gz JFLQFUZRBMWQDW-XUWVNRHRSA-N 1 1 347.525 0.986 50 0 ECAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478036 436832149 /nfs/dbraw/zinc/83/21/49/436832149.db2.gz AAMQMPBGTNGADJ-NVXWUHKLSA-N 1 1 325.453 0.420 50 0 ECAAMO CCN(C)S(=O)(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000173507880 437053919 /nfs/dbraw/zinc/05/39/19/437053919.db2.gz FYUISMSLNKKECQ-UHFFFAOYSA-N 1 1 329.470 0.607 50 0 ECAAMO CCN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000173507880 437053922 /nfs/dbraw/zinc/05/39/22/437053922.db2.gz FYUISMSLNKKECQ-UHFFFAOYSA-N 1 1 329.470 0.607 50 0 ECAAMO Cc1nonc1CN1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299770047 437110447 /nfs/dbraw/zinc/11/04/47/437110447.db2.gz QCQURSJSXSEWOF-LBPRGKRZSA-N 1 1 345.407 0.576 50 0 ECAAMO COc1nccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000276567991 437129673 /nfs/dbraw/zinc/12/96/73/437129673.db2.gz QZPHJPYKSPNWEP-UHFFFAOYSA-N 1 1 345.407 0.959 50 0 ECAAMO COc1nccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000276567991 437129675 /nfs/dbraw/zinc/12/96/75/437129675.db2.gz QZPHJPYKSPNWEP-UHFFFAOYSA-N 1 1 345.407 0.959 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cncn3C)CC2)C1 ZINC000329507478 437376848 /nfs/dbraw/zinc/37/68/48/437376848.db2.gz AADFARPVECKXCJ-OAHLLOKOSA-N 1 1 335.452 0.287 50 0 ECAAMO O=C(Cc1c[nH]c2ncccc12)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186612862 437476748 /nfs/dbraw/zinc/47/67/48/437476748.db2.gz VTEJKQMSKYCIRP-CQSZACIVSA-N 1 1 341.415 0.528 50 0 ECAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426604696 438067991 /nfs/dbraw/zinc/06/79/91/438067991.db2.gz ZLSYVNNWXXODGM-GFCCVEGCSA-N 1 1 328.438 0.637 50 0 ECAAMO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378415198 438385298 /nfs/dbraw/zinc/38/52/98/438385298.db2.gz FQSTZUQAYJOXQD-MAUKXSAKSA-N 1 1 342.443 0.577 50 0 ECAAMO COc1ccccc1-n1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cn1 ZINC000187155960 533930714 /nfs/dbraw/zinc/93/07/14/533930714.db2.gz JOMUBAZAXLKLMY-GFCCVEGCSA-N 1 1 336.417 0.863 50 0 ECAAMO CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000035828118 536427706 /nfs/dbraw/zinc/42/77/06/536427706.db2.gz WJMNLNOOSIATJT-SUMWQHHRSA-N 1 1 328.372 0.898 50 0 ECAAMO C[N@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(-n3cnnn3)ccc1O)C2 ZINC000215963322 536488558 /nfs/dbraw/zinc/48/85/58/536488558.db2.gz CTYVWAZXIBMYRT-AAEUAGOBSA-N 1 1 328.376 0.534 50 0 ECAAMO Cc1nc2ccnn2c(C)c1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000084019384 545707600 /nfs/dbraw/zinc/70/76/00/545707600.db2.gz NSNVIIIKWGVDJP-UHFFFAOYSA-N 1 1 331.420 0.415 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000084281120 545710466 /nfs/dbraw/zinc/71/04/66/545710466.db2.gz SBTXMBHMTMEASR-CQSZACIVSA-N 1 1 335.408 0.422 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000084281120 545710471 /nfs/dbraw/zinc/71/04/71/545710471.db2.gz SBTXMBHMTMEASR-CQSZACIVSA-N 1 1 335.408 0.422 50 0 ECAAMO CC[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735916 545713348 /nfs/dbraw/zinc/71/33/48/545713348.db2.gz YWFVYLIBOSNBBA-GJZGRUSLSA-N 1 1 334.420 0.121 50 0 ECAAMO CC[C@@H]1CN(C(=O)C2=NN(CC)C(=O)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000084735689 545713612 /nfs/dbraw/zinc/71/36/12/545713612.db2.gz TTWIZJDLVSYKRA-UKRRQHHQSA-N 1 1 336.436 0.554 50 0 ECAAMO C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)CC1 ZINC000215141003 545919359 /nfs/dbraw/zinc/91/93/59/545919359.db2.gz IBAGVFBWBTUAGS-INIZCTEOSA-N 1 1 333.432 0.972 50 0 ECAAMO C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)CC1 ZINC000215141003 545919361 /nfs/dbraw/zinc/91/93/61/545919361.db2.gz IBAGVFBWBTUAGS-INIZCTEOSA-N 1 1 333.432 0.972 50 0 ECAAMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2nccn(C)c2=O)C1 ZINC000626479885 547362451 /nfs/dbraw/zinc/36/24/51/547362451.db2.gz YKZJOBLSTMQNDR-RWMBFGLXSA-N 1 1 335.408 0.544 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000670451821 548014792 /nfs/dbraw/zinc/01/47/92/548014792.db2.gz FUXZMJWYWNYFSD-CYBMUJFWSA-N 1 1 330.454 0.589 50 0 ECAAMO Cc1nnc([C@H]2CC[N@H+](CCC(C)C)C[C@H]2NC(=O)CN(C)C)[nH]1 ZINC000169786494 609746219 /nfs/dbraw/zinc/74/62/19/609746219.db2.gz NAJQSCGANWNREF-LSDHHAIUSA-N 1 1 336.484 0.995 50 0 ECAAMO CN1CC[N@@H+](C)[C@@H](CC(=O)NCCc2nc(-c3cccnc3)no2)C1 ZINC000299800234 751002556 /nfs/dbraw/zinc/00/25/56/751002556.db2.gz XHPYGOUGSZSQSJ-AWEZNQCLSA-N 1 1 344.419 0.426 50 0 ECAAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)NCCc1nc(-c2cccnc2)no1 ZINC000299800234 751002559 /nfs/dbraw/zinc/00/25/59/751002559.db2.gz XHPYGOUGSZSQSJ-AWEZNQCLSA-N 1 1 344.419 0.426 50 0 ECAAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)NCCc1nc(-c2cccnc2)no1 ZINC000299800234 751002568 /nfs/dbraw/zinc/00/25/68/751002568.db2.gz XHPYGOUGSZSQSJ-AWEZNQCLSA-N 1 1 344.419 0.426 50 0 ECAAMO Cc1cc(CNC(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)no1 ZINC000426381812 752853788 /nfs/dbraw/zinc/85/37/88/752853788.db2.gz VDGANZZXRJSWNR-UHFFFAOYSA-N 1 1 335.408 0.479 50 0 ECAAMO NC(=O)C[NH+]1CCC(Nc2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000051618844 214097985 /nfs/dbraw/zinc/09/79/85/214097985.db2.gz FVYMVIKBDVJOPJ-UHFFFAOYSA-N 1 1 343.313 0.505 50 0 ECAAMO CC(=O)N1CC[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C[C@H](O)C1 ZINC000097775923 219057226 /nfs/dbraw/zinc/05/72/26/219057226.db2.gz NEPXGUDMSCPKMX-HNNXBMFYSA-N 1 1 329.400 0.862 50 0 ECAAMO CC(=O)N1CC[N@@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C[C@H](O)C1 ZINC000097775923 219057227 /nfs/dbraw/zinc/05/72/27/219057227.db2.gz NEPXGUDMSCPKMX-HNNXBMFYSA-N 1 1 329.400 0.862 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058282755 214528074 /nfs/dbraw/zinc/52/80/74/214528074.db2.gz OONWOEQSZRWFSJ-UHFFFAOYSA-N 1 1 336.392 0.454 50 0 ECAAMO COCCn1nc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1=O ZINC000049622809 214022355 /nfs/dbraw/zinc/02/23/55/214022355.db2.gz SSKOSUQMJJQPTJ-ZDUSSCGKSA-N 1 1 334.376 0.515 50 0 ECAAMO Cc1nnnn1CCC(=O)N(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000077357067 282370356 /nfs/dbraw/zinc/37/03/56/282370356.db2.gz BMDPWGQKLULFQO-MRXNPFEDSA-N 1 1 328.420 0.887 50 0 ECAAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H]2[C@H](C(=O)NCCO)[C@H]2C1 ZINC000102773851 219230537 /nfs/dbraw/zinc/23/05/37/219230537.db2.gz UWFTVUQAPWNVNG-PIIMJCKOSA-N 1 1 340.427 0.967 50 0 ECAAMO O=C(NCc1cc2ccc(F)cc2[nH]c1=O)c1cc2n(n1)CC[NH2+]C2 ZINC000067740655 215199383 /nfs/dbraw/zinc/19/93/83/215199383.db2.gz AYGWTBKPGXFRHR-UHFFFAOYSA-N 1 1 341.346 0.897 50 0 ECAAMO O[C@H](CNc1ccc2nnnn2n1)C[N@H+]1CCc2ccccc2C1 ZINC000040511147 213327740 /nfs/dbraw/zinc/32/77/40/213327740.db2.gz BWZGTFVJQOHGGN-CQSZACIVSA-N 1 1 325.376 0.350 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(C)C1=O ZINC000040266753 213286414 /nfs/dbraw/zinc/28/64/14/213286414.db2.gz OPFRXUVXVHSFFW-IUODEOHRSA-N 1 1 344.415 0.421 50 0 ECAAMO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000069655077 215517819 /nfs/dbraw/zinc/51/78/19/215517819.db2.gz VHVBVKTVFOLRGL-HIFRSBDPSA-N 1 1 346.435 0.883 50 0 ECAAMO OC[C@@H](O)CN1CCn2nc(C[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)cc2C1 ZINC000072129096 216018991 /nfs/dbraw/zinc/01/89/91/216018991.db2.gz WNWPVFUJEITDDF-DAYGRLMNSA-N 1 1 332.448 0.450 50 0 ECAAMO Cc1nc(N(C)C)ncc1C(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072144721 216030284 /nfs/dbraw/zinc/03/02/84/216030284.db2.gz LTRKAVJSJUVPDQ-HNNXBMFYSA-N 1 1 347.463 0.912 50 0 ECAAMO O=C(c1ccc[nH]c1=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000072279603 216105994 /nfs/dbraw/zinc/10/59/94/216105994.db2.gz KXLBJYKDEQFRJW-MRXNPFEDSA-N 1 1 327.384 0.866 50 0 ECAAMO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000072292389 216127510 /nfs/dbraw/zinc/12/75/10/216127510.db2.gz YQTLXZQUINYGGU-CQSZACIVSA-N 1 1 346.435 0.202 50 0 ECAAMO CC[C@@H]1C[N@@H+](CCn2cncn2)[C@H](CC)CN1CCn1cncn1 ZINC000072293955 216130358 /nfs/dbraw/zinc/13/03/58/216130358.db2.gz RWJWGEUABIIMHE-HZPDHXFCSA-N 1 1 332.456 0.745 50 0 ECAAMO Nc1cc(N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)nc(N)n1 ZINC000072407560 216198586 /nfs/dbraw/zinc/19/85/86/216198586.db2.gz TXYIFEIDEKYNPQ-AWEZNQCLSA-N 1 1 346.410 0.853 50 0 ECAAMO Nc1cc(N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)nc(N)n1 ZINC000072407560 216198588 /nfs/dbraw/zinc/19/85/88/216198588.db2.gz TXYIFEIDEKYNPQ-AWEZNQCLSA-N 1 1 346.410 0.853 50 0 ECAAMO O=C(NCCc1nc(-c2cccnc2)no1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072424909 216215410 /nfs/dbraw/zinc/21/54/10/216215410.db2.gz PMQOKRPRTOWOKM-CQSZACIVSA-N 1 1 339.359 0.400 50 0 ECAAMO C[NH+]1CCN(CCCNc2nn3nnnc3c3ccccc32)CC1 ZINC000021777498 212248209 /nfs/dbraw/zinc/24/82/09/212248209.db2.gz ZNIIVVWLLBNZLI-UHFFFAOYSA-N 1 1 326.408 0.722 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229385937 242164380 /nfs/dbraw/zinc/16/43/80/242164380.db2.gz KMCLTSUOBJRTCF-CABCVRRESA-N 1 1 327.388 0.535 50 0 ECAAMO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554814 242179678 /nfs/dbraw/zinc/17/96/78/242179678.db2.gz MCOVWXRRTRCBQI-IAGOWNOFSA-N 1 1 332.404 0.557 50 0 ECAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229554814 242179683 /nfs/dbraw/zinc/17/96/83/242179683.db2.gz MCOVWXRRTRCBQI-IAGOWNOFSA-N 1 1 332.404 0.557 50 0 ECAAMO CCN(C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000229699086 242192313 /nfs/dbraw/zinc/19/23/13/242192313.db2.gz VVQVGXDSOBGTHR-UKRRQHHQSA-N 1 1 344.477 0.523 50 0 ECAAMO CCN(C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000229699086 242192316 /nfs/dbraw/zinc/19/23/16/242192316.db2.gz VVQVGXDSOBGTHR-UKRRQHHQSA-N 1 1 344.477 0.523 50 0 ECAAMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000229737780 242193393 /nfs/dbraw/zinc/19/33/93/242193393.db2.gz FPTDPPUHQUHCDV-KGLIPLIRSA-N 1 1 333.498 0.941 50 0 ECAAMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000229737780 242193395 /nfs/dbraw/zinc/19/33/95/242193395.db2.gz FPTDPPUHQUHCDV-KGLIPLIRSA-N 1 1 333.498 0.941 50 0 ECAAMO CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000230161823 242242413 /nfs/dbraw/zinc/24/24/13/242242413.db2.gz GMWNRNKPWFDLLS-UONOGXRCSA-N 1 1 333.436 0.864 50 0 ECAAMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)C1=COCCO1 ZINC000241911278 243006248 /nfs/dbraw/zinc/00/62/48/243006248.db2.gz UBESSXDRFQEFEX-CVEARBPZSA-N 1 1 332.400 0.874 50 0 ECAAMO Cc1ccccc1OC[C@H](O)C(=O)NCC1(C[NH+]2CCOCC2)CC1 ZINC000244605513 243044456 /nfs/dbraw/zinc/04/44/56/243044456.db2.gz DZWFAWNRXLDNFK-INIZCTEOSA-N 1 1 348.443 0.963 50 0 ECAAMO Cc1ccnn1CC[N@@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244646901 243050859 /nfs/dbraw/zinc/05/08/59/243050859.db2.gz GRDHKSKSAKYVRS-UHFFFAOYSA-N 1 1 341.481 0.540 50 0 ECAAMO Cc1ccnn1CC[N@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244646901 243050866 /nfs/dbraw/zinc/05/08/66/243050866.db2.gz GRDHKSKSAKYVRS-UHFFFAOYSA-N 1 1 341.481 0.540 50 0 ECAAMO C[C@@H](CCNC(=O)c1cnn2cc(CCO)cnc12)[NH+]1CCOCC1 ZINC000244874637 243094435 /nfs/dbraw/zinc/09/44/35/243094435.db2.gz XETMDHPOOVPTNN-ZDUSSCGKSA-N 1 1 347.419 0.105 50 0 ECAAMO OCCN1Cn2c3ccccc3nc2N(CCC[NH+]2CCOCC2)C1 ZINC000020101391 212100430 /nfs/dbraw/zinc/10/04/30/212100430.db2.gz NAYSSPKVVBDJSL-UHFFFAOYSA-N 1 1 345.447 0.788 50 0 ECAAMO CCc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019938238 212087874 /nfs/dbraw/zinc/08/78/74/212087874.db2.gz YBFATFBVQUUXIG-OAHLLOKOSA-N 1 1 343.431 0.679 50 0 ECAAMO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C)CC2)n1 ZINC000019859330 212076663 /nfs/dbraw/zinc/07/66/63/212076663.db2.gz ANBYSLNOBRZDLR-UHFFFAOYSA-N 1 1 329.408 0.953 50 0 ECAAMO C[N@@H+]1CCO[C@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000080431454 217304297 /nfs/dbraw/zinc/30/42/97/217304297.db2.gz KDMODGIUVQGUCI-AWEZNQCLSA-N 1 1 327.388 0.618 50 0 ECAAMO C[N@H+]1CCO[C@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000080431454 217304298 /nfs/dbraw/zinc/30/42/98/217304298.db2.gz KDMODGIUVQGUCI-AWEZNQCLSA-N 1 1 327.388 0.618 50 0 ECAAMO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1cccs1 ZINC000012391980 211367498 /nfs/dbraw/zinc/36/74/98/211367498.db2.gz WAHRQWIOTVAUNZ-NWDGAFQWSA-N 1 1 337.401 0.787 50 0 ECAAMO COCC[C@]1(CO)CCCN(C(=O)CCN2CC[NH+](C)CC2)C1 ZINC000091391331 218001187 /nfs/dbraw/zinc/00/11/87/218001187.db2.gz BTVBDUKLTNMPLP-QGZVFWFLSA-N 1 1 327.469 0.262 50 0 ECAAMO COCC[C@@]1(CO)CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000091440500 218006103 /nfs/dbraw/zinc/00/61/03/218006103.db2.gz VFMPGSQCXUQQPN-KRWDZBQOSA-N 1 1 327.469 0.262 50 0 ECAAMO O=C(CCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091486970 218013177 /nfs/dbraw/zinc/01/31/77/218013177.db2.gz PGWWQDVUGFRDNC-GOEBONIOSA-N 1 1 333.436 0.770 50 0 ECAAMO CCn1nc(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c2ccccc21 ZINC000091547777 218020804 /nfs/dbraw/zinc/02/08/04/218020804.db2.gz DDCPBVLMQSTWGO-CYBMUJFWSA-N 1 1 343.431 0.870 50 0 ECAAMO CC(C)[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)CCc1nncn1C ZINC000091645884 218038594 /nfs/dbraw/zinc/03/85/94/218038594.db2.gz QZARESRRZGOQRF-CVEARBPZSA-N 1 1 349.479 0.999 50 0 ECAAMO CCCc1cncnc1N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091757628 218060688 /nfs/dbraw/zinc/06/06/88/218060688.db2.gz BPOYLBPEDLZDLH-IAGOWNOFSA-N 1 1 333.480 0.721 50 0 ECAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)Cc2ccc(CO)cc2)[C@@H](C(C)C)C1 ZINC000091931095 218090551 /nfs/dbraw/zinc/09/05/51/218090551.db2.gz JYUXGHGMUHDVSF-SJORKVTESA-N 1 1 347.459 0.540 50 0 ECAAMO C[NH+](C)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNCC1 ZINC000095202022 218282785 /nfs/dbraw/zinc/28/27/85/218282785.db2.gz CDZDEHVWAXDQAQ-ZDUSSCGKSA-N 1 1 328.457 0.653 50 0 ECAAMO O[C@@]1(CN2CCN(c3ncccn3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834074 285344803 /nfs/dbraw/zinc/34/48/03/285344803.db2.gz FFYKKZNUFKUMDK-SJLPKXTDSA-N 1 1 331.464 0.978 50 0 ECAAMO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)N2CCCC2)c1 ZINC000299746855 258008713 /nfs/dbraw/zinc/00/87/13/258008713.db2.gz BKJZKPUCFGDAPC-XIRDDKMYSA-N 1 1 333.432 0.671 50 0 ECAAMO CCn1nc(CO)c2c1CCN(c1cc([C@@H]3CCOC3)[nH+]c(N)n1)C2 ZINC000299784802 258092224 /nfs/dbraw/zinc/09/22/24/258092224.db2.gz QINPIAWJXIRTIL-LLVKDONJSA-N 1 1 344.419 0.834 50 0 ECAAMO CCn1nc(CO)c2c1CCN(c1cc([C@H]3CCOC3)[nH+]c(N)n1)C2 ZINC000299784815 258092589 /nfs/dbraw/zinc/09/25/89/258092589.db2.gz QINPIAWJXIRTIL-NSHDSACASA-N 1 1 344.419 0.834 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cnc2cccc(C)n2c1=O ZINC000299766303 258081411 /nfs/dbraw/zinc/08/14/11/258081411.db2.gz CBDUTGOELVXPRL-GJZGRUSLSA-N 1 1 344.415 0.840 50 0 ECAAMO COc1ccc(C[N@H+]2CCCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1 ZINC000158731374 533554561 /nfs/dbraw/zinc/55/45/61/533554561.db2.gz WQIYPGCOOIAFQT-UHFFFAOYSA-N 1 1 346.431 0.930 50 0 ECAAMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccn(C)c2=O)CCC[N@H+]1C ZINC000285385366 264307958 /nfs/dbraw/zinc/30/79/58/264307958.db2.gz WRTKTWMQOGGNAG-XJKSGUPXSA-N 1 1 343.431 0.932 50 0 ECAAMO C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000111503597 279331363 /nfs/dbraw/zinc/33/13/63/279331363.db2.gz KSGBRBUCTNMKRW-CQSZACIVSA-N 1 1 339.461 0.947 50 0 ECAAMO C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111503597 279331367 /nfs/dbraw/zinc/33/13/67/279331367.db2.gz KSGBRBUCTNMKRW-CQSZACIVSA-N 1 1 339.461 0.947 50 0 ECAAMO Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CSC[NH2+]1)C(F)(F)F ZINC000153172726 294425851 /nfs/dbraw/zinc/42/58/51/294425851.db2.gz YIMIFOIDONWGOJ-KCJUWKMLSA-N 1 1 338.355 0.339 50 0 ECAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)cc1F ZINC000361348405 300084434 /nfs/dbraw/zinc/08/44/34/300084434.db2.gz KKZQPRYOQRZXPG-UONOGXRCSA-N 1 1 348.378 0.957 50 0 ECAAMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000069775575 435965528 /nfs/dbraw/zinc/96/55/28/435965528.db2.gz MGBSTKGTVARWCD-AWEZNQCLSA-N 1 1 348.451 0.859 50 0 ECAAMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000069775575 435965532 /nfs/dbraw/zinc/96/55/32/435965532.db2.gz MGBSTKGTVARWCD-AWEZNQCLSA-N 1 1 348.451 0.859 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCOc1cccc(Cl)c1 ZINC000069772032 435965559 /nfs/dbraw/zinc/96/55/59/435965559.db2.gz WLRNCAUDSFOGCX-UHFFFAOYSA-N 1 1 341.839 0.445 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000069947346 435976783 /nfs/dbraw/zinc/97/67/83/435976783.db2.gz FUHDBFZAJYEHBR-INIZCTEOSA-N 1 1 331.460 0.833 50 0 ECAAMO COc1cccc([C@@H]2CCCN2C(=O)CN2CC[NH+](CCO)CC2)c1 ZINC000069928500 435977322 /nfs/dbraw/zinc/97/73/22/435977322.db2.gz BMVZSAWXJYBSMD-SFHVURJKSA-N 1 1 347.459 0.969 50 0 ECAAMO O=C(C[N@H+](CCCO)C1CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000069951841 435979182 /nfs/dbraw/zinc/97/91/82/435979182.db2.gz OQJGPLRHPLGAPK-UHFFFAOYSA-N 1 1 335.360 0.910 50 0 ECAAMO C[C@@H]1CN(CCN2C(=O)CNC2=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000070006518 435981978 /nfs/dbraw/zinc/98/19/78/435981978.db2.gz QGMFUSLKXVTTLO-ZBFHGGJFSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000070040865 435985861 /nfs/dbraw/zinc/98/58/61/435985861.db2.gz IMDGIOZAICHUMD-KGLIPLIRSA-N 1 1 335.404 0.153 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000070077044 435986310 /nfs/dbraw/zinc/98/63/10/435986310.db2.gz LOBLBERTIQEASL-PHIMTYICSA-N 1 1 332.447 0.461 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000005748841 435991018 /nfs/dbraw/zinc/99/10/18/435991018.db2.gz MPMUBIQJEKIMQL-ZDUSSCGKSA-N 1 1 342.399 0.338 50 0 ECAAMO Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000069600495 435949790 /nfs/dbraw/zinc/94/97/90/435949790.db2.gz LQDCQIBMIMXUGD-RDJZCZTQSA-N 1 1 344.459 0.710 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000000154795 435950054 /nfs/dbraw/zinc/95/00/54/435950054.db2.gz INGALQSOOBOGTJ-UHFFFAOYSA-N 1 1 346.431 0.659 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000069594802 435951887 /nfs/dbraw/zinc/95/18/87/435951887.db2.gz MOCFVJGQRZVBSV-MRXNPFEDSA-N 1 1 344.525 0.819 50 0 ECAAMO O=C(Cn1nnn(-c2cccs2)c1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839843 436017409 /nfs/dbraw/zinc/01/74/09/436017409.db2.gz QKMTYGKCSDUVBJ-LBPRGKRZSA-N 1 1 348.432 0.187 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875243 436020506 /nfs/dbraw/zinc/02/05/06/436020506.db2.gz XRRHKODIUDSXCZ-OWCLPIDISA-N 1 1 347.463 0.850 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000071880991 436024171 /nfs/dbraw/zinc/02/41/71/436024171.db2.gz ARJFPBYJPRVLMQ-OAHLLOKOSA-N 1 1 337.420 0.023 50 0 ECAAMO CCc1nc(C[NH+]2CCC(CNC(=O)Cn3cnnn3)CC2)cs1 ZINC000071896719 436028340 /nfs/dbraw/zinc/02/83/40/436028340.db2.gz ZXFUJYCPVAGSRW-UHFFFAOYSA-N 1 1 349.464 0.720 50 0 ECAAMO CN(C)c1ccccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000071922284 436030796 /nfs/dbraw/zinc/03/07/96/436030796.db2.gz LXARBOYFQIVWRO-HNNXBMFYSA-N 1 1 349.479 0.825 50 0 ECAAMO C[NH+]1CCN(c2ncc3c(ccn(Cc4ccccn4)c3=O)n2)CC1 ZINC000009265840 436035701 /nfs/dbraw/zinc/03/57/01/436035701.db2.gz QHBKOZQMWZVJAZ-UHFFFAOYSA-N 1 1 336.399 0.987 50 0 ECAAMO CCc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000072300013 436041546 /nfs/dbraw/zinc/04/15/46/436041546.db2.gz UZPFQHVCWPCLMD-KGLIPLIRSA-N 1 1 334.424 0.396 50 0 ECAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](OCC(N)=O)C1 ZINC000072313478 436042335 /nfs/dbraw/zinc/04/23/35/436042335.db2.gz ZQBIYPJZOUVKNF-AAEUAGOBSA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H](OCC(N)=O)C1 ZINC000072313478 436042340 /nfs/dbraw/zinc/04/23/40/436042340.db2.gz ZQBIYPJZOUVKNF-AAEUAGOBSA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@]1([C@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)NC(=O)NC1=O ZINC000072300757 436043287 /nfs/dbraw/zinc/04/32/87/436043287.db2.gz XZAMPZOTPNOSNE-SUMWQHHRSA-N 1 1 336.436 0.699 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000013694364 436064973 /nfs/dbraw/zinc/06/49/73/436064973.db2.gz KBEIGXWMZDRBLY-UHFFFAOYSA-N 1 1 327.432 0.901 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000014094735 436068477 /nfs/dbraw/zinc/06/84/77/436068477.db2.gz RZODECSUHOPUQQ-UHFFFAOYSA-N 1 1 325.796 0.785 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccs1 ZINC000016586791 436094437 /nfs/dbraw/zinc/09/44/37/436094437.db2.gz HWKIUFAHQGEEFE-VIFPVBQESA-N 1 1 336.417 0.431 50 0 ECAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccs1 ZINC000016586791 436094443 /nfs/dbraw/zinc/09/44/43/436094443.db2.gz HWKIUFAHQGEEFE-VIFPVBQESA-N 1 1 336.417 0.431 50 0 ECAAMO CC(=O)c1cnn(-c2cc(N3CC[NH+](CCO)CC3)ncn2)c1C ZINC000020566680 436111380 /nfs/dbraw/zinc/11/13/80/436111380.db2.gz JHMXGVUWBYSHDR-UHFFFAOYSA-N 1 1 330.392 0.288 50 0 ECAAMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CCO)CC1 ZINC000075568073 436163775 /nfs/dbraw/zinc/16/37/75/436163775.db2.gz RGXFPCGDLYLQMI-UHFFFAOYSA-N 1 1 344.415 0.382 50 0 ECAAMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cncn1 ZINC000027582256 436179417 /nfs/dbraw/zinc/17/94/17/436179417.db2.gz CTNFZSOTFOABGW-AWEZNQCLSA-N 1 1 329.404 0.988 50 0 ECAAMO CCn1c(=O)c2c(nc1NCCC[NH+]1CCOCC1)c(C)nn2C ZINC000032502025 436239530 /nfs/dbraw/zinc/23/95/30/436239530.db2.gz GEPWWKNHILTTEX-UHFFFAOYSA-N 1 1 334.424 0.593 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000032753252 436243128 /nfs/dbraw/zinc/24/31/28/436243128.db2.gz QHAXLBPNBIQMPG-UHFFFAOYSA-N 1 1 344.415 0.949 50 0 ECAAMO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CC(N)=O)C3)CCC2=O)cn1 ZINC000077287806 436231164 /nfs/dbraw/zinc/23/11/64/436231164.db2.gz NZLQUHAAHSZMGU-KRWDZBQOSA-N 1 1 331.420 0.475 50 0 ECAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CC(N)=O)C3)CCC2=O)cn1 ZINC000077287806 436231168 /nfs/dbraw/zinc/23/11/68/436231168.db2.gz NZLQUHAAHSZMGU-KRWDZBQOSA-N 1 1 331.420 0.475 50 0 ECAAMO CN(C)C(C)(C)C[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000079108796 436289525 /nfs/dbraw/zinc/28/95/25/436289525.db2.gz RPIPVVWAJNNRNB-OAHLLOKOSA-N 1 1 328.482 0.847 50 0 ECAAMO C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000032811212 436245285 /nfs/dbraw/zinc/24/52/85/436245285.db2.gz IZQRRXKVRNPTAP-ZJUUUORDSA-N 1 1 348.378 0.727 50 0 ECAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032811210 436245715 /nfs/dbraw/zinc/24/57/15/436245715.db2.gz IZQRRXKVRNPTAP-UWVGGRQHSA-N 1 1 348.378 0.727 50 0 ECAAMO CN1N=C(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC1=O ZINC000040505248 436265302 /nfs/dbraw/zinc/26/53/02/436265302.db2.gz QIVGYFNQUAEOPY-UHFFFAOYSA-N 1 1 343.431 0.533 50 0 ECAAMO C[C@@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000078898918 436282567 /nfs/dbraw/zinc/28/25/67/436282567.db2.gz MMJICISBXYTVGY-KOLCDFICSA-N 1 1 325.390 0.360 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000044917215 436354010 /nfs/dbraw/zinc/35/40/10/436354010.db2.gz FVAJKWKVNNPTHQ-GFCCVEGCSA-N 1 1 327.388 0.392 50 0 ECAAMO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3CNCCO3)cc2C1 ZINC000082146037 436363815 /nfs/dbraw/zinc/36/38/15/436363815.db2.gz WKDHIJYRGFMKMK-INIZCTEOSA-N 1 1 335.452 0.349 50 0 ECAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CNCCO3)cc2C1 ZINC000082146037 436363817 /nfs/dbraw/zinc/36/38/17/436363817.db2.gz WKDHIJYRGFMKMK-INIZCTEOSA-N 1 1 335.452 0.349 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccncc2)CC1 ZINC000045401617 436367425 /nfs/dbraw/zinc/36/74/25/436367425.db2.gz SHROVJNORKZACF-OAHLLOKOSA-N 1 1 331.420 0.878 50 0 ECAAMO CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000046042678 436384587 /nfs/dbraw/zinc/38/45/87/436384587.db2.gz QMWZKBCRCWHNDS-AWEZNQCLSA-N 1 1 325.434 0.269 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000046880257 436403413 /nfs/dbraw/zinc/40/34/13/436403413.db2.gz DTKVBRRPIODVKM-ZDUSSCGKSA-N 1 1 331.482 0.506 50 0 ECAAMO Cn1ccnc1C[NH+]1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000048168876 436443770 /nfs/dbraw/zinc/44/37/70/436443770.db2.gz LRXJRHWJRSPYMO-UHFFFAOYSA-N 1 1 333.436 0.275 50 0 ECAAMO Cc1cccc2oc(CNC(=O)C[NH+]3CCC(C(N)=O)CC3)nc21 ZINC000091644359 436457749 /nfs/dbraw/zinc/45/77/49/436457749.db2.gz YRCYNLFSROSFTL-UHFFFAOYSA-N 1 1 330.388 0.950 50 0 ECAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091793319 436461116 /nfs/dbraw/zinc/46/11/16/436461116.db2.gz REJUFPVORXKBPL-JKSUJKDBSA-N 1 1 326.404 0.796 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000089938038 436421684 /nfs/dbraw/zinc/42/16/84/436421684.db2.gz VLYWQFXQVZSJJC-GFCCVEGCSA-N 1 1 326.418 0.631 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000089938038 436421687 /nfs/dbraw/zinc/42/16/87/436421687.db2.gz VLYWQFXQVZSJJC-GFCCVEGCSA-N 1 1 326.418 0.631 50 0 ECAAMO Cc1nccn1CC[N@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096130344 436515576 /nfs/dbraw/zinc/51/55/76/436515576.db2.gz DLZKNTZFVFWINC-YJBOKZPZSA-N 1 1 348.447 0.689 50 0 ECAAMO Cc1nccn1CC[NH+]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096130344 436515578 /nfs/dbraw/zinc/51/55/78/436515578.db2.gz DLZKNTZFVFWINC-YJBOKZPZSA-N 1 1 348.447 0.689 50 0 ECAAMO Cc1nccn1CC[NH+]1C[C@H]2C[N@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096130344 436515583 /nfs/dbraw/zinc/51/55/83/436515583.db2.gz DLZKNTZFVFWINC-YJBOKZPZSA-N 1 1 348.447 0.689 50 0 ECAAMO CN(Cc1cnc2ccccc2n1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000096161789 436518134 /nfs/dbraw/zinc/51/81/34/436518134.db2.gz BGUNGVLDXNVQGL-FZKQIMNGSA-N 1 1 325.416 0.739 50 0 ECAAMO COc1cc(=O)n(CC(=O)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000096184159 436519399 /nfs/dbraw/zinc/51/93/99/436519399.db2.gz AVLOJIFTVRBBON-UHFFFAOYSA-N 1 1 342.399 0.693 50 0 ECAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 ZINC000095512812 436498836 /nfs/dbraw/zinc/49/88/36/436498836.db2.gz KBQADYBBKIGCEM-UHFFFAOYSA-N 1 1 347.419 0.558 50 0 ECAAMO CNC(=O)c1ccc(/C=C\C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000096400647 436530077 /nfs/dbraw/zinc/53/00/77/436530077.db2.gz ZUNAHPFOASGCMZ-YVMONPNESA-N 1 1 331.416 0.898 50 0 ECAAMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3cnn(C)c3)CC2)CC1 ZINC000097202963 436542193 /nfs/dbraw/zinc/54/21/93/436542193.db2.gz AXPIERAESQBFQT-UHFFFAOYSA-N 1 1 347.463 0.727 50 0 ECAAMO COc1ccc(CCN2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000058184788 436621736 /nfs/dbraw/zinc/62/17/36/436621736.db2.gz XRDYXRSENZSHAP-UHFFFAOYSA-N 1 1 334.420 0.440 50 0 ECAAMO C[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000106078856 436590538 /nfs/dbraw/zinc/59/05/38/436590538.db2.gz PIGHNBUNNSXLHZ-ZIAGYGMSSA-N 1 1 345.509 0.895 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106664867 436600177 /nfs/dbraw/zinc/60/01/77/436600177.db2.gz KIUKRJHDMQFJEB-BZUAXINKSA-N 1 1 333.436 0.913 50 0 ECAAMO COCC[C@]1(CO)CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000107648514 436612552 /nfs/dbraw/zinc/61/25/52/436612552.db2.gz VFMPGSQCXUQQPN-QGZVFWFLSA-N 1 1 327.469 0.262 50 0 ECAAMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnn(C)c3)CC2)CC1 ZINC000108826762 436621644 /nfs/dbraw/zinc/62/16/44/436621644.db2.gz PVEAILQGGILICT-UHFFFAOYSA-N 1 1 347.463 0.827 50 0 ECAAMO Cc1nc2c(c(=O)n1C)CC[N@@H+](Cc1ccc3c(c1)nnn3C)CC2 ZINC000065406544 436660212 /nfs/dbraw/zinc/66/02/12/436660212.db2.gz XRSAZEJBXRBDPN-UHFFFAOYSA-N 1 1 338.415 0.971 50 0 ECAAMO COCCN1C[C@@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000220324763 436699620 /nfs/dbraw/zinc/69/96/20/436699620.db2.gz YCYSGWFSSFRNAW-OAHLLOKOSA-N 1 1 345.443 0.656 50 0 ECAAMO COCCN1C[C@@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)CC1=O ZINC000220324763 436699624 /nfs/dbraw/zinc/69/96/24/436699624.db2.gz YCYSGWFSSFRNAW-OAHLLOKOSA-N 1 1 345.443 0.656 50 0 ECAAMO CCC[C@H]1CN(c2nc3c(cnn3C)c(N)n2)CC[N@H+]1CCOC ZINC000225513553 436712345 /nfs/dbraw/zinc/71/23/45/436712345.db2.gz DQBDVZRGLNYXCL-LBPRGKRZSA-N 1 1 333.440 0.883 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000241644641 436759521 /nfs/dbraw/zinc/75/95/21/436759521.db2.gz PSJYVRYTPFSSMK-KSZLIROESA-N 1 1 348.443 0.716 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000241644641 436759525 /nfs/dbraw/zinc/75/95/25/436759525.db2.gz PSJYVRYTPFSSMK-KSZLIROESA-N 1 1 348.443 0.716 50 0 ECAAMO C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000229304841 436715584 /nfs/dbraw/zinc/71/55/84/436715584.db2.gz NOPGRRXMRATDOX-OAGGEKHMSA-N 1 1 326.437 0.751 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229559594 436717092 /nfs/dbraw/zinc/71/70/92/436717092.db2.gz ZSACBTZXFHFQBT-GVDBMIGSSA-N 1 1 339.480 0.545 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(O)CC1 ZINC000069452692 436773885 /nfs/dbraw/zinc/77/38/85/436773885.db2.gz UCPLCGXFHJXOPT-UHFFFAOYSA-N 1 1 348.451 0.155 50 0 ECAAMO NC(=O)CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069571022 436780327 /nfs/dbraw/zinc/78/03/27/436780327.db2.gz HVOVDVAAIRTNNW-GFCCVEGCSA-N 1 1 329.397 0.444 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N)nc2)CC1=O ZINC000246569276 436780621 /nfs/dbraw/zinc/78/06/21/436780621.db2.gz BKGGIKQLHYJYRI-JSGCOSHPSA-N 1 1 331.420 0.935 50 0 ECAAMO O[C@]12CC[NH2+]C[C@H]1CN(CCN1CCN(c3ccccc3)CC1)CC2 ZINC000252481563 436834712 /nfs/dbraw/zinc/83/47/12/436834712.db2.gz COEPRUYNCDMVNU-ICSRJNTNSA-N 1 1 344.503 0.855 50 0 ECAAMO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000163529954 436924695 /nfs/dbraw/zinc/92/46/95/436924695.db2.gz YURFAMVUAFGSIH-HZPDHXFCSA-N 1 1 337.395 0.304 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)no1 ZINC000257366137 436878098 /nfs/dbraw/zinc/87/80/98/436878098.db2.gz KUCIZNNXZNBPQW-ZIAGYGMSSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)no1 ZINC000257366137 436878102 /nfs/dbraw/zinc/87/81/02/436878102.db2.gz KUCIZNNXZNBPQW-ZIAGYGMSSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH2+]C[C@H]3c3nccn3C)c2n1 ZINC000261669970 436883686 /nfs/dbraw/zinc/88/36/86/436883686.db2.gz GHCOWOOLMBTWAU-ZDUSSCGKSA-N 1 1 325.376 0.558 50 0 ECAAMO COCCN(Cc1cnn(C)c1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426535713 438064613 /nfs/dbraw/zinc/06/46/13/438064613.db2.gz ULYQRUMVHYBVEW-ZDUSSCGKSA-N 1 1 332.408 0.949 50 0 ECAAMO C[C@@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1cnn(C)c1 ZINC000426690745 438071270 /nfs/dbraw/zinc/07/12/70/438071270.db2.gz UPXMUQQDFCRRTI-CYBMUJFWSA-N 1 1 348.451 0.477 50 0 ECAAMO C[C@@H]1NC(=O)N(CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)C1=O ZINC000528642523 439357294 /nfs/dbraw/zinc/35/72/94/439357294.db2.gz WMPZCJJOOGYBDU-QWHCGFSZSA-N 1 1 325.409 0.180 50 0 ECAAMO CC[NH+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000585142609 439635417 /nfs/dbraw/zinc/63/54/17/439635417.db2.gz ZYVISEXJDNJYOC-RYUDHWBXSA-N 1 1 342.465 0.488 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2CC(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000584897958 439626847 /nfs/dbraw/zinc/62/68/47/439626847.db2.gz CFDMUDIXHRKCHT-GASCZTMLSA-N 1 1 335.473 0.861 50 0 ECAAMO C[C@@H](C(=O)N1CCN(Cc2ccc(O)cc2)CC1)N1CC[NH+](C)CC1 ZINC000630095453 440850441 /nfs/dbraw/zinc/85/04/41/440850441.db2.gz RWMPEUIIMCPSHW-INIZCTEOSA-N 1 1 346.475 0.672 50 0 ECAAMO COCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000670434681 548009945 /nfs/dbraw/zinc/00/99/45/548009945.db2.gz QZUDMYLFTBDOLP-CYBMUJFWSA-N 1 1 330.454 0.365 50 0 ECAAMO Cc1[nH+]cn(CCNC(=O)N(C)C2CCS(=O)(=O)CC2)c1C ZINC000670471459 548017670 /nfs/dbraw/zinc/01/76/70/548017670.db2.gz WVHLLAKRFISZBS-UHFFFAOYSA-N 1 1 328.438 0.719 50 0 ECAAMO COc1ncncc1CN1C[C@H]2C[N@@H+](C)CC[C@@]2(c2nc(C)no2)C1 ZINC000685940429 549727317 /nfs/dbraw/zinc/72/73/17/549727317.db2.gz LCASYRWSSAGXKI-RHSMWYFYSA-N 1 1 344.419 0.882 50 0 ECAAMO CC[NH+]1CCN(C(=O)C[C@@H]2CCCN(c3cn[nH]c(=O)c3)C2)CC1 ZINC000169748937 609745011 /nfs/dbraw/zinc/74/50/11/609745011.db2.gz RYSKVTPHJLROGO-AWEZNQCLSA-N 1 1 333.436 0.541 50 0 ECAAMO CCn1nccc1C(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](C)C3)C1 ZINC000169791740 609747188 /nfs/dbraw/zinc/74/71/88/609747188.db2.gz HLWATGPPZVHOON-ZDUSSCGKSA-N 1 1 343.435 0.960 50 0 ECAAMO C[C@@H](CNC(=O)c1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000183196783 610309938 /nfs/dbraw/zinc/30/99/38/610309938.db2.gz DPWNHJBVLGICQD-AWEZNQCLSA-N 1 1 329.404 0.965 50 0 ECAAMO OCC[NH+]1CCN(c2nc3nonc3nc2NC2CCCC2)CC1 ZINC000020326913 740171322 /nfs/dbraw/zinc/17/13/22/740171322.db2.gz FYZISQWLZQDXAU-UHFFFAOYSA-N 1 1 333.396 0.482 50 0 ECAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000097674212 219046034 /nfs/dbraw/zinc/04/60/34/219046034.db2.gz GTUSUSMQCGVMBO-ZDUSSCGKSA-N 1 1 337.445 0.953 50 0 ECAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000097674212 219046035 /nfs/dbraw/zinc/04/60/35/219046035.db2.gz GTUSUSMQCGVMBO-ZDUSSCGKSA-N 1 1 337.445 0.953 50 0 ECAAMO NC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000052961960 214157982 /nfs/dbraw/zinc/15/79/82/214157982.db2.gz LFKHKLAPOWFWFY-ZFWWWQNUSA-N 1 1 335.379 0.533 50 0 ECAAMO O=C(c1cn[nH]c1)N1CC[N@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097733073 219052229 /nfs/dbraw/zinc/05/22/29/219052229.db2.gz HVPMHRKCCJGCOY-KRWDZBQOSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1cn[nH]c1)N1CC[N@@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097733073 219052231 /nfs/dbraw/zinc/05/22/31/219052231.db2.gz HVPMHRKCCJGCOY-KRWDZBQOSA-N 1 1 344.415 0.745 50 0 ECAAMO COc1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1OCC(N)=O ZINC000098055867 219075149 /nfs/dbraw/zinc/07/51/49/219075149.db2.gz BPQRPMKIDMRVSR-SCXUMTSISA-N 1 1 347.415 0.735 50 0 ECAAMO C[C@H]1C[N@H+](C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)CCO1 ZINC000067400159 215140596 /nfs/dbraw/zinc/14/05/96/215140596.db2.gz MUBFFSGETPSNLI-LBPRGKRZSA-N 1 1 335.456 0.205 50 0 ECAAMO CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067672897 215176755 /nfs/dbraw/zinc/17/67/55/215176755.db2.gz VRDCMZMPQKZLNQ-UHFFFAOYSA-N 1 1 347.463 0.796 50 0 ECAAMO COCCN1CCC[C@](O)(C[NH+]2CC(Oc3ccccc3)C2)C1=O ZINC000067678062 215182652 /nfs/dbraw/zinc/18/26/52/215182652.db2.gz DMDRNECPYPCCQB-SFHVURJKSA-N 1 1 334.416 0.750 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccn3)C2)cn1C ZINC000067840518 215225387 /nfs/dbraw/zinc/22/53/87/215225387.db2.gz QEPPPUFJMHIZDS-CQSZACIVSA-N 1 1 349.460 0.924 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccn3)C2)cn1C ZINC000067840518 215225390 /nfs/dbraw/zinc/22/53/90/215225390.db2.gz QEPPPUFJMHIZDS-CQSZACIVSA-N 1 1 349.460 0.924 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000040511048 213327814 /nfs/dbraw/zinc/32/78/14/213327814.db2.gz YWJYHCUIZVRBBI-UHFFFAOYSA-N 1 1 342.403 0.208 50 0 ECAAMO CCN1CCN(C2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000069560067 215471772 /nfs/dbraw/zinc/47/17/72/215471772.db2.gz PXVZBLFHIPZLEN-AWEZNQCLSA-N 1 1 340.468 0.750 50 0 ECAAMO Cc1cc(=O)n(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000038509439 213212728 /nfs/dbraw/zinc/21/27/28/213212728.db2.gz GZXJICAKNSGTHQ-UHFFFAOYSA-N 1 1 340.427 0.939 50 0 ECAAMO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072126552 216018090 /nfs/dbraw/zinc/01/80/90/216018090.db2.gz GXVYQLVLHBVHGS-AWEZNQCLSA-N 1 1 331.420 0.601 50 0 ECAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC000072154691 216043204 /nfs/dbraw/zinc/04/32/04/216043204.db2.gz PWRNYYCUNKASMU-OAHLLOKOSA-N 1 1 332.448 0.767 50 0 ECAAMO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000072169166 216060354 /nfs/dbraw/zinc/06/03/54/216060354.db2.gz LREUHYNRPDBVQI-KRWDZBQOSA-N 1 1 330.388 0.921 50 0 ECAAMO CC(C)(CO)NC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072172758 216063101 /nfs/dbraw/zinc/06/31/01/216063101.db2.gz MMJQLUVBVHELMY-INIZCTEOSA-N 1 1 347.459 0.697 50 0 ECAAMO CC(C)(CO)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072172758 216063104 /nfs/dbraw/zinc/06/31/04/216063104.db2.gz MMJQLUVBVHELMY-INIZCTEOSA-N 1 1 347.459 0.697 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000072269900 216092000 /nfs/dbraw/zinc/09/20/00/216092000.db2.gz FCYBDWIPZDXGNQ-CQSZACIVSA-N 1 1 333.436 0.606 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000072269655 216092216 /nfs/dbraw/zinc/09/22/16/216092216.db2.gz DCXCJRNGZQEOPF-UHFFFAOYSA-N 1 1 335.404 0.079 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C(N)=O ZINC000072282384 216111801 /nfs/dbraw/zinc/11/18/01/216111801.db2.gz HYSKEEXJMTUPEM-QWHCGFSZSA-N 1 1 337.445 0.951 50 0 ECAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1NCCc2nc[nH]c21 ZINC000072426763 216217707 /nfs/dbraw/zinc/21/77/07/216217707.db2.gz TUSVGJWAVMPRIE-MRXNPFEDSA-N 1 1 347.463 0.748 50 0 ECAAMO CCCN1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2nc(N)n[nH]2)CC1 ZINC000072477679 216255741 /nfs/dbraw/zinc/25/57/41/216255741.db2.gz IKNJMKZEVAHGHH-KGLIPLIRSA-N 1 1 349.483 0.431 50 0 ECAAMO CCC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2nc(N)n[nH]2)CC1 ZINC000072477679 216255745 /nfs/dbraw/zinc/25/57/45/216255745.db2.gz IKNJMKZEVAHGHH-KGLIPLIRSA-N 1 1 349.483 0.431 50 0 ECAAMO O=C([C@H]1CSCCC(=O)N1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000075171359 216595171 /nfs/dbraw/zinc/59/51/71/216595171.db2.gz DTUMPRJXYKSTHI-MRXNPFEDSA-N 1 1 347.484 0.995 50 0 ECAAMO O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000020778142 212169525 /nfs/dbraw/zinc/16/95/25/212169525.db2.gz GPDOHJSEEADGFS-HZPDHXFCSA-N 1 1 326.404 0.764 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccncc3)no2)CC1 ZINC000020676996 212162721 /nfs/dbraw/zinc/16/27/21/212162721.db2.gz VMZQDMZBWDPQTP-UHFFFAOYSA-N 1 1 330.392 0.499 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCC(C)C)[nH]n1 ZINC000012434364 211379875 /nfs/dbraw/zinc/37/98/75/211379875.db2.gz IXTJUAWOKLKMAM-OAHLLOKOSA-N 1 1 335.452 0.913 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCC(C)C)n[nH]1 ZINC000012434364 211379884 /nfs/dbraw/zinc/37/98/84/211379884.db2.gz IXTJUAWOKLKMAM-OAHLLOKOSA-N 1 1 335.452 0.913 50 0 ECAAMO Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCC(C)C)n[nH]1 ZINC000012434364 211379888 /nfs/dbraw/zinc/37/98/88/211379888.db2.gz IXTJUAWOKLKMAM-OAHLLOKOSA-N 1 1 335.452 0.913 50 0 ECAAMO CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1 ZINC000012002054 211277919 /nfs/dbraw/zinc/27/79/19/211277919.db2.gz NKVZTRZSLWIMCI-MRXNPFEDSA-N 1 1 338.496 0.777 50 0 ECAAMO COCCC[C@@]1(CO)CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000091444478 218006873 /nfs/dbraw/zinc/00/68/73/218006873.db2.gz ZMUXSTOLQMIGQU-SFHVURJKSA-N 1 1 341.496 0.652 50 0 ECAAMO Cn1c(Cn2cncn2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000091452161 218007930 /nfs/dbraw/zinc/00/79/30/218007930.db2.gz IPRDUURDVZGWRY-UHFFFAOYSA-N 1 1 340.395 0.211 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@@H]2CO)CC1 ZINC000091486870 218013505 /nfs/dbraw/zinc/01/35/05/218013505.db2.gz NPDDKKBLCZJMDH-HUUCEWRRSA-N 1 1 348.447 0.480 50 0 ECAAMO Cc1cc(CC(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)on1 ZINC000091604711 218031878 /nfs/dbraw/zinc/03/18/78/218031878.db2.gz PNVKJVLBAUXBAD-QGZVFWFLSA-N 1 1 334.420 0.681 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)nc(-c2ccccc2O)n1 ZINC000091536941 218019156 /nfs/dbraw/zinc/01/91/56/218019156.db2.gz ZRXWTLGEBYLBOH-YPMHNXCESA-N 1 1 327.388 0.810 50 0 ECAAMO CCn1cc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cn1 ZINC000091706775 218051978 /nfs/dbraw/zinc/05/19/78/218051978.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 1 1 335.496 0.581 50 0 ECAAMO CCn1cc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cn1 ZINC000091706775 218051981 /nfs/dbraw/zinc/05/19/81/218051981.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 1 1 335.496 0.581 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2ccncc2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000091645596 218038621 /nfs/dbraw/zinc/03/86/21/218038621.db2.gz YRSUDKYZMOYLBT-GOSISDBHSA-N 1 1 346.431 0.213 50 0 ECAAMO CCCn1ccnc1C[NH+]1CCC2(CCC(=O)N(CC(N)=O)C2)CC1 ZINC000091656709 218041429 /nfs/dbraw/zinc/04/14/29/218041429.db2.gz ULRJTOCOYHHIJV-UHFFFAOYSA-N 1 1 347.463 0.983 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@@H]1CO ZINC000091665271 218044253 /nfs/dbraw/zinc/04/42/53/218044253.db2.gz JSDZXWKOUFPROJ-HZPDHXFCSA-N 1 1 336.432 0.316 50 0 ECAAMO Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cn1 ZINC000091859623 218078142 /nfs/dbraw/zinc/07/81/42/218078142.db2.gz UXLFJRMDIFRBQX-IAGOWNOFSA-N 1 1 348.491 0.872 50 0 ECAAMO Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cn1 ZINC000091859623 218078145 /nfs/dbraw/zinc/07/81/45/218078145.db2.gz UXLFJRMDIFRBQX-IAGOWNOFSA-N 1 1 348.491 0.872 50 0 ECAAMO Cn1cc(C(=O)NC2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000092074612 218114352 /nfs/dbraw/zinc/11/43/52/218114352.db2.gz QPAFXZJGDKMLLZ-UHFFFAOYSA-N 1 1 347.444 0.975 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000010339668 211166946 /nfs/dbraw/zinc/16/69/46/211166946.db2.gz DRALYSISWLKZDD-CYBMUJFWSA-N 1 1 342.399 0.686 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000010339668 211166949 /nfs/dbraw/zinc/16/69/49/211166949.db2.gz DRALYSISWLKZDD-CYBMUJFWSA-N 1 1 342.399 0.686 50 0 ECAAMO COCC(=O)N1CCC[C@@H](C(=O)NCCNc2[nH+]cccc2C)C1 ZINC000095358388 218292031 /nfs/dbraw/zinc/29/20/31/218292031.db2.gz GGXFFEJSCJHQBR-CQSZACIVSA-N 1 1 334.420 0.803 50 0 ECAAMO COCCn1cnnc1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000095387056 218319720 /nfs/dbraw/zinc/31/97/20/218319720.db2.gz VRUWXZRLXWDRGE-AWEZNQCLSA-N 1 1 343.431 0.988 50 0 ECAAMO COCCn1cnnc1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000095387056 218319722 /nfs/dbraw/zinc/31/97/22/218319722.db2.gz VRUWXZRLXWDRGE-AWEZNQCLSA-N 1 1 343.431 0.988 50 0 ECAAMO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc(=O)[nH]1 ZINC000095390238 218321374 /nfs/dbraw/zinc/32/13/74/218321374.db2.gz CSZDVSTYMZUIOJ-CYBMUJFWSA-N 1 1 334.420 0.586 50 0 ECAAMO C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000095405287 218340912 /nfs/dbraw/zinc/34/09/12/218340912.db2.gz JUVOAZQBIHZTLB-IJEWVQPXSA-N 1 1 334.464 0.981 50 0 ECAAMO CC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095438369 218382100 /nfs/dbraw/zinc/38/21/00/218382100.db2.gz CSEQONISGUVYND-IRXDYDNUSA-N 1 1 338.496 0.918 50 0 ECAAMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cnn(C)c3)C2)cc1 ZINC000154608107 533042615 /nfs/dbraw/zinc/04/26/15/533042615.db2.gz VOWNWGASFDQBPB-UHFFFAOYSA-N 1 1 336.417 0.591 50 0 ECAAMO CNC(=O)Cc1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000299785683 258093024 /nfs/dbraw/zinc/09/30/24/258093024.db2.gz LLYFBQKIWJOPKU-MRXNPFEDSA-N 1 1 348.447 0.943 50 0 ECAAMO Cn1nc(CO)c2c1CCN(c1cc([C@H]3CCOC3)[nH+]c(N)n1)C2 ZINC000299790148 258096220 /nfs/dbraw/zinc/09/62/20/258096220.db2.gz AUQNQKSEUZVHGV-JTQLQIEISA-N 1 1 330.392 0.351 50 0 ECAAMO NS(=O)(=O)c1ccc(NC(=O)C[N@H+](CCCO)C2CC2)cc1 ZINC000069974330 258063617 /nfs/dbraw/zinc/06/36/17/258063617.db2.gz MNVASTJNYOMILI-UHFFFAOYSA-N 1 1 327.406 0.119 50 0 ECAAMO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](CCCO)C2CC2)cc1 ZINC000069974330 258063619 /nfs/dbraw/zinc/06/36/19/258063619.db2.gz MNVASTJNYOMILI-UHFFFAOYSA-N 1 1 327.406 0.119 50 0 ECAAMO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C[C@H](C)O1 ZINC000299768936 258082890 /nfs/dbraw/zinc/08/28/90/258082890.db2.gz NQMUHMXXLGWAAI-GASCZTMLSA-N 1 1 348.447 0.798 50 0 ECAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000245400188 165104433 /nfs/dbraw/zinc/10/44/33/165104433.db2.gz BPUJENPFEWMECC-CABCVRRESA-N 1 1 328.453 0.876 50 0 ECAAMO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261646873 165220791 /nfs/dbraw/zinc/22/07/91/165220791.db2.gz JATAZRHGTVZRED-QGZVFWFLSA-N 1 1 346.475 0.740 50 0 ECAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CCc3nncn3C)cc2C1 ZINC000082160979 276262129 /nfs/dbraw/zinc/26/21/29/276262129.db2.gz ALOJDEAVXCHUBL-UHFFFAOYSA-N 1 1 345.451 0.876 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000095480475 276378348 /nfs/dbraw/zinc/37/83/48/276378348.db2.gz LFVXFOCBTQLLSQ-AWEZNQCLSA-N 1 1 344.419 0.856 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 ZINC000071881795 276596822 /nfs/dbraw/zinc/59/68/22/276596822.db2.gz HDMJUAUYZXYSOI-ZDUSSCGKSA-N 1 1 330.392 0.191 50 0 ECAAMO CC(=O)NC1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000075133754 278080024 /nfs/dbraw/zinc/08/00/24/278080024.db2.gz MGMZMFRHGJKJQK-UHFFFAOYSA-N 1 1 325.453 0.741 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000096181780 279348346 /nfs/dbraw/zinc/34/83/46/279348346.db2.gz MCHGSNCGXAACKX-IRXDYDNUSA-N 1 1 349.406 0.888 50 0 ECAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000247562029 288314737 /nfs/dbraw/zinc/31/47/37/288314737.db2.gz UWUNAELSTACKNV-OCCSQVGLSA-N 1 1 349.456 0.830 50 0 ECAAMO Nc1nc(Cl)cc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000040497796 295367626 /nfs/dbraw/zinc/36/76/26/295367626.db2.gz MFKOXUTYCVPZMB-MNOVXSKESA-N 1 1 327.816 0.861 50 0 ECAAMO CCOC(=O)c1cnn(CC[N@H+](CC)CC(=O)NC(C)C)c1N ZINC000069743991 435962049 /nfs/dbraw/zinc/96/20/49/435962049.db2.gz WTZPHTBTBFNZMV-UHFFFAOYSA-N 1 1 325.413 0.489 50 0 ECAAMO CCOC(=O)c1cnn(CC[N@@H+](CC)CC(=O)NC(C)C)c1N ZINC000069743991 435962057 /nfs/dbraw/zinc/96/20/57/435962057.db2.gz WTZPHTBTBFNZMV-UHFFFAOYSA-N 1 1 325.413 0.489 50 0 ECAAMO CC(C)Oc1ccc(CNC(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000069773515 435966219 /nfs/dbraw/zinc/96/62/19/435966219.db2.gz SHECOROLJXXDON-UHFFFAOYSA-N 1 1 335.448 0.700 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000069810943 435967873 /nfs/dbraw/zinc/96/78/73/435967873.db2.gz ZVJUYOZNAMPFQI-CQSZACIVSA-N 1 1 337.445 0.809 50 0 ECAAMO COCC[NH+]1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000069840961 435969927 /nfs/dbraw/zinc/96/99/27/435969927.db2.gz SYZBQFGVYFGWPC-NSHDSACASA-N 1 1 340.449 0.438 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)CC1 ZINC000069980876 435979227 /nfs/dbraw/zinc/97/92/27/435979227.db2.gz MUUCBFMSSJTFIB-UONOGXRCSA-N 1 1 338.477 0.885 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000069980940 435980607 /nfs/dbraw/zinc/98/06/07/435980607.db2.gz CCZFQJOVLXDZSJ-HOTGVXAUSA-N 1 1 332.448 0.823 50 0 ECAAMO C[C@H]1CN(CCN2C(=O)CNC2=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000070006522 435982452 /nfs/dbraw/zinc/98/24/52/435982452.db2.gz QGMFUSLKXVTTLO-HOCLYGCPSA-N 1 1 346.431 0.278 50 0 ECAAMO C[N@@H+](CC(=O)NCCS(=O)(=O)NCc1ccc(F)cc1)C1CC1 ZINC000069631299 435953044 /nfs/dbraw/zinc/95/30/44/435953044.db2.gz QNVLTCCQAQEGCS-UHFFFAOYSA-N 1 1 343.424 0.456 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)C[C@@H](C)O1 ZINC000071877009 436021722 /nfs/dbraw/zinc/02/17/22/436021722.db2.gz HTYIPHUNEGEECT-VQHPVUNQSA-N 1 1 337.468 0.603 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000071881875 436025079 /nfs/dbraw/zinc/02/50/79/436025079.db2.gz NQAGVJXBKUOVJP-OAHLLOKOSA-N 1 1 336.436 0.303 50 0 ECAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC000008395503 436028292 /nfs/dbraw/zinc/02/82/92/436028292.db2.gz AHTLBZGKDDPRKX-KBPBESRZSA-N 1 1 339.388 0.678 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2CC)c(=O)n(C)c1=O ZINC000008708858 436030399 /nfs/dbraw/zinc/03/03/99/436030399.db2.gz OYNYZNSQFTYRJM-GFCCVEGCSA-N 1 1 336.436 0.986 50 0 ECAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2CC)c(=O)n(C)c1=O ZINC000008708858 436030408 /nfs/dbraw/zinc/03/04/08/436030408.db2.gz OYNYZNSQFTYRJM-GFCCVEGCSA-N 1 1 336.436 0.986 50 0 ECAAMO O=C(c1coc2c1C(=O)CCC2)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072147968 436033499 /nfs/dbraw/zinc/03/34/99/436033499.db2.gz SIEDJZAQVIZFCK-ZDUSSCGKSA-N 1 1 345.399 0.835 50 0 ECAAMO Cc1nc2n(n1)C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)CC2 ZINC000072268008 436036666 /nfs/dbraw/zinc/03/66/66/436036666.db2.gz RVCAWIGCJOPJJB-LLVKDONJSA-N 1 1 334.449 0.778 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000072268767 436037852 /nfs/dbraw/zinc/03/78/52/436037852.db2.gz ZSACBTZXFHFQBT-BRWVUGGUSA-N 1 1 339.480 0.545 50 0 ECAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)cc1C ZINC000014745993 436076406 /nfs/dbraw/zinc/07/64/06/436076406.db2.gz LUMLOBPJLBNANT-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)cc1C ZINC000014745993 436076412 /nfs/dbraw/zinc/07/64/12/436076412.db2.gz LUMLOBPJLBNANT-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000016649628 436094396 /nfs/dbraw/zinc/09/43/96/436094396.db2.gz MJWBBAFIJHHDIT-UHFFFAOYSA-N 1 1 339.461 0.644 50 0 ECAAMO C[C@@H](NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccco1 ZINC000024677260 436137248 /nfs/dbraw/zinc/13/72/48/436137248.db2.gz QPKGIMPDSTZRAL-CQSZACIVSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@@H](NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccco1 ZINC000024677260 436137255 /nfs/dbraw/zinc/13/72/55/436137255.db2.gz QPKGIMPDSTZRAL-CQSZACIVSA-N 1 1 336.436 0.553 50 0 ECAAMO COc1ncnc(N)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000075093176 436149318 /nfs/dbraw/zinc/14/93/18/436149318.db2.gz GHXYZMIUZXDMIR-SNVBAGLBSA-N 1 1 348.359 0.326 50 0 ECAAMO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132929 436151885 /nfs/dbraw/zinc/15/18/85/436151885.db2.gz LOCIVAAAAYQBRV-HIFRSBDPSA-N 1 1 338.452 0.502 50 0 ECAAMO C[NH+]1CCN(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000020405848 436110661 /nfs/dbraw/zinc/11/06/61/436110661.db2.gz QUDHMYNQONHXOP-UHFFFAOYSA-N 1 1 336.411 0.848 50 0 ECAAMO O=C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NCC(=O)N1CCCC1 ZINC000075145907 436155172 /nfs/dbraw/zinc/15/51/72/436155172.db2.gz WSOBLWCHWBVTQM-PMPSAXMXSA-N 1 1 334.464 0.141 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000076047802 436186122 /nfs/dbraw/zinc/18/61/22/436186122.db2.gz WESUNXUZTCDZAF-GFCCVEGCSA-N 1 1 335.408 0.295 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000076047802 436186126 /nfs/dbraw/zinc/18/61/26/436186126.db2.gz WESUNXUZTCDZAF-GFCCVEGCSA-N 1 1 335.408 0.295 50 0 ECAAMO O[C@@]1(CN2CCC(c3nnc4ccccn43)CC2)C[NH2+]CCOC1 ZINC000077471657 436238599 /nfs/dbraw/zinc/23/85/99/436238599.db2.gz UYDRARDEXGSYJV-QGZVFWFLSA-N 1 1 331.420 0.260 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@H]2C)CC1 ZINC000076055819 436188934 /nfs/dbraw/zinc/18/89/34/436188934.db2.gz OOWXGPIVLZEOON-YOEHRIQHSA-N 1 1 336.480 0.339 50 0 ECAAMO COCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000076054942 436189961 /nfs/dbraw/zinc/18/99/61/436189961.db2.gz BHXMBFHEJUKECI-GOEBONIOSA-N 1 1 349.431 0.287 50 0 ECAAMO O=C([C@H]1CCCO1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000077134242 436224476 /nfs/dbraw/zinc/22/44/76/436224476.db2.gz JLPFXHSYSYFWQD-CQSZACIVSA-N 1 1 347.419 0.141 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000078896234 436282379 /nfs/dbraw/zinc/28/23/79/436282379.db2.gz GKGOOTODVIHGNC-GOEBONIOSA-N 1 1 345.509 0.296 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000078896234 436282382 /nfs/dbraw/zinc/28/23/82/436282382.db2.gz GKGOOTODVIHGNC-GOEBONIOSA-N 1 1 345.509 0.296 50 0 ECAAMO CN1C(=O)N[C@@](C)([C@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)C1=O ZINC000078899338 436282895 /nfs/dbraw/zinc/28/28/95/436282895.db2.gz HWYIAYZAVXQWLY-GUYCJALGSA-N 1 1 332.404 0.538 50 0 ECAAMO CCCn1nnnc1CN1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000078896220 436283363 /nfs/dbraw/zinc/28/33/63/436283363.db2.gz ZUQOVGQFXLWCTE-GDBMZVCRSA-N 1 1 349.483 0.458 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccco1 ZINC000042476240 436304397 /nfs/dbraw/zinc/30/43/97/436304397.db2.gz JRTXNERQGDAMBB-CHWSQXEVSA-N 1 1 343.449 0.813 50 0 ECAAMO CCn1cc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000043645402 436334049 /nfs/dbraw/zinc/33/40/49/436334049.db2.gz VAGUONLJWLZTPS-DZGCQCFKSA-N 1 1 337.424 0.762 50 0 ECAAMO CCN(CC)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)N1CC[NH+](C)CC1 ZINC000082100535 436360956 /nfs/dbraw/zinc/36/09/56/436360956.db2.gz QIXMQDJJRRFVEV-KBPBESRZSA-N 1 1 343.447 0.818 50 0 ECAAMO O=C([C@@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1)N1CCOCC1 ZINC000082087691 436361303 /nfs/dbraw/zinc/36/13/03/436361303.db2.gz RFICNSASDCXAFK-MRXNPFEDSA-N 1 1 339.480 0.404 50 0 ECAAMO [NH3+]C[C@@H](O)CC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000082162168 436362887 /nfs/dbraw/zinc/36/28/87/436362887.db2.gz UOOHPFHUYIUVEO-KRWDZBQOSA-N 1 1 349.479 0.747 50 0 ECAAMO Cc1cccc(OCCNC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000045608160 436371943 /nfs/dbraw/zinc/37/19/43/436371943.db2.gz NDQHSVNJYFXFBT-UHFFFAOYSA-N 1 1 334.420 0.623 50 0 ECAAMO C[N@H+](CCNS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000083860935 436377211 /nfs/dbraw/zinc/37/72/11/436377211.db2.gz DQKPESVJHNRCIZ-ZDUSSCGKSA-N 1 1 347.506 0.602 50 0 ECAAMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H](c1cccs1)N1CCOCC1 ZINC000083860935 436377215 /nfs/dbraw/zinc/37/72/15/436377215.db2.gz DQKPESVJHNRCIZ-ZDUSSCGKSA-N 1 1 347.506 0.602 50 0 ECAAMO COc1ccc(C(=O)N2CCOC[C@@H]2C[N@@H+](C)CCO)cc1OC ZINC000085469835 436390327 /nfs/dbraw/zinc/39/03/27/436390327.db2.gz VTXZMFLDUBVJJY-AWEZNQCLSA-N 1 1 338.404 0.469 50 0 ECAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000046883882 436404488 /nfs/dbraw/zinc/40/44/88/436404488.db2.gz NMANSYNZLDMQKW-OKILXGFUSA-N 1 1 345.509 0.752 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1ncccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047012165 436408173 /nfs/dbraw/zinc/40/81/73/436408173.db2.gz HUKZSJMOHFHNOR-MELADBBJSA-N 1 1 336.440 0.685 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1ncccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047012165 436408179 /nfs/dbraw/zinc/40/81/79/436408179.db2.gz HUKZSJMOHFHNOR-MELADBBJSA-N 1 1 336.440 0.685 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccco1 ZINC000048288551 436448093 /nfs/dbraw/zinc/44/80/93/436448093.db2.gz UAAOYZPLXGZSMV-LLVKDONJSA-N 1 1 334.401 0.975 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@@H]1CO ZINC000091289404 436448794 /nfs/dbraw/zinc/44/87/94/436448794.db2.gz IRAIBHNZOWUBTF-VXGBXAGGSA-N 1 1 343.374 0.355 50 0 ECAAMO Cc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)nc(N2CCCC2)n1 ZINC000092046694 436467485 /nfs/dbraw/zinc/46/74/85/436467485.db2.gz KUBKWXCITHFKHH-HZPDHXFCSA-N 1 1 349.479 0.354 50 0 ECAAMO Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)nc(N2CCCC2)n1 ZINC000092046694 436467490 /nfs/dbraw/zinc/46/74/90/436467490.db2.gz KUBKWXCITHFKHH-HZPDHXFCSA-N 1 1 349.479 0.354 50 0 ECAAMO NC(=O)c1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091412459 436451262 /nfs/dbraw/zinc/45/12/62/436451262.db2.gz KMQDFAJWHCFJPH-MRXNPFEDSA-N 1 1 333.392 0.393 50 0 ECAAMO NC(=O)c1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091412459 436451264 /nfs/dbraw/zinc/45/12/64/436451264.db2.gz KMQDFAJWHCFJPH-MRXNPFEDSA-N 1 1 333.392 0.393 50 0 ECAAMO Cc1nn(CC(=O)NC[C@@H]2COCC[N@H+](C)C2)c(=O)c2ccccc12 ZINC000091643360 436457124 /nfs/dbraw/zinc/45/71/24/436457124.db2.gz HOUNBBFMYMKRLV-AWEZNQCLSA-N 1 1 344.415 0.399 50 0 ECAAMO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261996 436414842 /nfs/dbraw/zinc/41/48/42/436414842.db2.gz WUGAUVKWRVKXLJ-SECBINFHSA-N 1 1 341.209 0.980 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261996 436414844 /nfs/dbraw/zinc/41/48/44/436414844.db2.gz WUGAUVKWRVKXLJ-SECBINFHSA-N 1 1 341.209 0.980 50 0 ECAAMO C[NH+]1CCC(Oc2ccc(NC(=O)NCc3nn[nH]n3)cc2)CC1 ZINC000095517521 436497739 /nfs/dbraw/zinc/49/77/39/436497739.db2.gz ZPFZIZMEJHTHST-UHFFFAOYSA-N 1 1 331.380 0.994 50 0 ECAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000095505341 436498367 /nfs/dbraw/zinc/49/83/67/436498367.db2.gz NATDHKTXMLSKLV-ZDUSSCGKSA-N 1 1 348.451 0.121 50 0 ECAAMO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095505341 436498369 /nfs/dbraw/zinc/49/83/69/436498369.db2.gz NATDHKTXMLSKLV-ZDUSSCGKSA-N 1 1 348.451 0.121 50 0 ECAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1 ZINC000095505341 436498374 /nfs/dbraw/zinc/49/83/74/436498374.db2.gz NATDHKTXMLSKLV-ZDUSSCGKSA-N 1 1 348.451 0.121 50 0 ECAAMO CC(C)[NH+]1CCC(CC(=O)N2CCNC(=O)[C@H]2Cc2cnc[nH]2)CC1 ZINC000095525912 436500569 /nfs/dbraw/zinc/50/05/69/436500569.db2.gz UFLIFRHOCHIVLX-MRXNPFEDSA-N 1 1 347.463 0.790 50 0 ECAAMO Cc1cnn(CCC(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000096416575 436532834 /nfs/dbraw/zinc/53/28/34/436532834.db2.gz HEBGUZQLGKZCJL-UHFFFAOYSA-N 1 1 343.435 0.786 50 0 ECAAMO CNC(=O)c1ccc(/C=C/C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000058406423 436625438 /nfs/dbraw/zinc/62/54/38/436625438.db2.gz ZUNAHPFOASGCMZ-VMPITWQZSA-N 1 1 331.416 0.898 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000105940682 436587913 /nfs/dbraw/zinc/58/79/13/436587913.db2.gz HKHWKVOVNGZMRW-HUUCEWRRSA-N 1 1 329.400 0.554 50 0 ECAAMO Cc1cccn2c(=O)cc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)nc12 ZINC000106868030 436603226 /nfs/dbraw/zinc/60/32/26/436603226.db2.gz FZMJLPQCOCJHIP-LSDHHAIUSA-N 1 1 330.432 0.890 50 0 ECAAMO CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000106921403 436605851 /nfs/dbraw/zinc/60/58/51/436605851.db2.gz VNWUXPJHOPEQDL-QGZVFWFLSA-N 1 1 344.459 0.785 50 0 ECAAMO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000110585153 436628352 /nfs/dbraw/zinc/62/83/52/436628352.db2.gz VCLSSLMAUCMUKP-RDJZCZTQSA-N 1 1 333.432 0.827 50 0 ECAAMO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000110585153 436628355 /nfs/dbraw/zinc/62/83/55/436628355.db2.gz VCLSSLMAUCMUKP-RDJZCZTQSA-N 1 1 333.432 0.827 50 0 ECAAMO Cc1nn(CCO)c(C)c1CN1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107674758 436613909 /nfs/dbraw/zinc/61/39/09/436613909.db2.gz GNSRCYFYHALGEC-GOSISDBHSA-N 1 1 349.479 0.279 50 0 ECAAMO CCN1C[C@H](C[N@@H+](C)Cc2cc(=O)[nH]c(=O)[nH]2)Oc2ccccc21 ZINC000058226101 436621381 /nfs/dbraw/zinc/62/13/81/436621381.db2.gz MNSRETMMEMVXEE-ZDUSSCGKSA-N 1 1 330.388 0.783 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1C ZINC000064923073 436650534 /nfs/dbraw/zinc/65/05/34/436650534.db2.gz JXLWLQSNCJVSAS-GFCCVEGCSA-N 1 1 343.449 0.883 50 0 ECAAMO Cc1nnc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)s1 ZINC000221210278 436701507 /nfs/dbraw/zinc/70/15/07/436701507.db2.gz RVSPZLKGEOWGHE-NSHDSACASA-N 1 1 325.438 0.104 50 0 ECAAMO Cc1nnc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)s1 ZINC000221210278 436701509 /nfs/dbraw/zinc/70/15/09/436701509.db2.gz RVSPZLKGEOWGHE-NSHDSACASA-N 1 1 325.438 0.104 50 0 ECAAMO CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)nn1 ZINC000225443945 436710815 /nfs/dbraw/zinc/71/08/15/436710815.db2.gz MLGJBMJMLQWTNP-KGLIPLIRSA-N 1 1 333.436 0.864 50 0 ECAAMO CS(=O)(=O)N1CCC(C(=O)NCCn2cc[nH+]c2C2CC2)CC1 ZINC000225566866 436712295 /nfs/dbraw/zinc/71/22/95/436712295.db2.gz GNZYGKBZAKOIER-UHFFFAOYSA-N 1 1 340.449 0.548 50 0 ECAAMO C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000225650344 436713058 /nfs/dbraw/zinc/71/30/58/436713058.db2.gz NMSHTNYLIOWDIS-HNNXBMFYSA-N 1 1 336.484 0.844 50 0 ECAAMO CC(=O)N1CC[NH+]([C@H]2CN(CC(=O)Nc3cc(C)no3)C[C@@H]2C)CC1 ZINC000229306862 436715325 /nfs/dbraw/zinc/71/53/25/436715325.db2.gz FJZCTKRCYOCPMF-WFASDCNBSA-N 1 1 349.435 0.406 50 0 ECAAMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065594264 436669835 /nfs/dbraw/zinc/66/98/35/436669835.db2.gz DCKGDNPONZFJTE-UHFFFAOYSA-N 1 1 338.452 0.993 50 0 ECAAMO CC(C)c1ccc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)c(=O)n1C ZINC000067954998 436728661 /nfs/dbraw/zinc/72/86/61/436728661.db2.gz MZTXWASPOCMHJW-KBPBESRZSA-N 1 1 332.448 0.627 50 0 ECAAMO CC(C)c1ccc(C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)c(=O)n1C ZINC000067954998 436728662 /nfs/dbraw/zinc/72/86/62/436728662.db2.gz MZTXWASPOCMHJW-KBPBESRZSA-N 1 1 332.448 0.627 50 0 ECAAMO CC(C)c1ccc(C(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)c(=O)n1C ZINC000067954998 436728665 /nfs/dbraw/zinc/72/86/65/436728665.db2.gz MZTXWASPOCMHJW-KBPBESRZSA-N 1 1 332.448 0.627 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229821714 436717429 /nfs/dbraw/zinc/71/74/29/436717429.db2.gz NOLBCJVDJKNZGO-BARDWOONSA-N 1 1 325.453 0.844 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229821714 436717433 /nfs/dbraw/zinc/71/74/33/436717433.db2.gz NOLBCJVDJKNZGO-BARDWOONSA-N 1 1 325.453 0.844 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000248856844 436812307 /nfs/dbraw/zinc/81/23/07/436812307.db2.gz ZDJHCSBLBWFWSQ-HOTGVXAUSA-N 1 1 325.453 0.768 50 0 ECAAMO C[N@@H+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000249241982 436817903 /nfs/dbraw/zinc/81/79/03/436817903.db2.gz QYBKROAEQMUHRF-UONOGXRCSA-N 1 1 330.388 0.490 50 0 ECAAMO C[N@H+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000249241982 436817906 /nfs/dbraw/zinc/81/79/06/436817906.db2.gz QYBKROAEQMUHRF-UONOGXRCSA-N 1 1 330.388 0.490 50 0 ECAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000245903068 436770031 /nfs/dbraw/zinc/77/00/31/436770031.db2.gz OFMCBJFSWNECSU-DZGCQCFKSA-N 1 1 334.420 0.403 50 0 ECAAMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(C)C ZINC000069531327 436779674 /nfs/dbraw/zinc/77/96/74/436779674.db2.gz QTTKMJYTOVQHRP-ZDUSSCGKSA-N 1 1 334.486 0.137 50 0 ECAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(C)C ZINC000069531327 436779678 /nfs/dbraw/zinc/77/96/78/436779678.db2.gz QTTKMJYTOVQHRP-ZDUSSCGKSA-N 1 1 334.486 0.137 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cnn(C)c2C)CC1=O ZINC000247980813 436799589 /nfs/dbraw/zinc/79/95/89/436799589.db2.gz HJPIYGJAOFGTJE-HOCLYGCPSA-N 1 1 347.463 0.678 50 0 ECAAMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000253416688 436843148 /nfs/dbraw/zinc/84/31/48/436843148.db2.gz XRLNGKFTMREQCN-NVXWUHKLSA-N 1 1 328.416 0.951 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)C[C@H]1CO ZINC000253414028 436843784 /nfs/dbraw/zinc/84/37/84/436843784.db2.gz WGQWTWQYZCBIQF-UONOGXRCSA-N 1 1 338.404 0.259 50 0 ECAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC)C[C@H]1CO ZINC000253414028 436843787 /nfs/dbraw/zinc/84/37/87/436843787.db2.gz WGQWTWQYZCBIQF-UONOGXRCSA-N 1 1 338.404 0.259 50 0 ECAAMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000253426259 436845549 /nfs/dbraw/zinc/84/55/49/436845549.db2.gz RRMSFWGXHBFFRR-HNNXBMFYSA-N 1 1 333.436 0.625 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000253426259 436845562 /nfs/dbraw/zinc/84/55/62/436845562.db2.gz RRMSFWGXHBFFRR-HNNXBMFYSA-N 1 1 333.436 0.625 50 0 ECAAMO C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000253430023 436845627 /nfs/dbraw/zinc/84/56/27/436845627.db2.gz HSMPYPDPADADHV-CQSZACIVSA-N 1 1 347.481 0.486 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]2C)CC1 ZINC000257366461 436876490 /nfs/dbraw/zinc/87/64/90/436876490.db2.gz ZMRCDSKEYRIUIT-CKEIUWERSA-N 1 1 336.480 0.386 50 0 ECAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000299774252 437111559 /nfs/dbraw/zinc/11/15/59/437111559.db2.gz FLIDWRBQQJHDST-UHFFFAOYSA-N 1 1 347.419 0.857 50 0 ECAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](C)C2)CC1 ZINC000334007492 437292461 /nfs/dbraw/zinc/29/24/61/437292461.db2.gz BCZJZYRRPZAXSF-HIFRSBDPSA-N 1 1 340.468 0.844 50 0 ECAAMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CCc2ccccn2)CC1=O ZINC000354129986 437537731 /nfs/dbraw/zinc/53/77/31/437537731.db2.gz HLCHQGMTGSGWDW-INIZCTEOSA-N 1 1 348.447 0.310 50 0 ECAAMO CCn1ncc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)c1C ZINC000426395135 438056611 /nfs/dbraw/zinc/05/66/11/438056611.db2.gz GKKZRPLDFCHWNC-CYBMUJFWSA-N 1 1 346.435 0.365 50 0 ECAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000534664032 439531429 /nfs/dbraw/zinc/53/14/29/439531429.db2.gz MEXDAPRQPPMWDJ-ROUUACIJSA-N 1 1 329.444 0.920 50 0 ECAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000534647864 439532246 /nfs/dbraw/zinc/53/22/46/439532246.db2.gz PUKNYPRENZRNOB-CYBMUJFWSA-N 1 1 333.392 0.818 50 0 ECAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)N2CCNC(=O)C2)C1 ZINC000534660273 439532553 /nfs/dbraw/zinc/53/25/53/439532553.db2.gz BKTHSJJDRMLILK-OAHLLOKOSA-N 1 1 330.432 0.958 50 0 ECAAMO Cc1nc2c(c(=O)[nH]1)C[N@H+](C1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC000584887803 439625012 /nfs/dbraw/zinc/62/50/12/439625012.db2.gz FRLYKOOXLQUBOJ-OAHLLOKOSA-N 1 1 332.404 0.976 50 0 ECAAMO CN(C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000229699145 535983057 /nfs/dbraw/zinc/98/30/57/535983057.db2.gz WNWAKQFVVJJWQS-TZMCWYRMSA-N 1 1 330.450 0.133 50 0 ECAAMO CN(C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000229699145 535983061 /nfs/dbraw/zinc/98/30/61/535983061.db2.gz WNWAKQFVVJJWQS-TZMCWYRMSA-N 1 1 330.450 0.133 50 0 ECAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000193067423 536368083 /nfs/dbraw/zinc/36/80/83/536368083.db2.gz ZDJHCSBLBWFWSQ-HZPDHXFCSA-N 1 1 325.453 0.768 50 0 ECAAMO CNC(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000083882313 545707761 /nfs/dbraw/zinc/70/77/61/545707761.db2.gz YTNPPSDVXPBHHV-CABCVRRESA-N 1 1 332.404 0.112 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735607 545713669 /nfs/dbraw/zinc/71/36/69/545713669.db2.gz BTNFFAKMOQCQKA-OAGGEKHMSA-N 1 1 337.464 0.957 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2cnc(-c3ccncc3)nc2)CC1 ZINC000097475636 545730834 /nfs/dbraw/zinc/73/08/34/545730834.db2.gz OEKARJUBZAUSFC-UHFFFAOYSA-N 1 1 340.431 0.906 50 0 ECAAMO CN1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@H]2C1 ZINC000244646902 545934825 /nfs/dbraw/zinc/93/48/25/545934825.db2.gz GRDZGMOMOGATLL-GOSISDBHSA-N 1 1 328.460 0.851 50 0 ECAAMO Cn1ccnc1CC[N@@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000670435229 548009238 /nfs/dbraw/zinc/00/92/38/548009238.db2.gz QSQULPGNGAVPAT-UHFFFAOYSA-N 1 1 341.481 0.311 50 0 ECAAMO Cn1ccnc1CC[N@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000670435229 548009242 /nfs/dbraw/zinc/00/92/42/548009242.db2.gz QSQULPGNGAVPAT-UHFFFAOYSA-N 1 1 341.481 0.311 50 0 ECAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1ncc(Br)cn1 ZINC000169983820 564104052 /nfs/dbraw/zinc/10/40/52/564104052.db2.gz YGABKZNGZUPPGM-LBPRGKRZSA-N 1 1 344.257 0.284 50 0 ECAAMO CC1CCC(N(C)C(=O)C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000585081549 586779229 /nfs/dbraw/zinc/77/92/29/586779229.db2.gz FXNMQUMSHWRWCH-DQPZFDDXSA-N 1 1 335.452 0.752 50 0 ECAAMO O=C(CCCn1ccnc1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244716230 608842248 /nfs/dbraw/zinc/84/22/48/608842248.db2.gz LLCWKTYKSFFYFB-IAGOWNOFSA-N 1 1 343.431 0.810 50 0 ECAAMO O=C(CCCn1ccnc1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244716230 608842254 /nfs/dbraw/zinc/84/22/54/608842254.db2.gz LLCWKTYKSFFYFB-IAGOWNOFSA-N 1 1 343.431 0.810 50 0 ECAAMO COCC1CCN(S(=O)(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)CC1 ZINC000952970401 612139423 /nfs/dbraw/zinc/13/94/23/612139423.db2.gz RRUDWFOICNRHQM-HNNXBMFYSA-N 1 1 333.498 0.863 50 0 ECAAMO O=C(C1CC1)N1CC[N@@H+](CCn2cnc3ccccc32)C[C@@H](O)C1 ZINC000097742788 219052705 /nfs/dbraw/zinc/05/27/05/219052705.db2.gz WLDRVHTWWGIWKU-OAHLLOKOSA-N 1 1 328.416 0.951 50 0 ECAAMO O=C(c1nc[nH]n1)N1CC[N@H+](C2Cc3ccccc3C2)C[C@@H](O)C1 ZINC000097743594 219053968 /nfs/dbraw/zinc/05/39/68/219053968.db2.gz ULZQVHWSMGEBSH-OAHLLOKOSA-N 1 1 327.388 0.091 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000097772982 219055898 /nfs/dbraw/zinc/05/58/98/219055898.db2.gz SSHBRGGIDMCVNG-HNNXBMFYSA-N 1 1 333.436 0.625 50 0 ECAAMO NC(=O)NC(=O)CCC[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000058355671 214558954 /nfs/dbraw/zinc/55/89/54/214558954.db2.gz YHQNELRIYAGAKN-UHFFFAOYSA-N 1 1 346.431 0.739 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000100051616 219089250 /nfs/dbraw/zinc/08/92/50/219089250.db2.gz QZESCZHYCGPVMG-INIZCTEOSA-N 1 1 347.415 0.327 50 0 ECAAMO Cc1occc1C(=O)NC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000066890820 215091526 /nfs/dbraw/zinc/09/15/26/215091526.db2.gz LGIWALNXTJYQSF-UHFFFAOYSA-N 1 1 335.404 0.641 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(CN2CCC(C)CC2)o1 ZINC000067691550 215185561 /nfs/dbraw/zinc/18/55/61/215185561.db2.gz ATZSZPTZKOVEAU-HIFRSBDPSA-N 1 1 348.447 0.799 50 0 ECAAMO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000067773779 215208967 /nfs/dbraw/zinc/20/89/67/215208967.db2.gz DTLYFFPXCSEJBY-ZDUSSCGKSA-N 1 1 339.465 0.448 50 0 ECAAMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000067773779 215208969 /nfs/dbraw/zinc/20/89/69/215208969.db2.gz DTLYFFPXCSEJBY-ZDUSSCGKSA-N 1 1 339.465 0.448 50 0 ECAAMO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C3=NNC(=O)CC3)C2)[nH]n1 ZINC000067847747 215229808 /nfs/dbraw/zinc/22/98/08/215229808.db2.gz VFKWRYAXNPWVKP-GFCCVEGCSA-N 1 1 332.408 0.312 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000069347719 215381345 /nfs/dbraw/zinc/38/13/45/215381345.db2.gz RSOMTNZFRMKVHW-MRXNPFEDSA-N 1 1 347.463 0.882 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040534303 213339062 /nfs/dbraw/zinc/33/90/62/213339062.db2.gz AXLHUNHUWMWWLI-LBPRGKRZSA-N 1 1 325.434 0.796 50 0 ECAAMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000040488219 213318037 /nfs/dbraw/zinc/31/80/37/213318037.db2.gz RTDOWSIORMQWJG-HNNXBMFYSA-N 1 1 325.434 0.428 50 0 ECAAMO CCOc1cc(C)nc(N2CCN(C(=O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000069624548 215504222 /nfs/dbraw/zinc/50/42/22/215504222.db2.gz MZZSZHOCJGOYCF-UHFFFAOYSA-N 1 1 333.436 0.927 50 0 ECAAMO C[C@H]1C[C@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@H+]1Cc1ccccc1 ZINC000185642555 235713835 /nfs/dbraw/zinc/71/38/35/235713835.db2.gz IJRYPPRTWXQBMA-HJWJTTGWSA-N 1 1 333.432 0.787 50 0 ECAAMO CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000037465099 213148004 /nfs/dbraw/zinc/14/80/04/213148004.db2.gz QXVBPWQZMNDUNQ-UHFFFAOYSA-N 1 1 338.838 0.337 50 0 ECAAMO CN(C(=O)Cn1nnnc1N)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072145864 216031660 /nfs/dbraw/zinc/03/16/60/216031660.db2.gz DAHNWTBPEBDCOF-HNNXBMFYSA-N 1 1 343.435 0.421 50 0 ECAAMO COCCn1cncc1C[NH+]1CCC2(C[C@@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072162739 216052153 /nfs/dbraw/zinc/05/21/53/216052153.db2.gz ZNNLYZMYSXOBGK-HNNXBMFYSA-N 1 1 336.436 0.900 50 0 ECAAMO O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000072173727 216063420 /nfs/dbraw/zinc/06/34/20/216063420.db2.gz OKRJIIRUOZGQPG-AWEZNQCLSA-N 1 1 343.387 0.217 50 0 ECAAMO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000072241105 216079902 /nfs/dbraw/zinc/07/99/02/216079902.db2.gz MTOJZGGXLKFGRV-MRXNPFEDSA-N 1 1 349.431 0.918 50 0 ECAAMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c1 ZINC000022932487 212336493 /nfs/dbraw/zinc/33/64/93/212336493.db2.gz VZGNPIUSZSICOA-INIZCTEOSA-N 1 1 335.448 0.441 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cccc(-n2cnnc2)c1 ZINC000216425912 241192408 /nfs/dbraw/zinc/19/24/08/241192408.db2.gz XVFKEONUPIKRQM-MRXNPFEDSA-N 1 1 329.404 0.844 50 0 ECAAMO Cc1cccc(OCc2cn(CC(=O)N3CC[NH+](C)CC3)nn2)c1 ZINC000227160664 242125863 /nfs/dbraw/zinc/12/58/63/242125863.db2.gz HBFIMYZKLOEAQH-UHFFFAOYSA-N 1 1 329.404 0.940 50 0 ECAAMO Cn1ccnc1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229264968 242155006 /nfs/dbraw/zinc/15/50/06/242155006.db2.gz YFBWMESBNHIIKV-ZBFHGGJFSA-N 1 1 341.415 0.433 50 0 ECAAMO OCCN1CC[NH+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020682954 212162352 /nfs/dbraw/zinc/16/23/52/212162352.db2.gz XCQKDFUJYKNCBV-GSBYPIHSSA-N 1 1 338.492 0.943 50 0 ECAAMO OCC[NH+]1CCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020682954 212162355 /nfs/dbraw/zinc/16/23/55/212162355.db2.gz XCQKDFUJYKNCBV-GSBYPIHSSA-N 1 1 338.492 0.943 50 0 ECAAMO O=C(CCn1c(=O)oc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020052149 212098981 /nfs/dbraw/zinc/09/89/81/212098981.db2.gz CGBGEKHKMRZRRS-UHFFFAOYSA-N 1 1 333.388 0.823 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000020052137 212098791 /nfs/dbraw/zinc/09/87/91/212098791.db2.gz VVPZRRKBVKSDTR-UHFFFAOYSA-N 1 1 343.424 0.361 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000020026858 212094554 /nfs/dbraw/zinc/09/45/54/212094554.db2.gz HDUDETVQIJZQIT-UHFFFAOYSA-N 1 1 343.424 0.756 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ccccc1Cl ZINC000019831176 212072834 /nfs/dbraw/zinc/07/28/34/212072834.db2.gz GHSDZGAZZXDBDK-UHFFFAOYSA-N 1 1 339.823 0.795 50 0 ECAAMO Cc1cccc(C)c1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019812218 212071087 /nfs/dbraw/zinc/07/10/87/212071087.db2.gz MQWXTFCVMRUBFP-UHFFFAOYSA-N 1 1 339.461 0.843 50 0 ECAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCCNC1=O ZINC000078394881 217046378 /nfs/dbraw/zinc/04/63/78/217046378.db2.gz DFSMENGFISYXDH-MRXNPFEDSA-N 1 1 346.431 0.961 50 0 ECAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H]1CCCNC1=O ZINC000078394883 217047022 /nfs/dbraw/zinc/04/70/22/217047022.db2.gz DFSMENGFISYXDH-INIZCTEOSA-N 1 1 346.431 0.961 50 0 ECAAMO C[C@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000078557445 217077544 /nfs/dbraw/zinc/07/75/44/217077544.db2.gz GYRPBTWOLCMGPT-GOEBONIOSA-N 1 1 336.480 0.339 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000091679933 218047175 /nfs/dbraw/zinc/04/71/75/218047175.db2.gz IMDBIFBXZCZICQ-ZDUSSCGKSA-N 1 1 349.406 0.750 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000091645141 218038402 /nfs/dbraw/zinc/03/84/02/218038402.db2.gz FMQHDJHMMCPTCF-CQSZACIVSA-N 1 1 333.432 0.921 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000091645141 218038404 /nfs/dbraw/zinc/03/84/04/218038404.db2.gz FMQHDJHMMCPTCF-CQSZACIVSA-N 1 1 333.432 0.921 50 0 ECAAMO COc1ccccc1OC1CN(C(=O)C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000091645141 218038405 /nfs/dbraw/zinc/03/84/05/218038405.db2.gz FMQHDJHMMCPTCF-CQSZACIVSA-N 1 1 333.432 0.921 50 0 ECAAMO CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1[NH2+]CCc3nc[nH]c31)CC2 ZINC000091678199 218045506 /nfs/dbraw/zinc/04/55/06/218045506.db2.gz LMCWGSAAZSQTFF-MRXNPFEDSA-N 1 1 345.447 0.848 50 0 ECAAMO CCC[C@H]1C[N@@H+](CCO)C[C@@H]1NS(=O)(=O)N1CCCCCC1 ZINC000091745698 218057081 /nfs/dbraw/zinc/05/70/81/218057081.db2.gz KTFHJWQIUHZCBI-GJZGRUSLSA-N 1 1 333.498 0.790 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC(C)(C)[C@](C)(O)C1 ZINC000091779177 218064556 /nfs/dbraw/zinc/06/45/56/218064556.db2.gz GRPJYFCVWXDXNF-GOSISDBHSA-N 1 1 347.463 0.770 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@@H]1CO ZINC000091974171 218096727 /nfs/dbraw/zinc/09/67/27/218096727.db2.gz HUSLEHSXAKZEMF-QZTJIDSGSA-N 1 1 332.444 0.780 50 0 ECAAMO CCCS(=O)(=O)N[C@H]1CN(c2cc(N)[nH+]cn2)C[C@@H]1C1CC1 ZINC000092045789 218110468 /nfs/dbraw/zinc/11/04/68/218110468.db2.gz OBTZFWJLPVBSBW-NEPJUHHUSA-N 1 1 325.438 0.603 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(c3nccc(-c4ccccn4)n3)C[C@@H]2O)CC1 ZINC000097575155 219036218 /nfs/dbraw/zinc/03/62/18/219036218.db2.gz HFJAJGHZGKZZMB-IRXDYDNUSA-N 1 1 340.431 0.336 50 0 ECAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000334159569 258004454 /nfs/dbraw/zinc/00/44/54/258004454.db2.gz AAKWNGGVYHIOLH-STQMWFEESA-N 1 1 333.392 0.168 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ccncn2)CC1 ZINC000299767078 258081463 /nfs/dbraw/zinc/08/14/63/258081463.db2.gz DOBFYUFLNMBFQN-MRXNPFEDSA-N 1 1 345.447 0.782 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ccncn2)CC1 ZINC000299767078 258081464 /nfs/dbraw/zinc/08/14/64/258081464.db2.gz DOBFYUFLNMBFQN-MRXNPFEDSA-N 1 1 345.447 0.782 50 0 ECAAMO CC[C@@](C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000041406232 287387602 /nfs/dbraw/zinc/38/76/02/287387602.db2.gz VQYGJVYDARQQIQ-HIFRSBDPSA-N 1 1 347.481 0.028 50 0 ECAAMO C[NH+]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 ZINC000022768917 277091146 /nfs/dbraw/zinc/09/11/46/277091146.db2.gz VHPUQWNWPRMAMJ-LBPRGKRZSA-N 1 1 348.472 0.933 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096116309 279308734 /nfs/dbraw/zinc/30/87/34/279308734.db2.gz YZXYDZWYDCECLP-DOMZBBRYSA-N 1 1 344.415 0.728 50 0 ECAAMO CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000332276282 297025169 /nfs/dbraw/zinc/02/51/69/297025169.db2.gz DJSSZIAQGVCUFT-LVQVYYBASA-N 1 1 341.452 0.400 50 0 ECAAMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000344606656 298042063 /nfs/dbraw/zinc/04/20/63/298042063.db2.gz PWSUZPZXWKBXTN-SOUVJXGZSA-N 1 1 337.420 0.100 50 0 ECAAMO O=C1CCCN1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000069770633 435964081 /nfs/dbraw/zinc/96/40/81/435964081.db2.gz SNJNMMPPPLUNSB-QGZVFWFLSA-N 1 1 347.459 0.666 50 0 ECAAMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000069775574 435966648 /nfs/dbraw/zinc/96/66/48/435966648.db2.gz MGBSTKGTVARWCD-CQSZACIVSA-N 1 1 348.451 0.859 50 0 ECAAMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000069775574 435966650 /nfs/dbraw/zinc/96/66/50/435966650.db2.gz MGBSTKGTVARWCD-CQSZACIVSA-N 1 1 348.451 0.859 50 0 ECAAMO CC(C)CNC(=O)[C@@H](C)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000069811225 435966906 /nfs/dbraw/zinc/96/69/06/435966906.db2.gz YBMHTJHZNMHSEC-OAHLLOKOSA-N 1 1 338.496 0.953 50 0 ECAAMO COc1cccc(S(=O)(=O)CCN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000069841343 435967748 /nfs/dbraw/zinc/96/77/48/435967748.db2.gz GUBJLJIYZPKUPM-OAHLLOKOSA-N 1 1 342.461 0.731 50 0 ECAAMO COc1ccnc(N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)n1 ZINC000069816139 435969043 /nfs/dbraw/zinc/96/90/43/435969043.db2.gz RMSHLIAIELPAFH-CQSZACIVSA-N 1 1 348.403 0.778 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069870864 435971568 /nfs/dbraw/zinc/97/15/68/435971568.db2.gz WVKOWKMVSALZLI-ZBFHGGJFSA-N 1 1 348.451 0.069 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000069976695 435978821 /nfs/dbraw/zinc/97/88/21/435978821.db2.gz AEJNCLOLRXWUGS-STQMWFEESA-N 1 1 337.386 0.834 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000070007741 435982268 /nfs/dbraw/zinc/98/22/68/435982268.db2.gz OUXRGNQOWKRMBA-GFCCVEGCSA-N 1 1 337.386 0.786 50 0 ECAAMO O[C@@H](COCc1cccs1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020853 435984365 /nfs/dbraw/zinc/98/43/65/435984365.db2.gz JTLSVVKRFUAXNB-KGLIPLIRSA-N 1 1 338.433 0.618 50 0 ECAAMO O[C@@H](COCc1cccs1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020853 435984369 /nfs/dbraw/zinc/98/43/69/435984369.db2.gz JTLSVVKRFUAXNB-KGLIPLIRSA-N 1 1 338.433 0.618 50 0 ECAAMO Cn1ccnc1CN1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000069657790 435957685 /nfs/dbraw/zinc/95/76/85/435957685.db2.gz QWIQRQYWKZUIOZ-HNNXBMFYSA-N 1 1 334.420 0.708 50 0 ECAAMO Cc1csc(N2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)CC2)n1 ZINC000071824900 436013762 /nfs/dbraw/zinc/01/37/62/436013762.db2.gz ANKCHJLVDFBSNG-UHFFFAOYSA-N 1 1 349.460 0.561 50 0 ECAAMO C[N@@H+](CC(=O)Nc1nncs1)C[C@H]1CCCN1c1cccnn1 ZINC000071860042 436020042 /nfs/dbraw/zinc/02/00/42/436020042.db2.gz AOHGPSYJURHKHB-LLVKDONJSA-N 1 1 333.421 0.867 50 0 ECAAMO C[N@H+](CC(=O)Nc1nncs1)C[C@H]1CCCN1c1cccnn1 ZINC000071860042 436020048 /nfs/dbraw/zinc/02/00/48/436020048.db2.gz AOHGPSYJURHKHB-LLVKDONJSA-N 1 1 333.421 0.867 50 0 ECAAMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000071876141 436020330 /nfs/dbraw/zinc/02/03/30/436020330.db2.gz DJOMPVOBXGRKGV-HZPDHXFCSA-N 1 1 334.468 0.685 50 0 ECAAMO Cc1nc(CN2CCC[C@H]([N@@H+](C)C[C@H](O)Cn3cccn3)C2)no1 ZINC000071877565 436024669 /nfs/dbraw/zinc/02/46/69/436024669.db2.gz VHTSILFSNQGVLS-GJZGRUSLSA-N 1 1 334.424 0.532 50 0 ECAAMO O=C(CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC000072274038 436038857 /nfs/dbraw/zinc/03/88/57/436038857.db2.gz MJYYLNYARHSQBL-HUUCEWRRSA-N 1 1 338.452 0.598 50 0 ECAAMO C[C@@]1([C@@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)NC(=O)NC1=O ZINC000072300754 436041723 /nfs/dbraw/zinc/04/17/23/436041723.db2.gz XZAMPZOTPNOSNE-DYVFJYSZSA-N 1 1 336.436 0.699 50 0 ECAAMO C[C@@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000072290751 436042722 /nfs/dbraw/zinc/04/27/22/436042722.db2.gz AFBKMQQKKQIQTL-KPZWWZAWSA-N 1 1 342.399 0.244 50 0 ECAAMO C[C@@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000072290751 436042726 /nfs/dbraw/zinc/04/27/26/436042726.db2.gz AFBKMQQKKQIQTL-KPZWWZAWSA-N 1 1 342.399 0.244 50 0 ECAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178461 436100485 /nfs/dbraw/zinc/10/04/85/436100485.db2.gz DFFNNRKRYHJJIM-MRXNPFEDSA-N 1 1 331.416 0.845 50 0 ECAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178461 436100493 /nfs/dbraw/zinc/10/04/93/436100493.db2.gz DFFNNRKRYHJJIM-MRXNPFEDSA-N 1 1 331.416 0.845 50 0 ECAAMO CCCC[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000023991654 436129064 /nfs/dbraw/zinc/12/90/64/436129064.db2.gz HDJZLGZJFVTTGL-UHFFFAOYSA-N 1 1 327.450 0.725 50 0 ECAAMO CCC(CC)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 ZINC000022899073 436121610 /nfs/dbraw/zinc/12/16/10/436121610.db2.gz HKJTYBXJVRZYJI-OAHLLOKOSA-N 1 1 338.452 0.848 50 0 ECAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000025912019 436155498 /nfs/dbraw/zinc/15/54/98/436155498.db2.gz XSIUORDLBLSJKF-UHFFFAOYSA-N 1 1 348.403 0.888 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000076047322 436184250 /nfs/dbraw/zinc/18/42/50/436184250.db2.gz GBFHMIDHDLKMQN-TZMCWYRMSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000076047322 436184255 /nfs/dbraw/zinc/18/42/55/436184255.db2.gz GBFHMIDHDLKMQN-TZMCWYRMSA-N 1 1 337.424 0.131 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2c2cccn2C)cn1 ZINC000076091254 436192636 /nfs/dbraw/zinc/19/26/36/436192636.db2.gz RYYGLJVKRMIIQH-OAHLLOKOSA-N 1 1 337.449 0.874 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2c2cccn2C)cn1 ZINC000076091254 436192640 /nfs/dbraw/zinc/19/26/40/436192640.db2.gz RYYGLJVKRMIIQH-OAHLLOKOSA-N 1 1 337.449 0.874 50 0 ECAAMO Cc1nnc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000040526519 436267168 /nfs/dbraw/zinc/26/71/68/436267168.db2.gz KNWMVVSIQHBPMU-VXGBXAGGSA-N 1 1 341.437 0.705 50 0 ECAAMO CCN(C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044937974 436353540 /nfs/dbraw/zinc/35/35/40/436353540.db2.gz VVQVGXDSOBGTHR-DZGCQCFKSA-N 1 1 344.477 0.523 50 0 ECAAMO CCN(C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044937974 436353543 /nfs/dbraw/zinc/35/35/43/436353543.db2.gz VVQVGXDSOBGTHR-DZGCQCFKSA-N 1 1 344.477 0.523 50 0 ECAAMO C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(F)c1 ZINC000043303265 436329207 /nfs/dbraw/zinc/32/92/07/436329207.db2.gz YKLHXVSSHZVPNG-ZJUUUORDSA-N 1 1 348.378 0.727 50 0 ECAAMO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](CCn3cncn3)C2)o1 ZINC000083827837 436377707 /nfs/dbraw/zinc/37/77/07/436377707.db2.gz FROXLHBMOKMNDC-AWEZNQCLSA-N 1 1 332.408 0.952 50 0 ECAAMO CC[C@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1[NH+]1CCOCC1 ZINC000084735914 436383539 /nfs/dbraw/zinc/38/35/39/436383539.db2.gz NTTOAHSAIXTJQM-UONOGXRCSA-N 1 1 344.419 0.236 50 0 ECAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000046860847 436402237 /nfs/dbraw/zinc/40/22/37/436402237.db2.gz XIYIUVRLJWQGPU-ZDUSSCGKSA-N 1 1 331.482 0.649 50 0 ECAAMO CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091269585 436448180 /nfs/dbraw/zinc/44/81/80/436448180.db2.gz XIZWEAMDVCYAKT-QKPAOTATSA-N 1 1 349.479 0.981 50 0 ECAAMO COCCN(CCOC)S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048333309 436449528 /nfs/dbraw/zinc/44/95/28/436449528.db2.gz IEKABXQQCKAINR-ZIAGYGMSSA-N 1 1 335.470 0.042 50 0 ECAAMO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cc1 ZINC000091461736 436450254 /nfs/dbraw/zinc/45/02/54/436450254.db2.gz BBMVSTMCLUZZHH-HZPDHXFCSA-N 1 1 335.448 0.357 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)COc3ccccc3)C[C@@H]2CO)CC1 ZINC000091586038 436454574 /nfs/dbraw/zinc/45/45/74/436454574.db2.gz OPAFDKCLJXSHDD-IAGOWNOFSA-N 1 1 347.459 0.380 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000089938119 436422408 /nfs/dbraw/zinc/42/24/08/436422408.db2.gz LUSVCJCBPOVMML-JTQLQIEISA-N 1 1 328.210 0.773 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc(Br)ccc1=O ZINC000089938119 436422411 /nfs/dbraw/zinc/42/24/11/436422411.db2.gz LUSVCJCBPOVMML-JTQLQIEISA-N 1 1 328.210 0.773 50 0 ECAAMO CC1(C)OC(=O)N(CC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1=O ZINC000095506246 436497481 /nfs/dbraw/zinc/49/74/81/436497481.db2.gz CMCUCQYJTRGEIW-CYBMUJFWSA-N 1 1 331.372 0.917 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n[nH]1 ZINC000095961705 436501841 /nfs/dbraw/zinc/50/18/41/436501841.db2.gz BPSWEAYXCTUVJW-LBPRGKRZSA-N 1 1 342.403 0.399 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n[nH]1 ZINC000095961705 436501845 /nfs/dbraw/zinc/50/18/45/436501845.db2.gz BPSWEAYXCTUVJW-LBPRGKRZSA-N 1 1 342.403 0.399 50 0 ECAAMO CC(=O)N1CCN(CCCCCC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000096404245 436530960 /nfs/dbraw/zinc/53/09/60/436530960.db2.gz MGKRDECBXANXRH-UHFFFAOYSA-N 1 1 338.496 0.875 50 0 ECAAMO CC(=O)c1cn(Cc2[nH+]ccn2CC(F)(F)F)c(=O)n(C)c1=O ZINC000096472024 436531685 /nfs/dbraw/zinc/53/16/85/436531685.db2.gz QWUVGNVKBPZYPO-UHFFFAOYSA-N 1 1 330.266 0.557 50 0 ECAAMO CC(C)Nc1cc[nH+]c(N2CCN(C(=O)C3(CO)CC3)C[C@H](O)C2)n1 ZINC000097604083 436544187 /nfs/dbraw/zinc/54/41/87/436544187.db2.gz JKOCRVBXXCHQRU-ZDUSSCGKSA-N 1 1 349.435 0.079 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000106666374 436599919 /nfs/dbraw/zinc/59/99/19/436599919.db2.gz MJHZULBFVYSWDQ-IKGGRYGDSA-N 1 1 339.436 0.449 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000106666374 436599921 /nfs/dbraw/zinc/59/99/21/436599921.db2.gz MJHZULBFVYSWDQ-IKGGRYGDSA-N 1 1 339.436 0.449 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@H]2C)CC1 ZINC000107141935 436607816 /nfs/dbraw/zinc/60/78/16/436607816.db2.gz XGHKHOOJWCLGMF-WMLDXEAASA-N 1 1 336.480 0.530 50 0 ECAAMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 ZINC000108757606 436620908 /nfs/dbraw/zinc/62/09/08/436620908.db2.gz YTOVGTMJILNVNM-INIZCTEOSA-N 1 1 337.464 0.816 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N1CC[NH+](C2CC2)CC1 ZINC000062639993 436641218 /nfs/dbraw/zinc/64/12/18/436641218.db2.gz DKJBEEQIQZNNJU-UHFFFAOYSA-N 1 1 327.388 0.488 50 0 ECAAMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCO2 ZINC000064345376 436648487 /nfs/dbraw/zinc/64/84/87/436648487.db2.gz DBWGHKJBAFXLNT-KBPBESRZSA-N 1 1 338.429 0.763 50 0 ECAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000223536597 436707033 /nfs/dbraw/zinc/70/70/33/436707033.db2.gz WWBZPSRWZVTLNZ-CYBMUJFWSA-N 1 1 331.420 0.498 50 0 ECAAMO CN(CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[N@H+](C)C1 ZINC000223536597 436707036 /nfs/dbraw/zinc/70/70/36/436707036.db2.gz WWBZPSRWZVTLNZ-CYBMUJFWSA-N 1 1 331.420 0.498 50 0 ECAAMO CN(CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000223536597 436707038 /nfs/dbraw/zinc/70/70/38/436707038.db2.gz WWBZPSRWZVTLNZ-CYBMUJFWSA-N 1 1 331.420 0.498 50 0 ECAAMO Nc1cc(N2CC[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H](O)C2)ncn1 ZINC000225339873 436710744 /nfs/dbraw/zinc/71/07/44/436710744.db2.gz RXYOVGDDLBNUNI-HNNXBMFYSA-N 1 1 341.415 0.677 50 0 ECAAMO C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000065446795 436662153 /nfs/dbraw/zinc/66/21/53/436662153.db2.gz YUEIVQIDEGYQAA-LBPRGKRZSA-N 1 1 340.449 0.742 50 0 ECAAMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000065553333 436666639 /nfs/dbraw/zinc/66/66/39/436666639.db2.gz PJECGKLAOLVKQP-WMZOPIPTSA-N 1 1 349.475 0.910 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2nnc3n2CCC3)C1 ZINC000065564837 436668488 /nfs/dbraw/zinc/66/84/88/436668488.db2.gz RXJZRAVKMGDYTC-CYBMUJFWSA-N 1 1 336.440 0.380 50 0 ECAAMO C[C@H](CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000241720821 436759914 /nfs/dbraw/zinc/75/99/14/436759914.db2.gz QSMRKAMVFNOAAV-ZIAGYGMSSA-N 1 1 331.482 0.935 50 0 ECAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000230477120 436716244 /nfs/dbraw/zinc/71/62/44/436716244.db2.gz HWEGKPQSVKSYDZ-KFWWJZLASA-N 1 1 326.485 0.956 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000229915255 436717133 /nfs/dbraw/zinc/71/71/33/436717133.db2.gz LGAKRHVQENBEHS-JKSUJKDBSA-N 1 1 347.467 0.370 50 0 ECAAMO C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000126433170 436787637 /nfs/dbraw/zinc/78/76/37/436787637.db2.gz FGRDKBYTZGSZEF-NSHDSACASA-N 1 1 328.372 0.491 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000247708976 436796808 /nfs/dbraw/zinc/79/68/08/436796808.db2.gz HKHWKVOVNGZMRW-CABCVRRESA-N 1 1 329.400 0.554 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC000252474464 436832098 /nfs/dbraw/zinc/83/20/98/436832098.db2.gz FLERNHANGZEVSC-HRCADAONSA-N 1 1 328.453 0.876 50 0 ECAAMO COCCN1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC000252492423 436833145 /nfs/dbraw/zinc/83/31/45/436833145.db2.gz MLVOPZYAQNBSSS-CYBMUJFWSA-N 1 1 326.441 0.565 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000252500593 436836345 /nfs/dbraw/zinc/83/63/45/436836345.db2.gz SYQWHEDSNUIDJC-INWMFGNUSA-N 1 1 331.416 0.519 50 0 ECAAMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365004 436876376 /nfs/dbraw/zinc/87/63/76/436876376.db2.gz DJOMPVOBXGRKGV-CVEARBPZSA-N 1 1 334.468 0.685 50 0 ECAAMO CSCC[NH+]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000299764127 437109846 /nfs/dbraw/zinc/10/98/46/437109846.db2.gz TWCJDJOHJANHJJ-UHFFFAOYSA-N 1 1 326.422 0.246 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O ZINC000179909948 437278213 /nfs/dbraw/zinc/27/82/13/437278213.db2.gz HJPIYGJAOFGTJE-ZBFHGGJFSA-N 1 1 347.463 0.678 50 0 ECAAMO O=C(NCCOc1ccccc1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426510641 438061918 /nfs/dbraw/zinc/06/19/18/438061918.db2.gz ODKZEKXHJAVXEV-IRXDYDNUSA-N 1 1 349.431 0.542 50 0 ECAAMO O=C(NCCOc1ccccc1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000426510641 438061921 /nfs/dbraw/zinc/06/19/21/438061921.db2.gz ODKZEKXHJAVXEV-IRXDYDNUSA-N 1 1 349.431 0.542 50 0 ECAAMO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426628299 438069401 /nfs/dbraw/zinc/06/94/01/438069401.db2.gz OMBHWCIQZTWZQD-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO Cc1cc(F)ccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426628299 438069404 /nfs/dbraw/zinc/06/94/04/438069404.db2.gz OMBHWCIQZTWZQD-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C1CC1 ZINC000585131918 439633540 /nfs/dbraw/zinc/63/35/40/439633540.db2.gz KARAXZTZBDIJGY-MNOVXSKESA-N 1 1 342.383 0.810 50 0 ECAAMO C[C@H](c1ccccc1)[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(N)=O ZINC000646550345 441073507 /nfs/dbraw/zinc/07/35/07/441073507.db2.gz FRUHGKTYFGXPJJ-BMFZPTHFSA-N 1 1 330.432 0.150 50 0 ECAAMO OCC[NH+]1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 ZINC000020500445 534974261 /nfs/dbraw/zinc/97/42/61/534974261.db2.gz OGQPHHOEISIOSG-UHFFFAOYSA-N 1 1 347.423 0.508 50 0 ECAAMO COCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082120490 545706309 /nfs/dbraw/zinc/70/63/09/545706309.db2.gz CHOJBNKVGGCLLK-INIZCTEOSA-N 1 1 339.480 0.668 50 0 ECAAMO CCCn1nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)ccc1=O ZINC000084759105 545713462 /nfs/dbraw/zinc/71/34/62/545713462.db2.gz RIWODYNTBYPFIF-HOCLYGCPSA-N 1 1 348.447 0.836 50 0 ECAAMO Cn1c(C[NH2+][C@@H]2CCc3cc(F)ccc32)nc2c1c(=O)[nH]c(=O)n2C ZINC000170085168 545864208 /nfs/dbraw/zinc/86/42/08/545864208.db2.gz DXTCVFOLPZKFJP-GFCCVEGCSA-N 1 1 343.362 0.877 50 0 ECAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000670452742 548014291 /nfs/dbraw/zinc/01/42/91/548014291.db2.gz GLHPMLHWJTZDAN-INIZCTEOSA-N 1 1 341.477 0.800 50 0 ECAAMO O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000888096958 586349801 /nfs/dbraw/zinc/34/98/01/586349801.db2.gz XNBJXOZOESHUKT-CVEARBPZSA-N 1 1 331.416 0.533 50 0 ECAAMO O=C1NCC[N@H+]2CC3(C[C@@H]12)CCN(S(=O)(=O)c1ccccc1)CC3 ZINC000169787710 609746549 /nfs/dbraw/zinc/74/65/49/609746549.db2.gz JHOXDDXWMIHKMH-HNNXBMFYSA-N 1 1 349.456 0.662 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@](CO)(CC3CC3)C2)C1 ZINC000952966961 612138738 /nfs/dbraw/zinc/13/87/38/612138738.db2.gz GDXNONGMSMIBLO-MAUKXSAKSA-N 1 1 337.464 0.585 50 0 ECAAMO COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000952988199 612140234 /nfs/dbraw/zinc/14/02/34/612140234.db2.gz PVCLSPFTKBRNKE-GFCCVEGCSA-N 1 1 345.407 0.245 50 0 ECAAMO CN(C)C(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccn2C)CC1 ZINC000257175592 740547112 /nfs/dbraw/zinc/54/71/12/740547112.db2.gz PVPURGUUPSVYCM-SJORKVTESA-N 1 1 334.464 0.513 50 0 ECAAMO CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C1CC[NH+](Cc2cccn2C)CC1 ZINC000257175592 740547114 /nfs/dbraw/zinc/54/71/14/740547114.db2.gz PVPURGUUPSVYCM-SJORKVTESA-N 1 1 334.464 0.513 50 0 ECAAMO Cc1[nH+]ccn1CCCNC(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000426398023 752883086 /nfs/dbraw/zinc/88/30/86/752883086.db2.gz HKUWLUBEVWYZFT-UHFFFAOYSA-N 1 1 332.412 0.227 50 0 ECAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OC)cc3OC)C[C@H]2C1=O ZINC000169751583 759382753 /nfs/dbraw/zinc/38/27/53/759382753.db2.gz QHLDOERVYXRIQK-GASCZTMLSA-N 1 1 348.399 0.767 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051210756 214083817 /nfs/dbraw/zinc/08/38/17/214083817.db2.gz MCMZBMDBFURBQF-KRWDZBQOSA-N 1 1 346.475 0.239 50 0 ECAAMO O=C(C1CC1)N1CC[N@@H+](CCn2cnc3ccccc32)C[C@H](O)C1 ZINC000097742789 219052722 /nfs/dbraw/zinc/05/27/22/219052722.db2.gz WLDRVHTWWGIWKU-HNNXBMFYSA-N 1 1 328.416 0.951 50 0 ECAAMO CCOc1ncccc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067489683 215152698 /nfs/dbraw/zinc/15/26/98/215152698.db2.gz WSEXLYBZNLFPPJ-UHFFFAOYSA-N 1 1 346.431 0.907 50 0 ECAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067851495 215231989 /nfs/dbraw/zinc/23/19/89/215231989.db2.gz VOQHWEBAOVCYSL-UHFFFAOYSA-N 1 1 325.328 0.487 50 0 ECAAMO Nc1nnnn1CC(=O)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000067895946 215244531 /nfs/dbraw/zinc/24/45/31/215244531.db2.gz QRFDPTBGIQICCB-UHFFFAOYSA-N 1 1 333.371 0.129 50 0 ECAAMO Nc1nnnn1CC(=O)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000067895946 215244532 /nfs/dbraw/zinc/24/45/32/215244532.db2.gz QRFDPTBGIQICCB-UHFFFAOYSA-N 1 1 333.371 0.129 50 0 ECAAMO CC[C@](C)(CNC(=O)c1ccccc1-n1cnnn1)[NH+]1CCOCC1 ZINC000040539000 213342803 /nfs/dbraw/zinc/34/28/03/213342803.db2.gz OIROAGKGDXZJSJ-QGZVFWFLSA-N 1 1 344.419 0.893 50 0 ECAAMO CCC[N@H+](C[C@H](O)CN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089958858 283283396 /nfs/dbraw/zinc/28/33/96/283283396.db2.gz MRECTLVGAAMHGD-HZPDHXFCSA-N 1 1 332.510 0.978 50 0 ECAAMO CCC[N@@H+](C[C@H](O)CN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089958858 283283397 /nfs/dbraw/zinc/28/33/97/283283397.db2.gz MRECTLVGAAMHGD-HZPDHXFCSA-N 1 1 332.510 0.978 50 0 ECAAMO CCc1nc(N2CC[NH2+][C@H](C(=O)NCc3ccncc3)C2)ncc1C ZINC000072134561 216023882 /nfs/dbraw/zinc/02/38/82/216023882.db2.gz XUHLFPBTDPPWDW-INIZCTEOSA-N 1 1 340.431 0.837 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1cnc2ccccn12 ZINC000072146575 216034291 /nfs/dbraw/zinc/03/42/91/216034291.db2.gz MOIXTUCWXBRPTN-OAHLLOKOSA-N 1 1 343.431 0.592 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1cnc2ccccn12 ZINC000072146575 216034293 /nfs/dbraw/zinc/03/42/93/216034293.db2.gz MOIXTUCWXBRPTN-OAHLLOKOSA-N 1 1 343.431 0.592 50 0 ECAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCO ZINC000072147433 216035508 /nfs/dbraw/zinc/03/55/08/216035508.db2.gz FCINRCNOYWSPMN-QGZVFWFLSA-N 1 1 341.411 0.639 50 0 ECAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCO ZINC000072147433 216035511 /nfs/dbraw/zinc/03/55/11/216035511.db2.gz FCINRCNOYWSPMN-QGZVFWFLSA-N 1 1 341.411 0.639 50 0 ECAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c(=O)n1C ZINC000072165428 216054808 /nfs/dbraw/zinc/05/48/08/216054808.db2.gz POGKXGLVGIYHHR-OAHLLOKOSA-N 1 1 333.432 0.755 50 0 ECAAMO CC(C)Oc1ccc2nnc(CCC(=O)N3CC[NH+](C)CC3)n2n1 ZINC000072405203 216196235 /nfs/dbraw/zinc/19/62/35/216196235.db2.gz VGEWUCAJCXBPFI-UHFFFAOYSA-N 1 1 332.408 0.618 50 0 ECAAMO O=C(c1cccc(-n2cnnn2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023702622 212391636 /nfs/dbraw/zinc/39/16/36/212391636.db2.gz XMKRZSOZLKTBJE-INIZCTEOSA-N 1 1 342.403 0.599 50 0 ECAAMO COc1ccc(C[NH+]2CCN(Cc3nc(N)nc(N)n3)CC2)cc1 ZINC000022935093 212338281 /nfs/dbraw/zinc/33/82/81/212338281.db2.gz GMCSUSJSMYTHGU-UHFFFAOYSA-N 1 1 329.408 0.362 50 0 ECAAMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000218798277 241346321 /nfs/dbraw/zinc/34/63/21/241346321.db2.gz QRIICUHIECNFEC-ZDUSSCGKSA-N 1 1 340.449 0.054 50 0 ECAAMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000218798277 241346328 /nfs/dbraw/zinc/34/63/28/241346328.db2.gz QRIICUHIECNFEC-ZDUSSCGKSA-N 1 1 340.449 0.054 50 0 ECAAMO NC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000229526598 242171639 /nfs/dbraw/zinc/17/16/39/242171639.db2.gz LFKHKLAPOWFWFY-UKRRQHHQSA-N 1 1 335.379 0.533 50 0 ECAAMO Cc1cnc(C)c(N2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)n1 ZINC000244701229 243060553 /nfs/dbraw/zinc/06/05/53/243060553.db2.gz KCLWQFKMZVEEAR-UHFFFAOYSA-N 1 1 341.481 0.497 50 0 ECAAMO Cc1ccccc1OC[C@@H](O)C(=O)NCC1(C[NH+]2CCOCC2)CC1 ZINC000244605514 243043347 /nfs/dbraw/zinc/04/33/47/243043347.db2.gz DZWFAWNRXLDNFK-MRXNPFEDSA-N 1 1 348.443 0.963 50 0 ECAAMO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000020680712 212161142 /nfs/dbraw/zinc/16/11/42/212161142.db2.gz JYFWGDBMZRPDLO-LBPRGKRZSA-N 1 1 325.434 0.682 50 0 ECAAMO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[NH+]1CCOCC1)O2 ZINC000020379776 212125035 /nfs/dbraw/zinc/12/50/35/212125035.db2.gz MHFPFVKRFIYKRX-INIZCTEOSA-N 1 1 347.415 0.923 50 0 ECAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000019905440 212082082 /nfs/dbraw/zinc/08/20/82/212082082.db2.gz CXNAPLSCJOPUOR-UHFFFAOYSA-N 1 1 341.433 0.235 50 0 ECAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1F ZINC000019814860 212072114 /nfs/dbraw/zinc/07/21/14/212072114.db2.gz QBJRABMOPULTHF-CYBMUJFWSA-N 1 1 349.362 0.664 50 0 ECAAMO CC(C)CCCn1cnc2c1c(=O)[nH]c(N1CC[NH+](C)CC1)nc2=O ZINC000019145557 212001396 /nfs/dbraw/zinc/00/13/96/212001396.db2.gz GGARJTYUPVLWQX-UHFFFAOYSA-N 1 1 346.435 0.668 50 0 ECAAMO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 ZINC000012307054 211341137 /nfs/dbraw/zinc/34/11/37/211341137.db2.gz WHHOLGWWTLHZOT-MRXNPFEDSA-N 1 1 336.461 0.842 50 0 ECAAMO CCN(CC)C(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)nn1 ZINC000011998695 211278054 /nfs/dbraw/zinc/27/80/54/211278054.db2.gz NOHQEFVDTKUCAG-CYBMUJFWSA-N 1 1 336.440 0.361 50 0 ECAAMO COCc1ncc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091411999 218002512 /nfs/dbraw/zinc/00/25/12/218002512.db2.gz PJGRSGPSDSHPEV-SFHVURJKSA-N 1 1 347.463 0.752 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@]12CCNC(=O)CC2 ZINC000091603087 218030405 /nfs/dbraw/zinc/03/04/05/218030405.db2.gz UAPWWZWQXFSLFK-GOSISDBHSA-N 1 1 345.447 0.715 50 0 ECAAMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cs1 ZINC000091695251 218050436 /nfs/dbraw/zinc/05/04/36/218050436.db2.gz MJGFSFJSZHOEIG-OAHLLOKOSA-N 1 1 337.449 0.611 50 0 ECAAMO Cc1nc(C)c(C)c(N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)n1 ZINC000091663921 218042856 /nfs/dbraw/zinc/04/28/56/218042856.db2.gz QUUOXHNTSQKZCO-IAGOWNOFSA-N 1 1 335.496 0.940 50 0 ECAAMO Cc1nc(C)c(C)c(N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)n1 ZINC000091663921 218042859 /nfs/dbraw/zinc/04/28/59/218042859.db2.gz QUUOXHNTSQKZCO-IAGOWNOFSA-N 1 1 335.496 0.940 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1CO ZINC000091914644 218088443 /nfs/dbraw/zinc/08/84/43/218088443.db2.gz RDGRVPLQZQRSSI-HUUCEWRRSA-N 1 1 336.436 0.352 50 0 ECAAMO CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@H+](CCOC)C3)cn1 ZINC000091846436 218076433 /nfs/dbraw/zinc/07/64/33/218076433.db2.gz NQACXSARNJCYJX-ZIAGYGMSSA-N 1 1 342.465 0.634 50 0 ECAAMO CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](CCOC)C3)cn1 ZINC000091846436 218076436 /nfs/dbraw/zinc/07/64/36/218076436.db2.gz NQACXSARNJCYJX-ZIAGYGMSSA-N 1 1 342.465 0.634 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@@H]1CO ZINC000091915429 218087920 /nfs/dbraw/zinc/08/79/20/218087920.db2.gz HMOVOUFLYLFRNA-ZIAGYGMSSA-N 1 1 341.477 0.639 50 0 ECAAMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000091966120 218095535 /nfs/dbraw/zinc/09/55/35/218095535.db2.gz IAFSPRQDTLDNSZ-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000091966120 218095538 /nfs/dbraw/zinc/09/55/38/218095538.db2.gz IAFSPRQDTLDNSZ-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000091966122 218096085 /nfs/dbraw/zinc/09/60/85/218096085.db2.gz IAFSPRQDTLDNSZ-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000091966122 218096087 /nfs/dbraw/zinc/09/60/87/218096087.db2.gz IAFSPRQDTLDNSZ-AWEZNQCLSA-N 1 1 345.403 0.104 50 0 ECAAMO CCCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)cn1 ZINC000092066731 218114101 /nfs/dbraw/zinc/11/41/01/218114101.db2.gz UMVSPBXRXYGXPY-CABCVRRESA-N 1 1 342.465 0.274 50 0 ECAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)[nH]1 ZINC000092077742 218115806 /nfs/dbraw/zinc/11/58/06/218115806.db2.gz JMSCCOYMVIRNNW-UONOGXRCSA-N 1 1 348.451 0.057 50 0 ECAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)[nH]1 ZINC000092077742 218115808 /nfs/dbraw/zinc/11/58/08/218115808.db2.gz JMSCCOYMVIRNNW-UONOGXRCSA-N 1 1 348.451 0.057 50 0 ECAAMO CN(C)C(=O)c1ccc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)nc1 ZINC000092098197 218118404 /nfs/dbraw/zinc/11/84/04/218118404.db2.gz JKEUQCOPGSHKBB-SFHVURJKSA-N 1 1 345.447 0.574 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2CO)CC1 ZINC000092062204 218111436 /nfs/dbraw/zinc/11/14/36/218111436.db2.gz DLQKOLWPDJGTNH-IAGOWNOFSA-N 1 1 349.450 0.683 50 0 ECAAMO NC(=O)[C@@H]1CN(c2nc(-c3ccncc3)nc3ccccc32)CC[NH2+]1 ZINC000095348732 218282665 /nfs/dbraw/zinc/28/26/65/218282665.db2.gz YDPDANJFETYARV-HNNXBMFYSA-N 1 1 334.383 0.955 50 0 ECAAMO Cc1nnnn1-c1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)ccc1C ZINC000095395867 218327002 /nfs/dbraw/zinc/32/70/02/218327002.db2.gz PSCBEUJLAARKLO-ZDUSSCGKSA-N 1 1 343.435 0.854 50 0 ECAAMO OCCNc1nc(N2CCc3n[nH]cc3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299772686 258084959 /nfs/dbraw/zinc/08/49/59/258084959.db2.gz AJIRGISJBLITBX-LLVKDONJSA-N 1 1 330.392 0.671 50 0 ECAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2nc[nH]n2)CC1 ZINC000299789702 258095518 /nfs/dbraw/zinc/09/55/18/258095518.db2.gz AAMNUIJAHSCUHN-CQSZACIVSA-N 1 1 348.451 0.344 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299765547 258080920 /nfs/dbraw/zinc/08/09/20/258080920.db2.gz ADAOEICTIGNXES-KBPBESRZSA-N 1 1 330.392 0.800 50 0 ECAAMO Cn1c(=O)cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)n(C)c1=O ZINC000057886641 132433339 /nfs/dbraw/zinc/43/33/39/132433339.db2.gz PKFAILVJEBBSAX-UHFFFAOYSA-N 1 1 332.379 0.545 50 0 ECAAMO CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000332276279 297025329 /nfs/dbraw/zinc/02/53/29/297025329.db2.gz DJSSZIAQGVCUFT-KLHDSHLOSA-N 1 1 341.452 0.400 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)NC3CCOCC3)C2)n1 ZINC000069742653 435963211 /nfs/dbraw/zinc/96/32/11/435963211.db2.gz LFWSXMWKTJCTHD-OAHLLOKOSA-N 1 1 335.452 0.902 50 0 ECAAMO C[C@@H]1C[C@H](N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C(=O)O1 ZINC000069771788 435965079 /nfs/dbraw/zinc/96/50/79/435965079.db2.gz DMEVZCNXLFYBCC-VYDXJSESSA-N 1 1 334.416 0.748 50 0 ECAAMO CCOCC[N@H+]1CCN(CC(=O)NC2CCOCC2)C[C@@H]1CC ZINC000069817532 435968246 /nfs/dbraw/zinc/96/82/46/435968246.db2.gz GXIVVRPHGHVCNT-INIZCTEOSA-N 1 1 327.469 0.714 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000069898254 435975346 /nfs/dbraw/zinc/97/53/46/435975346.db2.gz KGRGWQAZBCWVHQ-HUUCEWRRSA-N 1 1 334.420 0.059 50 0 ECAAMO COCC[NH+]1CCN([C@@H](C)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000069951298 435980690 /nfs/dbraw/zinc/98/06/90/435980690.db2.gz BSNPJUXZRGIERY-HNNXBMFYSA-N 1 1 335.448 0.964 50 0 ECAAMO CN(C)c1ccc(C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)nn1 ZINC000069632344 435954174 /nfs/dbraw/zinc/95/41/74/435954174.db2.gz BHMRONQUTNUQMW-AWEZNQCLSA-N 1 1 335.452 0.707 50 0 ECAAMO Cc1cccc(C)c1OCCNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069652496 435954591 /nfs/dbraw/zinc/95/45/91/435954591.db2.gz VTQYGOPSGYSPNS-UHFFFAOYSA-N 1 1 335.448 0.408 50 0 ECAAMO CN(C)c1ccc(C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)nn1 ZINC000069632342 435954674 /nfs/dbraw/zinc/95/46/74/435954674.db2.gz BHMRONQUTNUQMW-CQSZACIVSA-N 1 1 335.452 0.707 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000071808741 436013028 /nfs/dbraw/zinc/01/30/28/436013028.db2.gz GCPRBBFEOHSLBN-QLFBSQMISA-N 1 1 345.447 0.768 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(N)=O)C1 ZINC000071810987 436014397 /nfs/dbraw/zinc/01/43/97/436014397.db2.gz MTTFQECLXQWYNF-CHWSQXEVSA-N 1 1 336.440 0.744 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(N)=O)C1 ZINC000071810987 436014400 /nfs/dbraw/zinc/01/44/00/436014400.db2.gz MTTFQECLXQWYNF-CHWSQXEVSA-N 1 1 336.440 0.744 50 0 ECAAMO CN(CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1cnccn1 ZINC000071864704 436017941 /nfs/dbraw/zinc/01/79/41/436017941.db2.gz GIHJBHABMLUPPA-UHFFFAOYSA-N 1 1 343.435 0.381 50 0 ECAAMO CN(CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1cnccn1 ZINC000071864704 436017952 /nfs/dbraw/zinc/01/79/52/436017952.db2.gz GIHJBHABMLUPPA-UHFFFAOYSA-N 1 1 343.435 0.381 50 0 ECAAMO O=C(CN1CSCC1=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071863647 436019265 /nfs/dbraw/zinc/01/92/65/436019265.db2.gz AEEIXOIHMONCNU-OAHLLOKOSA-N 1 1 349.456 0.397 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000071882001 436023926 /nfs/dbraw/zinc/02/39/26/436023926.db2.gz ILKZCVQXUGWHER-CYBMUJFWSA-N 1 1 332.404 0.718 50 0 ECAAMO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1cccnc1 ZINC000008992581 436033944 /nfs/dbraw/zinc/03/39/44/436033944.db2.gz SZBFSWQSSHQCIQ-CQSZACIVSA-N 1 1 326.360 0.607 50 0 ECAAMO CSCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000011768282 436047099 /nfs/dbraw/zinc/04/70/99/436047099.db2.gz LFYZLBBIVHRLHJ-MRXNPFEDSA-N 1 1 347.484 0.824 50 0 ECAAMO CSCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000011768282 436047104 /nfs/dbraw/zinc/04/71/04/436047104.db2.gz LFYZLBBIVHRLHJ-MRXNPFEDSA-N 1 1 347.484 0.824 50 0 ECAAMO O[C@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCCC2)C1 ZINC000012031232 436047327 /nfs/dbraw/zinc/04/73/27/436047327.db2.gz SBIRHKQRDIVJSA-LBPRGKRZSA-N 1 1 347.423 0.872 50 0 ECAAMO O=C1[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2C[N@@H+](CCCc3ccccc3)CCN12 ZINC000014744534 436077455 /nfs/dbraw/zinc/07/74/55/436077455.db2.gz SJARXWZCXRGPRX-IXDOHACOSA-N 1 1 343.427 0.107 50 0 ECAAMO C[N@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 ZINC000016956934 436097053 /nfs/dbraw/zinc/09/70/53/436097053.db2.gz ZFHZERRVJZGGFR-LBPRGKRZSA-N 1 1 348.790 0.369 50 0 ECAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000074551771 436130246 /nfs/dbraw/zinc/13/02/46/436130246.db2.gz IWYPLRQLNDHXPM-NSHDSACASA-N 1 1 338.374 0.989 50 0 ECAAMO C[NH+](C)[C@H](C(=O)N1CCN(C[C@@H]2COCCO2)CC1)c1ccccc1 ZINC000075138209 436152407 /nfs/dbraw/zinc/15/24/07/436152407.db2.gz GRHLBVBOADDYJM-MSOLQXFVSA-N 1 1 347.459 0.849 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CCCS(=O)(=O)N(C)C)C2)no1 ZINC000076047355 436184493 /nfs/dbraw/zinc/18/44/93/436184493.db2.gz AIZVQVKZYNDGKV-ZDUSSCGKSA-N 1 1 345.469 0.166 50 0 ECAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)C(=O)c2c[nH]nc2-n2cnnn2)C1 ZINC000077427070 436236090 /nfs/dbraw/zinc/23/60/90/436236090.db2.gz DZOBVDLZQZVFOZ-LBPRGKRZSA-N 1 1 332.412 0.578 50 0 ECAAMO COc1ccccc1COC[C@@H](O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000032721080 436242291 /nfs/dbraw/zinc/24/22/91/436242291.db2.gz QIBURKMDEPYBQT-CABCVRRESA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccccc1COC[C@@H](O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000032721080 436242299 /nfs/dbraw/zinc/24/22/99/436242299.db2.gz QIBURKMDEPYBQT-CABCVRRESA-N 1 1 343.445 0.692 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000076059095 436189186 /nfs/dbraw/zinc/18/91/86/436189186.db2.gz GIDLCUJLARKGLX-IAQYHMDHSA-N 1 1 337.445 0.591 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000028421905 436189360 /nfs/dbraw/zinc/18/93/60/436189360.db2.gz LAZVYHBKAPTPLL-UHFFFAOYSA-N 1 1 348.403 0.425 50 0 ECAAMO COc1ccccc1COC[C@H](O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000036433591 436257319 /nfs/dbraw/zinc/25/73/19/436257319.db2.gz QIBURKMDEPYBQT-LSDHHAIUSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000036433591 436257325 /nfs/dbraw/zinc/25/73/25/436257325.db2.gz QIBURKMDEPYBQT-LSDHHAIUSA-N 1 1 343.445 0.692 50 0 ECAAMO Cc1nn(C)c(C)c1CN1CCN(C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000041123507 436269256 /nfs/dbraw/zinc/26/92/56/436269256.db2.gz HYCZQKKHGMZLMT-GOSISDBHSA-N 1 1 335.496 0.611 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc2n1 ZINC000078789196 436277374 /nfs/dbraw/zinc/27/73/74/436277374.db2.gz IDFYQIBZRFABTK-KGLIPLIRSA-N 1 1 344.419 0.412 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)COc1ccc(F)cc1 ZINC000085469986 436389707 /nfs/dbraw/zinc/38/97/07/436389707.db2.gz ZYHAHYXCOFZUFQ-CQSZACIVSA-N 1 1 326.368 0.356 50 0 ECAAMO O=C(CN1CC[NH+](C[C@@H](O)c2cccs2)CC1)N1CCOCC1 ZINC000085436929 436390385 /nfs/dbraw/zinc/39/03/85/436390385.db2.gz HEEJUQRTCKFMJZ-CQSZACIVSA-N 1 1 339.461 0.258 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1ncccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047012169 436408036 /nfs/dbraw/zinc/40/80/36/436408036.db2.gz HUKZSJMOHFHNOR-BFHYXJOUSA-N 1 1 336.440 0.685 50 0 ECAAMO COCCn1nc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1=O ZINC000044941610 436354935 /nfs/dbraw/zinc/35/49/35/436354935.db2.gz XYGWYJFJIFDPFX-CQSZACIVSA-N 1 1 336.436 0.742 50 0 ECAAMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000193356973 301701587 /nfs/dbraw/zinc/70/15/87/301701587.db2.gz IVGIDNKFHVCHCH-LLVKDONJSA-N 1 1 332.447 0.381 50 0 ECAAMO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000044941747 436355727 /nfs/dbraw/zinc/35/57/27/436355727.db2.gz ABQRHONVSIYSFY-LSDHHAIUSA-N 1 1 337.445 0.951 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000089364891 436409754 /nfs/dbraw/zinc/40/97/54/436409754.db2.gz RSVFWPPPRGOSMK-LBPRGKRZSA-N 1 1 348.407 0.005 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000089364891 436409759 /nfs/dbraw/zinc/40/97/59/436409759.db2.gz RSVFWPPPRGOSMK-LBPRGKRZSA-N 1 1 348.407 0.005 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000048361486 436450867 /nfs/dbraw/zinc/45/08/67/436450867.db2.gz DNRYSLZPNJKUKE-HNNXBMFYSA-N 1 1 346.431 0.500 50 0 ECAAMO CC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091365116 436450882 /nfs/dbraw/zinc/45/08/82/436450882.db2.gz MSXQLRMCYCSXPC-QZTJIDSGSA-N 1 1 346.427 0.902 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(=O)n(C)c1=O ZINC000048356466 436451387 /nfs/dbraw/zinc/45/13/87/436451387.db2.gz LCAFFFNWXSVRHL-NSHDSACASA-N 1 1 348.428 0.748 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c(=O)n(C)c1=O ZINC000048356466 436451389 /nfs/dbraw/zinc/45/13/89/436451389.db2.gz LCAFFFNWXSVRHL-NSHDSACASA-N 1 1 348.428 0.748 50 0 ECAAMO Cc1cccc([C@H](C(=O)NCCCN2CCNC(=O)C2)[NH+](C)C)c1 ZINC000091830583 436460894 /nfs/dbraw/zinc/46/08/94/436460894.db2.gz XODDYDOEEQNWMX-QGZVFWFLSA-N 1 1 332.448 0.536 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc(C)c1C ZINC000089585662 436414537 /nfs/dbraw/zinc/41/45/37/436414537.db2.gz UKNLLSXGDSUXKN-GFCCVEGCSA-N 1 1 339.461 0.988 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc(C)c1C ZINC000089585662 436414542 /nfs/dbraw/zinc/41/45/42/436414542.db2.gz UKNLLSXGDSUXKN-GFCCVEGCSA-N 1 1 339.461 0.988 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000089937315 436421211 /nfs/dbraw/zinc/42/12/11/436421211.db2.gz WYXNDKNAVAAGQT-MCIONIFRSA-N 1 1 331.482 0.457 50 0 ECAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CNC(=O)N3)c2)CCO1 ZINC000089941161 436421602 /nfs/dbraw/zinc/42/16/02/436421602.db2.gz HTBULHSEEFPZDG-WFASDCNBSA-N 1 1 332.404 0.205 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CNC(=O)N3)c2)CCO1 ZINC000089941161 436421606 /nfs/dbraw/zinc/42/16/06/436421606.db2.gz HTBULHSEEFPZDG-WFASDCNBSA-N 1 1 332.404 0.205 50 0 ECAAMO CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000089948594 436423907 /nfs/dbraw/zinc/42/39/07/436423907.db2.gz FFJJQNCULMPJJS-HOCLYGCPSA-N 1 1 348.447 0.498 50 0 ECAAMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cnc21 ZINC000089960695 436424275 /nfs/dbraw/zinc/42/42/75/436424275.db2.gz OXCCPBHIRDQJLJ-NSHDSACASA-N 1 1 345.403 0.271 50 0 ECAAMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cnc21 ZINC000089960695 436424277 /nfs/dbraw/zinc/42/42/77/436424277.db2.gz OXCCPBHIRDQJLJ-NSHDSACASA-N 1 1 345.403 0.271 50 0 ECAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000095395222 436493734 /nfs/dbraw/zinc/49/37/34/436493734.db2.gz VMSWUJPRTPMWJL-HNNXBMFYSA-N 1 1 339.461 0.707 50 0 ECAAMO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099727 436512645 /nfs/dbraw/zinc/51/26/45/436512645.db2.gz QTJWMRBVIIOSDQ-CQSZACIVSA-N 1 1 342.465 0.257 50 0 ECAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N(C)C)nc1 ZINC000096402800 436529765 /nfs/dbraw/zinc/52/97/65/436529765.db2.gz KVHAXOMIEZYPTH-OAHLLOKOSA-N 1 1 347.463 0.820 50 0 ECAAMO C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000096424725 436532129 /nfs/dbraw/zinc/53/21/29/436532129.db2.gz QQAYDHIXLDYJGA-NVXWUHKLSA-N 1 1 332.448 0.744 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cnc(N3CCCC3)nc2)C1 ZINC000097797690 436544099 /nfs/dbraw/zinc/54/40/99/436544099.db2.gz RYXNYHLZSLJREV-ZDUSSCGKSA-N 1 1 346.435 0.004 50 0 ECAAMO COc1ccc([C@H](O)C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000106722998 436600255 /nfs/dbraw/zinc/60/02/55/436600255.db2.gz SKCAVGOJZPEVQD-KRWDZBQOSA-N 1 1 347.459 0.967 50 0 ECAAMO COc1ccc([C@H](O)C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)cc1 ZINC000106722998 436600257 /nfs/dbraw/zinc/60/02/57/436600257.db2.gz SKCAVGOJZPEVQD-KRWDZBQOSA-N 1 1 347.459 0.967 50 0 ECAAMO COc1ccc([C@H](O)C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)cc1 ZINC000106722998 436600261 /nfs/dbraw/zinc/60/02/61/436600261.db2.gz SKCAVGOJZPEVQD-KRWDZBQOSA-N 1 1 347.459 0.967 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@@H]1C ZINC000106868151 436604101 /nfs/dbraw/zinc/60/41/01/436604101.db2.gz SVHHZUVVMXDWBD-KBPBESRZSA-N 1 1 325.478 0.794 50 0 ECAAMO Cn1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000108123341 436616359 /nfs/dbraw/zinc/61/63/59/436616359.db2.gz OQNGKVDKTHDDRO-INIZCTEOSA-N 1 1 328.416 0.573 50 0 ECAAMO Cn1cc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000108123341 436616363 /nfs/dbraw/zinc/61/63/63/436616363.db2.gz OQNGKVDKTHDDRO-INIZCTEOSA-N 1 1 328.416 0.573 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000058018267 436620135 /nfs/dbraw/zinc/62/01/35/436620135.db2.gz DCSGCFYFZFEYFK-UHFFFAOYSA-N 1 1 339.399 0.964 50 0 ECAAMO Cc1cccc(N2CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC2)[nH+]1 ZINC000116666882 436650496 /nfs/dbraw/zinc/65/04/96/436650496.db2.gz UCDFTMCTAKPSSG-LBPRGKRZSA-N 1 1 325.434 0.908 50 0 ECAAMO CC(C)c1nnsc1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065381047 436655957 /nfs/dbraw/zinc/65/59/57/436655957.db2.gz VIZPQRMVKWVZDB-NSHDSACASA-N 1 1 339.465 0.877 50 0 ECAAMO CC(C)c1nnsc1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065381047 436655960 /nfs/dbraw/zinc/65/59/60/436655960.db2.gz VIZPQRMVKWVZDB-NSHDSACASA-N 1 1 339.465 0.877 50 0 ECAAMO C[C@H]1CCCN(C(=O)CCN2CC[NH+](CCOCCO)CC2)C1 ZINC000065404061 436658597 /nfs/dbraw/zinc/65/85/97/436658597.db2.gz FALDZTHAMUCKDW-INIZCTEOSA-N 1 1 327.469 0.262 50 0 ECAAMO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000220176980 436699860 /nfs/dbraw/zinc/69/98/60/436699860.db2.gz DEGCOWQWULIROA-KGLIPLIRSA-N 1 1 329.400 0.491 50 0 ECAAMO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000220176980 436699864 /nfs/dbraw/zinc/69/98/64/436699864.db2.gz DEGCOWQWULIROA-KGLIPLIRSA-N 1 1 329.400 0.491 50 0 ECAAMO C[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1nc(-c2ccccn2)no1 ZINC000221377596 436700462 /nfs/dbraw/zinc/70/04/62/436700462.db2.gz ZRCBDBNOJWRAFS-CYBMUJFWSA-N 1 1 344.419 0.946 50 0 ECAAMO CC[N@H+]1CC[C@@H](CNC(=O)N2CCC(NS(C)(=O)=O)CC2)C1 ZINC000065446786 436661760 /nfs/dbraw/zinc/66/17/60/436661760.db2.gz BJPZHGOPBNMLRO-LBPRGKRZSA-N 1 1 332.470 0.051 50 0 ECAAMO CN1CCN([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2O)CC1 ZINC000065460748 436663039 /nfs/dbraw/zinc/66/30/39/436663039.db2.gz PHGNPGYHZPOEBE-ROUUACIJSA-N 1 1 342.447 0.060 50 0 ECAAMO CCCC(=O)N1CCC([N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067982606 436730413 /nfs/dbraw/zinc/73/04/13/436730413.db2.gz RPIVTMZADMDETJ-ZDUSSCGKSA-N 1 1 331.482 0.649 50 0 ECAAMO CC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000241862515 436759314 /nfs/dbraw/zinc/75/93/14/436759314.db2.gz SQUVVWYEPHTNFY-IJLUTSLNSA-N 1 1 325.375 0.830 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](C[C@@H](O)Cn1cccn1)C[C@H]2O ZINC000241897282 436759500 /nfs/dbraw/zinc/75/95/00/436759500.db2.gz TXHGYRRZIVRTAE-TZMCWYRMSA-N 1 1 333.388 0.810 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@H]2O ZINC000241897282 436759505 /nfs/dbraw/zinc/75/95/05/436759505.db2.gz TXHGYRRZIVRTAE-TZMCWYRMSA-N 1 1 333.388 0.810 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000069452812 436773995 /nfs/dbraw/zinc/77/39/95/436773995.db2.gz RZEMSIUDYFTKSD-MRXNPFEDSA-N 1 1 348.495 0.090 50 0 ECAAMO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000069558132 436780779 /nfs/dbraw/zinc/78/07/79/436780779.db2.gz IPLNYAHZBSKSHY-STQMWFEESA-N 1 1 334.420 0.957 50 0 ECAAMO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[N@H+]4CCC[C@H]4C3)cc12 ZINC000247228690 436790503 /nfs/dbraw/zinc/79/05/03/436790503.db2.gz CRCQIWBJURZBHV-LBPRGKRZSA-N 1 1 335.433 0.745 50 0 ECAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000247187582 436790815 /nfs/dbraw/zinc/79/08/15/436790815.db2.gz SNGDVTBQXUSFMB-ZYHUDNBSSA-N 1 1 328.438 0.131 50 0 ECAAMO CCN(C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248271147 436800726 /nfs/dbraw/zinc/80/07/26/436800726.db2.gz VVQVGXDSOBGTHR-HIFRSBDPSA-N 1 1 344.477 0.523 50 0 ECAAMO CCN(C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248271147 436800730 /nfs/dbraw/zinc/80/07/30/436800730.db2.gz VVQVGXDSOBGTHR-HIFRSBDPSA-N 1 1 344.477 0.523 50 0 ECAAMO CN(C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248085672 436801128 /nfs/dbraw/zinc/80/11/28/436801128.db2.gz WNWAKQFVVJJWQS-OCCSQVGLSA-N 1 1 330.450 0.133 50 0 ECAAMO CN(C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248085672 436801131 /nfs/dbraw/zinc/80/11/31/436801131.db2.gz WNWAKQFVVJJWQS-OCCSQVGLSA-N 1 1 330.450 0.133 50 0 ECAAMO Cn1cc([C@H](NC(=O)CCC[NH+]2CCOCC2)[C@H]2C[C@H](O)C2)cn1 ZINC000252551391 436838192 /nfs/dbraw/zinc/83/81/92/436838192.db2.gz UEFXJRFGYSIWQE-FRFSOERESA-N 1 1 336.436 0.461 50 0 ECAAMO C[C@@](O)(C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397057 436841189 /nfs/dbraw/zinc/84/11/89/436841189.db2.gz TUTWBPRLMNMWNB-WDEREUQCSA-N 1 1 330.372 0.800 50 0 ECAAMO C[C@@](O)(C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(F)(F)F ZINC000253397057 436841194 /nfs/dbraw/zinc/84/11/94/436841194.db2.gz TUTWBPRLMNMWNB-WDEREUQCSA-N 1 1 330.372 0.800 50 0 ECAAMO Cc1nsc2ncn(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)c12 ZINC000253426798 436845864 /nfs/dbraw/zinc/84/58/64/436845864.db2.gz XQOQNLMLLIOUKF-JFGNBEQYSA-N 1 1 338.433 0.632 50 0 ECAAMO Cc1nsc2ncn(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)c12 ZINC000253426798 436845868 /nfs/dbraw/zinc/84/58/68/436845868.db2.gz XQOQNLMLLIOUKF-JFGNBEQYSA-N 1 1 338.433 0.632 50 0 ECAAMO Cc1nsc2ncn(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)c(=O)c12 ZINC000253426793 436846638 /nfs/dbraw/zinc/84/66/38/436846638.db2.gz XQOQNLMLLIOUKF-JBLDHEPKSA-N 1 1 338.433 0.632 50 0 ECAAMO CN(C)S(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC=CCC2)n(C)c1 ZINC000279948540 436851375 /nfs/dbraw/zinc/85/13/75/436851375.db2.gz IDQSRWWXEZPGAG-UHFFFAOYSA-N 1 1 340.449 0.267 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CCC(C)C)CC1 ZINC000257192968 436859554 /nfs/dbraw/zinc/85/95/54/436859554.db2.gz WQJRDFIVEAYCEW-CABCVRRESA-N 1 1 325.453 0.595 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@H]1C ZINC000252477825 436830920 /nfs/dbraw/zinc/83/09/20/436830920.db2.gz VYAMHVPBYPXKQZ-KGLIPLIRSA-N 1 1 347.415 0.326 50 0 ECAAMO O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252448868 436832656 /nfs/dbraw/zinc/83/26/56/436832656.db2.gz GPDOHJSEEADGFS-JKSUJKDBSA-N 1 1 326.404 0.764 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000252504997 436835631 /nfs/dbraw/zinc/83/56/31/436835631.db2.gz HPGWGIGEDIPEDL-HUUCEWRRSA-N 1 1 337.468 0.431 50 0 ECAAMO C[NH+]1CCN(NC(=O)c2ccc(OCC3CCOCC3)nc2)CC1 ZINC000252508312 436836743 /nfs/dbraw/zinc/83/67/43/436836743.db2.gz XJQZUGNANMDBAR-UHFFFAOYSA-N 1 1 334.420 0.779 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCC[C@H]2Cn2cncn2)C[C@H](C)O1 ZINC000257365023 436877459 /nfs/dbraw/zinc/87/74/59/436877459.db2.gz HTYIPHUNEGEECT-YVSFHVDLSA-N 1 1 337.468 0.603 50 0 ECAAMO CC[N@@H+](C)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C1 ZINC000170606206 436946223 /nfs/dbraw/zinc/94/62/23/436946223.db2.gz GVBASVJMXMBQOH-ZFWWWQNUSA-N 1 1 343.431 0.877 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@H](O)C1 ZINC000426361653 438054956 /nfs/dbraw/zinc/05/49/56/438054956.db2.gz FVINAKXWKAHPIM-HZPDHXFCSA-N 1 1 347.459 0.604 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@H](O)C1 ZINC000426361653 438054959 /nfs/dbraw/zinc/05/49/59/438054959.db2.gz FVINAKXWKAHPIM-HZPDHXFCSA-N 1 1 347.459 0.604 50 0 ECAAMO O=C(NCc1cc2n(n1)CC[N@H+](CCn1cnnc1)C2)C1CCC1 ZINC000426434129 438059850 /nfs/dbraw/zinc/05/98/50/438059850.db2.gz PHHVAVSZEQLDMD-UHFFFAOYSA-N 1 1 329.408 0.407 50 0 ECAAMO O=C(NCc1cc2n(n1)CC[N@@H+](CCn1cnnc1)C2)C1CCC1 ZINC000426434129 438059855 /nfs/dbraw/zinc/05/98/55/438059855.db2.gz PHHVAVSZEQLDMD-UHFFFAOYSA-N 1 1 329.408 0.407 50 0 ECAAMO Cc1cccnc1CNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426545088 438064632 /nfs/dbraw/zinc/06/46/32/438064632.db2.gz NZZCAMAGFPYDAJ-ZDUSSCGKSA-N 1 1 329.404 0.544 50 0 ECAAMO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000426527140 438064648 /nfs/dbraw/zinc/06/46/48/438064648.db2.gz ZKRJMQVIIINWRA-HZPDHXFCSA-N 1 1 333.432 0.557 50 0 ECAAMO Cc1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000426527140 438064652 /nfs/dbraw/zinc/06/46/52/438064652.db2.gz ZKRJMQVIIINWRA-HZPDHXFCSA-N 1 1 333.432 0.557 50 0 ECAAMO Cc1nc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)sc1C ZINC000426571842 438067583 /nfs/dbraw/zinc/06/75/83/438067583.db2.gz VOPJVXSWSREAIE-LBPRGKRZSA-N 1 1 349.460 0.914 50 0 ECAAMO Cc1c[nH]c(CN(C)c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)n1 ZINC000426622923 438068989 /nfs/dbraw/zinc/06/89/89/438068989.db2.gz KSIAMUCHYQQZRG-GFCCVEGCSA-N 1 1 332.408 1.053 50 0 ECAAMO Cc1nnc(SCCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)[nH]1 ZINC000426746097 438074378 /nfs/dbraw/zinc/07/43/78/438074378.db2.gz MPFBIBXLWWFRDY-LBPRGKRZSA-N 1 1 349.464 0.685 50 0 ECAAMO C[NH+]1CCN(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)CC1 ZINC000575605297 438751024 /nfs/dbraw/zinc/75/10/24/438751024.db2.gz IZNJOHVQGKFCFR-GFCCVEGCSA-N 1 1 325.800 0.951 50 0 ECAAMO C[NH+]1CCN(CC2(CNC(=O)Cc3ccc(CO)cc3)CC2)CC1 ZINC000534588189 439529150 /nfs/dbraw/zinc/52/91/50/439529150.db2.gz SBNPGVFVSPJOQZ-UHFFFAOYSA-N 1 1 331.460 0.865 50 0 ECAAMO O=C(CCCn1cnnn1)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534645920 439531385 /nfs/dbraw/zinc/53/13/85/439531385.db2.gz LUVCBKZRWOWMTD-HNNXBMFYSA-N 1 1 329.408 0.629 50 0 ECAAMO O=C(CCCn1cnnn1)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534645920 439531392 /nfs/dbraw/zinc/53/13/92/439531392.db2.gz LUVCBKZRWOWMTD-HNNXBMFYSA-N 1 1 329.408 0.629 50 0 ECAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCO[C@H](C(=O)N(C)C)C2)CC1 ZINC000534649842 439531867 /nfs/dbraw/zinc/53/18/67/439531867.db2.gz LXVGIRNKTMVVLP-AWEZNQCLSA-N 1 1 349.435 0.470 50 0 ECAAMO C[C@H](CCNC(=O)CSc1nccn1C)N1CC[NH+](C)CC1 ZINC000534639487 439532539 /nfs/dbraw/zinc/53/25/39/439532539.db2.gz IPXYCTJOKCDWCB-CYBMUJFWSA-N 1 1 325.482 0.654 50 0 ECAAMO COc1ccccc1OCc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000227160639 537098944 /nfs/dbraw/zinc/09/89/44/537098944.db2.gz WGNOBNAQWRBBAF-UHFFFAOYSA-N 1 1 345.403 0.640 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000084281123 545710607 /nfs/dbraw/zinc/71/06/07/545710607.db2.gz SBTXMBHMTMEASR-AWEZNQCLSA-N 1 1 335.408 0.422 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000084281123 545710611 /nfs/dbraw/zinc/71/06/11/545710611.db2.gz SBTXMBHMTMEASR-AWEZNQCLSA-N 1 1 335.408 0.422 50 0 ECAAMO C[C@@]1([C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)NC(=O)NC1=O ZINC000084668184 545713534 /nfs/dbraw/zinc/71/35/34/545713534.db2.gz DPRAAYWAAVANGR-ZBEGNZNMSA-N 1 1 334.376 0.206 50 0 ECAAMO O=C(NCc1noc(-c2ccccc2F)n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000684154433 549568853 /nfs/dbraw/zinc/56/88/53/549568853.db2.gz SXVXFNRRTVRGHH-AWEZNQCLSA-N 1 1 345.378 0.882 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc(-c3ncon3)cc2)C1 ZINC000952978867 612139777 /nfs/dbraw/zinc/13/97/77/612139777.db2.gz CHBKFQFVAPNJEK-AWEZNQCLSA-N 1 1 343.387 0.550 50 0 ECAAMO COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000952988203 612140218 /nfs/dbraw/zinc/14/02/18/612140218.db2.gz PVCLSPFTKBRNKE-LBPRGKRZSA-N 1 1 345.407 0.245 50 0 ECAAMO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CC[NH+](CCO)CC1 ZINC000052876571 214152608 /nfs/dbraw/zinc/15/26/08/214152608.db2.gz WBDCMCGMZFEZGK-LBPRGKRZSA-N 1 1 337.386 0.786 50 0 ECAAMO O=C(NCCc1ccco1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097675425 219046654 /nfs/dbraw/zinc/04/66/54/219046654.db2.gz RPTPTPQWHDYHGK-CQSZACIVSA-N 1 1 340.445 0.837 50 0 ECAAMO COc1ccc(CCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1OC ZINC000054537213 214243648 /nfs/dbraw/zinc/24/36/48/214243648.db2.gz XWQUVKPJSGIWPY-UHFFFAOYSA-N 1 1 349.431 0.702 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2c[nH]nc2-c2cccs2)C1 ZINC000055153518 214280166 /nfs/dbraw/zinc/28/01/66/214280166.db2.gz PTMXPHPVWCWFQZ-LLVKDONJSA-N 1 1 347.444 0.952 50 0 ECAAMO NC(=O)CNCc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000055244359 214294185 /nfs/dbraw/zinc/29/41/85/214294185.db2.gz CWIUDDKJXPJOAN-MRXNPFEDSA-N 1 1 335.448 0.877 50 0 ECAAMO CNC(=O)C[N@@H+](C)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067674521 215178407 /nfs/dbraw/zinc/17/84/07/215178407.db2.gz ORNHITYVEAUHHU-IBGZPJMESA-N 1 1 347.459 0.651 50 0 ECAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O ZINC000067852075 215232269 /nfs/dbraw/zinc/23/22/69/215232269.db2.gz BPLLSYNOIINZAQ-NSHDSACASA-N 1 1 332.360 0.298 50 0 ECAAMO CN1CC[N@H+]2C[C@@H](NC(=O)CCc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000067867679 215235019 /nfs/dbraw/zinc/23/50/19/215235019.db2.gz PKGGCNGZUUSTMY-GJZGRUSLSA-N 1 1 331.416 0.852 50 0 ECAAMO C[N@@H+]1CCN2C[C@@H](NC(=O)CCc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000067867679 215235022 /nfs/dbraw/zinc/23/50/22/215235022.db2.gz PKGGCNGZUUSTMY-GJZGRUSLSA-N 1 1 331.416 0.852 50 0 ECAAMO C[N@H+]1CCN2C[C@@H](NC(=O)CCc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000067867679 215235025 /nfs/dbraw/zinc/23/50/25/215235025.db2.gz PKGGCNGZUUSTMY-GJZGRUSLSA-N 1 1 331.416 0.852 50 0 ECAAMO O=C(NC1CC1)c1ccnc(N2CCC3(CC2)[NH2+]CCNC3=O)c1 ZINC000067954745 215258839 /nfs/dbraw/zinc/25/88/39/215258839.db2.gz XOBSTISCNMAZMN-UHFFFAOYSA-N 1 1 329.404 0.032 50 0 ECAAMO CC[N@H+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc2c(c1)OCO2 ZINC000040474012 213311365 /nfs/dbraw/zinc/31/13/65/213311365.db2.gz MALHSHMSTXVQJU-UHFFFAOYSA-N 1 1 347.415 0.961 50 0 ECAAMO CC[N@@H+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc2c(c1)OCO2 ZINC000040474012 213311367 /nfs/dbraw/zinc/31/13/67/213311367.db2.gz MALHSHMSTXVQJU-UHFFFAOYSA-N 1 1 347.415 0.961 50 0 ECAAMO O=C(CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1)NCC1CC1 ZINC000069770720 215569382 /nfs/dbraw/zinc/56/93/82/215569382.db2.gz BKRRTBRHMVNDSX-KRWDZBQOSA-N 1 1 347.459 0.570 50 0 ECAAMO CC(C)CNC(=O)[C@H](C)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000069811227 215587919 /nfs/dbraw/zinc/58/79/19/215587919.db2.gz YBMHTJHZNMHSEC-HNNXBMFYSA-N 1 1 338.496 0.953 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)cc2n1 ZINC000072148704 216036611 /nfs/dbraw/zinc/03/66/11/216036611.db2.gz WPBVUYJPURBLNI-AWEZNQCLSA-N 1 1 342.403 0.039 50 0 ECAAMO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072157605 216047043 /nfs/dbraw/zinc/04/70/43/216047043.db2.gz XGTYMRVVPYRYIV-INIZCTEOSA-N 1 1 347.463 0.794 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000072234624 216074160 /nfs/dbraw/zinc/07/41/60/216074160.db2.gz RCSPLLBNNYMZHP-LBPRGKRZSA-N 1 1 328.438 0.548 50 0 ECAAMO CCn1c(C)nnc1SCCNC(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072421839 216210414 /nfs/dbraw/zinc/21/04/14/216210414.db2.gz VQFTVEPCELEVQM-LBPRGKRZSA-N 1 1 335.437 0.425 50 0 ECAAMO CC[N@H+]1CCC[C@@H](C(=O)N2CCc3ncnc(NCCO)c3CC2)C1 ZINC000072433871 216228598 /nfs/dbraw/zinc/22/85/98/216228598.db2.gz SFOQJIVTOPVBNS-CQSZACIVSA-N 1 1 347.463 0.540 50 0 ECAAMO Cc1nc([C@@H]2CCC[N@@H+](CCC(N)=O)C2)cc(N2CCOCC2)n1 ZINC000072433490 216228744 /nfs/dbraw/zinc/22/87/44/216228744.db2.gz CGSWERDOVYMKJO-CQSZACIVSA-N 1 1 333.436 0.676 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)c1 ZINC000072453846 216241008 /nfs/dbraw/zinc/24/10/08/216241008.db2.gz MJKWKHSOXRTPHD-UHFFFAOYSA-N 1 1 328.372 0.742 50 0 ECAAMO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023005298 212341607 /nfs/dbraw/zinc/34/16/07/212341607.db2.gz YNVFBYBDULARDF-UHFFFAOYSA-N 1 1 338.795 0.683 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCN1C[C@@H](O)c1ccccc1 ZINC000229527803 242176076 /nfs/dbraw/zinc/17/60/76/242176076.db2.gz ADZJEZOVBSLDJU-BHIYHBOVSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229527803 242176081 /nfs/dbraw/zinc/17/60/81/242176081.db2.gz ADZJEZOVBSLDJU-BHIYHBOVSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229527803 242176083 /nfs/dbraw/zinc/17/60/83/242176083.db2.gz ADZJEZOVBSLDJU-BHIYHBOVSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000230214729 242252213 /nfs/dbraw/zinc/25/22/13/242252213.db2.gz BBHFAZNWGKEEPK-SOUVJXGZSA-N 1 1 338.452 0.979 50 0 ECAAMO CS(=O)(=O)N1CCC[N@@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000244602045 243044955 /nfs/dbraw/zinc/04/49/55/243044955.db2.gz DWRZIZZJJYCCSW-UHFFFAOYSA-N 1 1 326.422 0.378 50 0 ECAAMO CCN1CC[NH+](CCCNC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000020104034 212101354 /nfs/dbraw/zinc/10/13/54/212101354.db2.gz QNNZBETUBFKDPJ-UHFFFAOYSA-N 1 1 343.431 0.681 50 0 ECAAMO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000019973669 212092484 /nfs/dbraw/zinc/09/24/84/212092484.db2.gz TWBZFYINNUSHFW-ZDUSSCGKSA-N 1 1 333.388 0.583 50 0 ECAAMO COc1ccc(N2C(=O)C=C(N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000019831857 212073390 /nfs/dbraw/zinc/07/33/90/212073390.db2.gz VBUVZLCZZRRJCT-UHFFFAOYSA-N 1 1 331.372 0.062 50 0 ECAAMO C[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 ZINC000019589721 212049536 /nfs/dbraw/zinc/04/95/36/212049536.db2.gz NGCIDXIAOVYRLD-UHFFFAOYSA-N 1 1 339.461 0.265 50 0 ECAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC000091435337 218004805 /nfs/dbraw/zinc/00/48/05/218004805.db2.gz GWCYEFUDSVFLAQ-CYBMUJFWSA-N 1 1 333.392 0.515 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1CO ZINC000091624757 218033448 /nfs/dbraw/zinc/03/34/48/218033448.db2.gz VBGJVHBEPOHOKM-HZPDHXFCSA-N 1 1 337.439 1.000 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1CO ZINC000091624757 218033450 /nfs/dbraw/zinc/03/34/50/218033450.db2.gz VBGJVHBEPOHOKM-HZPDHXFCSA-N 1 1 337.439 1.000 50 0 ECAAMO Cc1nc(C)c(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)s1 ZINC000091526463 218017548 /nfs/dbraw/zinc/01/75/48/218017548.db2.gz YUAYMKBTNXTCRS-ZIAGYGMSSA-N 1 1 341.477 0.293 50 0 ECAAMO CCc1cc(C(=O)N2C[C@H](CO)C[C@H](C[N@@H+](C)CCOC)C2)on1 ZINC000091644804 218037302 /nfs/dbraw/zinc/03/73/02/218037302.db2.gz XULYYWWUZZENME-ZIAGYGMSSA-N 1 1 339.436 0.886 50 0 ECAAMO NC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000091810011 218069798 /nfs/dbraw/zinc/06/97/98/218069798.db2.gz RRZNNVPCPKKDKU-GDBMZVCRSA-N 1 1 349.406 0.750 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(OC)cc2)C[N@@H+]1C ZINC000095368270 218299918 /nfs/dbraw/zinc/29/99/18/218299918.db2.gz PMRSLCOLOUYKJL-ZBFHGGJFSA-N 1 1 333.432 0.953 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(OC)cc2)C[N@H+]1C ZINC000095368270 218299920 /nfs/dbraw/zinc/29/99/20/218299920.db2.gz PMRSLCOLOUYKJL-ZBFHGGJFSA-N 1 1 333.432 0.953 50 0 ECAAMO CCCn1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1C ZINC000095365778 218298167 /nfs/dbraw/zinc/29/81/67/218298167.db2.gz JVNNEUNPIHGGCU-RTBURBONSA-N 1 1 349.523 0.889 50 0 ECAAMO CCCn1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1C ZINC000095365778 218298168 /nfs/dbraw/zinc/29/81/68/218298168.db2.gz JVNNEUNPIHGGCU-RTBURBONSA-N 1 1 349.523 0.889 50 0 ECAAMO COC(=O)c1ccc2ccn(CC(=O)N3CC[NH+](C)CC3)c(=O)c2c1 ZINC000095375276 218308185 /nfs/dbraw/zinc/30/81/85/218308185.db2.gz IJCNCLHGNJHRSC-UHFFFAOYSA-N 1 1 343.383 0.562 50 0 ECAAMO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095370363 218302188 /nfs/dbraw/zinc/30/21/88/218302188.db2.gz FZPKBGBBHMNGGS-JKSUJKDBSA-N 1 1 341.419 0.581 50 0 ECAAMO Cc1ccnn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095386583 218318263 /nfs/dbraw/zinc/31/82/63/218318263.db2.gz KUMLOJQMQLWDJT-JKSUJKDBSA-N 1 1 347.463 0.593 50 0 ECAAMO COc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000095419788 218359656 /nfs/dbraw/zinc/35/96/56/218359656.db2.gz BXGUTUFDSLDWOR-UHFFFAOYSA-N 1 1 334.464 0.976 50 0 ECAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)COCC2CC2)CC1 ZINC000095448034 218391744 /nfs/dbraw/zinc/39/17/44/218391744.db2.gz KQYNPSFWMPSZBE-UHFFFAOYSA-N 1 1 325.453 0.860 50 0 ECAAMO O=C1NCC2(CCN(c3nc(N4CCC[C@H](O)C4)cc[nH+]3)CC2)O1 ZINC000065528387 284873612 /nfs/dbraw/zinc/87/36/12/284873612.db2.gz KEEHLMLAPXLBRN-LBPRGKRZSA-N 1 1 333.392 0.517 50 0 ECAAMO O=C([C@H]1CNC(=O)C1)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000097499617 219030233 /nfs/dbraw/zinc/03/02/33/219030233.db2.gz HCVNWIYBHAYNKI-CQSZACIVSA-N 1 1 349.406 0.875 50 0 ECAAMO Cc1cc2nc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)cc(C)n2n1 ZINC000097551276 219034440 /nfs/dbraw/zinc/03/44/40/219034440.db2.gz BTRCYJQGYUJSFC-ZDUSSCGKSA-N 1 1 344.419 0.273 50 0 ECAAMO CC[C@](C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000041406229 288392805 /nfs/dbraw/zinc/39/28/05/288392805.db2.gz VQYGJVYDARQQIQ-DZGCQCFKSA-N 1 1 347.481 0.028 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 ZINC000299793534 258098624 /nfs/dbraw/zinc/09/86/24/258098624.db2.gz IKDOYVLWWGFOAC-HUUCEWRRSA-N 1 1 337.395 0.008 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 ZINC000299793534 258098626 /nfs/dbraw/zinc/09/86/26/258098626.db2.gz IKDOYVLWWGFOAC-HUUCEWRRSA-N 1 1 337.395 0.008 50 0 ECAAMO Cc1cc(C)n(CCNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)c(=O)n1 ZINC000299762035 258078340 /nfs/dbraw/zinc/07/83/40/258078340.db2.gz ZWRRJVBLZPGVID-GFCCVEGCSA-N 1 1 330.392 0.848 50 0 ECAAMO COCCN(C(=O)C[N@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000044890645 292389664 /nfs/dbraw/zinc/38/96/64/292389664.db2.gz HZUHUNKNVPDRFM-AWEZNQCLSA-N 1 1 332.466 0.523 50 0 ECAAMO COCCN(C(=O)C[N@@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000044890645 292389665 /nfs/dbraw/zinc/38/96/65/292389665.db2.gz HZUHUNKNVPDRFM-AWEZNQCLSA-N 1 1 332.466 0.523 50 0 ECAAMO CNC(=O)c1cc(NC(=O)NC[C@H]2COCC[N@@H+](C)C2)ccc1F ZINC000096137887 277255774 /nfs/dbraw/zinc/25/57/74/277255774.db2.gz UZHQZZCDPVRIBJ-LLVKDONJSA-N 1 1 338.383 0.885 50 0 ECAAMO Cc1nc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)oc1C ZINC000069697188 435960267 /nfs/dbraw/zinc/96/02/67/435960267.db2.gz BTUJESHUMQMKET-MRXNPFEDSA-N 1 1 338.452 0.102 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)CCNc3ncccn3)CC2)cn1 ZINC000069771464 435966603 /nfs/dbraw/zinc/96/66/03/435966603.db2.gz TWBUQCOCOGHSJS-UHFFFAOYSA-N 1 1 343.435 0.747 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)CCNc3ncccn3)CC2)cn1 ZINC000069771464 435966608 /nfs/dbraw/zinc/96/66/08/435966608.db2.gz TWBUQCOCOGHSJS-UHFFFAOYSA-N 1 1 343.435 0.747 50 0 ECAAMO Cc1csc(N2CC[N@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C)n1 ZINC000069871288 435971901 /nfs/dbraw/zinc/97/19/01/435971901.db2.gz PERLYJHXRRAWLE-LSDHHAIUSA-N 1 1 340.493 0.655 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069879017 435974762 /nfs/dbraw/zinc/97/47/62/435974762.db2.gz NOLBCJVDJKNZGO-XGUBFFRZSA-N 1 1 325.453 0.844 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069879017 435974763 /nfs/dbraw/zinc/97/47/63/435974763.db2.gz NOLBCJVDJKNZGO-XGUBFFRZSA-N 1 1 325.453 0.844 50 0 ECAAMO C[N@@H+](CCC(=O)N1CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000069923720 435976266 /nfs/dbraw/zinc/97/62/66/435976266.db2.gz KDVUBVZSTVVCJS-HNNXBMFYSA-N 1 1 333.436 0.626 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)COCCOc2ccccc2)CC1 ZINC000069952147 435980099 /nfs/dbraw/zinc/98/00/99/435980099.db2.gz YSAKROQSZZAPGS-UHFFFAOYSA-N 1 1 336.432 0.997 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000069966781 435980770 /nfs/dbraw/zinc/98/07/70/435980770.db2.gz QEPWCYHBUMNYQN-CYBMUJFWSA-N 1 1 344.415 0.381 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070038404 435981996 /nfs/dbraw/zinc/98/19/96/435981996.db2.gz OKRUBVZUXDBNMI-HNNXBMFYSA-N 1 1 328.416 0.940 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)NCc1ccc2c(c1)OCO2 ZINC000069620962 435951131 /nfs/dbraw/zinc/95/11/31/435951131.db2.gz CEDWXQSBTQOHGZ-AWEZNQCLSA-N 1 1 343.387 0.788 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)NCc1ccc2c(c1)OCO2 ZINC000069620962 435951135 /nfs/dbraw/zinc/95/11/35/435951135.db2.gz CEDWXQSBTQOHGZ-AWEZNQCLSA-N 1 1 343.387 0.788 50 0 ECAAMO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000007016168 436005252 /nfs/dbraw/zinc/00/52/52/436005252.db2.gz OQJOZUHQAXIGFE-UHFFFAOYSA-N 1 1 325.434 0.649 50 0 ECAAMO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000007016168 436005258 /nfs/dbraw/zinc/00/52/58/436005258.db2.gz OQJOZUHQAXIGFE-UHFFFAOYSA-N 1 1 325.434 0.649 50 0 ECAAMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000071196027 436007601 /nfs/dbraw/zinc/00/76/01/436007601.db2.gz DPOHKCRIUXDLDE-UHFFFAOYSA-N 1 1 349.435 0.074 50 0 ECAAMO O=C(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1cccnc1 ZINC000071806087 436012186 /nfs/dbraw/zinc/01/21/86/436012186.db2.gz ACCRPCRXNSGUJM-OAHLLOKOSA-N 1 1 333.436 0.857 50 0 ECAAMO Cc1ccc2nc(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cc(=O)n2c1 ZINC000071864176 436017970 /nfs/dbraw/zinc/01/79/70/436017970.db2.gz IQWAJAVCFSQJSO-HUUCEWRRSA-N 1 1 330.432 0.890 50 0 ECAAMO O=C(Cc1csc(N2CCNC2=O)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839757 436019929 /nfs/dbraw/zinc/01/99/29/436019929.db2.gz NZLCXYAOVZEHLW-ZDUSSCGKSA-N 1 1 349.460 0.912 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000071909770 436027536 /nfs/dbraw/zinc/02/75/36/436027536.db2.gz BHEYYGIOKQEJCD-UHFFFAOYSA-N 1 1 348.447 0.778 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000071909770 436027539 /nfs/dbraw/zinc/02/75/39/436027539.db2.gz BHEYYGIOKQEJCD-UHFFFAOYSA-N 1 1 348.447 0.778 50 0 ECAAMO COc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000071909770 436027542 /nfs/dbraw/zinc/02/75/42/436027542.db2.gz BHEYYGIOKQEJCD-UHFFFAOYSA-N 1 1 348.447 0.778 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000072279884 436039559 /nfs/dbraw/zinc/03/95/59/436039559.db2.gz LYEFRLDZIMNTAP-DZGCQCFKSA-N 1 1 335.452 0.956 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000072279884 436039564 /nfs/dbraw/zinc/03/95/64/436039564.db2.gz LYEFRLDZIMNTAP-DZGCQCFKSA-N 1 1 335.452 0.956 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc2c[nH]nc21 ZINC000072296087 436041489 /nfs/dbraw/zinc/04/14/89/436041489.db2.gz BFVALUFIQAZRJR-UHFFFAOYSA-N 1 1 331.376 0.340 50 0 ECAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000012432281 436051377 /nfs/dbraw/zinc/05/13/77/436051377.db2.gz ALERIIUQQWIOKI-HNNXBMFYSA-N 1 1 349.483 0.602 50 0 ECAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000018240835 436105601 /nfs/dbraw/zinc/10/56/01/436105601.db2.gz BDVQJBIZTIQYRP-LBPRGKRZSA-N 1 1 345.355 0.245 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000074551773 436128428 /nfs/dbraw/zinc/12/84/28/436128428.db2.gz IWYPLRQLNDHXPM-LLVKDONJSA-N 1 1 338.374 0.989 50 0 ECAAMO O=C(c1cccc(-n2cnnn2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023702626 436129434 /nfs/dbraw/zinc/12/94/34/436129434.db2.gz XMKRZSOZLKTBJE-MRXNPFEDSA-N 1 1 342.403 0.599 50 0 ECAAMO Cn1ncc2c1ncnc2NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000024204590 436133225 /nfs/dbraw/zinc/13/32/25/436133225.db2.gz HAMKESHSILXPBB-JSGCOSHPSA-N 1 1 332.408 0.513 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)no1 ZINC000076047314 436185615 /nfs/dbraw/zinc/18/56/15/436185615.db2.gz SFVGKLOCNQLZEQ-CQSZACIVSA-N 1 1 337.424 0.133 50 0 ECAAMO O=C(CC[NH+]1CCN(C(=O)c2ccccc2F)CC1)N1CCOCC1 ZINC000032932836 436247155 /nfs/dbraw/zinc/24/71/55/436247155.db2.gz XVUHJEYNYCXLGW-UHFFFAOYSA-N 1 1 349.406 0.832 50 0 ECAAMO CCOC(=O)NCCC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000032912213 436248214 /nfs/dbraw/zinc/24/82/14/436248214.db2.gz VOOPQGAXCZTRGD-AWEZNQCLSA-N 1 1 329.441 0.986 50 0 ECAAMO C[N@H+](C[C@@H](O)COCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000036430627 436257430 /nfs/dbraw/zinc/25/74/30/436257430.db2.gz PBXSPBSLSXUGSR-UONOGXRCSA-N 1 1 331.409 0.822 50 0 ECAAMO C[N@@H+](C[C@@H](O)COCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000036430627 436257435 /nfs/dbraw/zinc/25/74/35/436257435.db2.gz PBXSPBSLSXUGSR-UONOGXRCSA-N 1 1 331.409 0.822 50 0 ECAAMO CC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000078900205 436282085 /nfs/dbraw/zinc/28/20/85/436282085.db2.gz OVHHOECLNIHIDC-QWHCGFSZSA-N 1 1 349.435 0.325 50 0 ECAAMO CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000078900205 436282090 /nfs/dbraw/zinc/28/20/90/436282090.db2.gz OVHHOECLNIHIDC-QWHCGFSZSA-N 1 1 349.435 0.325 50 0 ECAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000044911448 436352240 /nfs/dbraw/zinc/35/22/40/436352240.db2.gz KJWUIFACXXMIOV-LSDHHAIUSA-N 1 1 348.399 0.882 50 0 ECAAMO CCC(CC)[C@H](CNC(=O)N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000045526383 436368568 /nfs/dbraw/zinc/36/85/68/436368568.db2.gz AJNDKAPFWLQEFC-GJZGRUSLSA-N 1 1 340.468 0.640 50 0 ECAAMO C[C@@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000046955447 436405958 /nfs/dbraw/zinc/40/59/58/436405958.db2.gz HEYCMLFSSRDVQG-QLFBSQMISA-N 1 1 345.509 0.895 50 0 ECAAMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000089374949 436409208 /nfs/dbraw/zinc/40/92/08/436409208.db2.gz AEONWFSNJLQRSG-CQSZACIVSA-N 1 1 346.497 0.251 50 0 ECAAMO O=C(NCCc1cccnc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967815 436356405 /nfs/dbraw/zinc/35/64/05/436356405.db2.gz VJMFWGJRKLZGQF-SJORKVTESA-N 1 1 348.447 0.661 50 0 ECAAMO O=C(NCCc1cccnc1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967821 436357683 /nfs/dbraw/zinc/35/76/83/436357683.db2.gz VJMFWGJRKLZGQF-DLBZAZTESA-N 1 1 348.447 0.661 50 0 ECAAMO CN(C)c1cc(C(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)ccn1 ZINC000047852502 436431192 /nfs/dbraw/zinc/43/11/92/436431192.db2.gz YFQPDAQHPBXNKK-CVEARBPZSA-N 1 1 348.447 0.615 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000048087393 436441082 /nfs/dbraw/zinc/44/10/82/436441082.db2.gz QDPKHMBQLFFFJI-UHFFFAOYSA-N 1 1 346.435 0.753 50 0 ECAAMO Cc1ccnn1-c1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000048272704 436446056 /nfs/dbraw/zinc/44/60/56/436446056.db2.gz WJAVQRCWDNYXGW-UHFFFAOYSA-N 1 1 341.415 0.860 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@@H]1CO ZINC000091320387 436449026 /nfs/dbraw/zinc/44/90/26/436449026.db2.gz OZXAQZKRFTXMKR-ZIAGYGMSSA-N 1 1 341.477 0.755 50 0 ECAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)NC1CCCCC1 ZINC000091548786 436451971 /nfs/dbraw/zinc/45/19/71/436451971.db2.gz RTWBCKZIBUFWIN-GOSISDBHSA-N 1 1 337.464 0.742 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)c3ccc[nH]3)CC[N@H+]2C)CCC1=O ZINC000091754841 436458216 /nfs/dbraw/zinc/45/82/16/436458216.db2.gz PUXHHOSBRJOHRO-GOSISDBHSA-N 1 1 348.447 0.800 50 0 ECAAMO CN(C[C@H]1C[N@H+](CCCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000089755631 436415708 /nfs/dbraw/zinc/41/57/08/436415708.db2.gz PEAPDFPPWYMQTB-INIZCTEOSA-N 1 1 330.436 0.980 50 0 ECAAMO CN(C[C@H]1C[N@@H+](CCCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000089755631 436415711 /nfs/dbraw/zinc/41/57/11/436415711.db2.gz PEAPDFPPWYMQTB-INIZCTEOSA-N 1 1 330.436 0.980 50 0 ECAAMO COc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(N)=O ZINC000089937713 436421243 /nfs/dbraw/zinc/42/12/43/436421243.db2.gz BPQRPMKIDMRVSR-IYNGYCSASA-N 1 1 347.415 0.735 50 0 ECAAMO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000089937825 436422442 /nfs/dbraw/zinc/42/24/42/436422442.db2.gz NPWRHIFHWDRJEV-SUMWQHHRSA-N 1 1 333.432 0.905 50 0 ECAAMO COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000089937825 436422445 /nfs/dbraw/zinc/42/24/45/436422445.db2.gz NPWRHIFHWDRJEV-SUMWQHHRSA-N 1 1 333.432 0.905 50 0 ECAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000095395221 436494586 /nfs/dbraw/zinc/49/45/86/436494586.db2.gz VMSWUJPRTPMWJL-OAHLLOKOSA-N 1 1 339.461 0.707 50 0 ECAAMO CCc1cc(N2CCC([NH2+]C[C@H]3CCC(=O)N3)CC2)nc(N(C)C)n1 ZINC000095510853 436497937 /nfs/dbraw/zinc/49/79/37/436497937.db2.gz BSKAMTLTLBWKQX-OAHLLOKOSA-N 1 1 346.479 0.942 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095521415 436498498 /nfs/dbraw/zinc/49/84/98/436498498.db2.gz PMXASFCSUHWYEJ-GFCCVEGCSA-N 1 1 328.438 0.671 50 0 ECAAMO OCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccco2)CC1 ZINC000097199986 436541580 /nfs/dbraw/zinc/54/15/80/436541580.db2.gz NDUANHAULQGJNQ-UHFFFAOYSA-N 1 1 328.376 0.734 50 0 ECAAMO Cc1nc2c(cnn2C)c(N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000106978426 436606418 /nfs/dbraw/zinc/60/64/18/436606418.db2.gz WFMHEDMQVZEEJP-AWEZNQCLSA-N 1 1 330.436 0.955 50 0 ECAAMO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3C[N@H+](C)C[C@@H]3C)ccc21 ZINC000107142615 436608620 /nfs/dbraw/zinc/60/86/20/436608620.db2.gz LPGUKQDSTGJXOX-XHDPSFHLSA-N 1 1 337.445 0.824 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000060561830 436633720 /nfs/dbraw/zinc/63/37/20/436633720.db2.gz IESBITZIEDMCJD-GJZGRUSLSA-N 1 1 345.509 0.896 50 0 ECAAMO C[N@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000065422730 436659964 /nfs/dbraw/zinc/65/99/64/436659964.db2.gz ONNMYCBQWVNFBX-UHFFFAOYSA-N 1 1 333.436 0.765 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000065393655 436658149 /nfs/dbraw/zinc/65/81/49/436658149.db2.gz OOHQMFYMYSMHAN-RDTXWAMCSA-N 1 1 331.416 0.615 50 0 ECAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccccc2-n2cncn2)C1 ZINC000223035609 436705393 /nfs/dbraw/zinc/70/53/93/436705393.db2.gz OIBYDNJTGAZFHD-MRXNPFEDSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccccc1-n1cncn1)[C@@H]1CC[N@H+](C)C1 ZINC000223035609 436705397 /nfs/dbraw/zinc/70/53/97/436705397.db2.gz OIBYDNJTGAZFHD-MRXNPFEDSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccccc1-n1cncn1)[C@@H]1CC[N@@H+](C)C1 ZINC000223035609 436705399 /nfs/dbraw/zinc/70/53/99/436705399.db2.gz OIBYDNJTGAZFHD-MRXNPFEDSA-N 1 1 342.447 0.910 50 0 ECAAMO COc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000225627227 436712059 /nfs/dbraw/zinc/71/20/59/436712059.db2.gz FJYRETLVDCSQMY-CQSZACIVSA-N 1 1 340.445 0.915 50 0 ECAAMO CC(C)[N@@H+](C)CC(=O)NCCS(=O)(=O)NCc1ccc(F)cc1 ZINC000065538788 436666270 /nfs/dbraw/zinc/66/62/70/436666270.db2.gz RAGKQUMUALGQPL-UHFFFAOYSA-N 1 1 345.440 0.702 50 0 ECAAMO CC(C)(C)OC(=O)C1(S(=O)(=O)N2CC[NH2+]CC2)CCOCC1 ZINC000142148345 436671636 /nfs/dbraw/zinc/67/16/36/436671636.db2.gz ZWULIXQENYLFTJ-UHFFFAOYSA-N 1 1 334.438 0.112 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000229311833 436714614 /nfs/dbraw/zinc/71/46/14/436714614.db2.gz GIDLCUJLARKGLX-ABAIWWIYSA-N 1 1 337.445 0.591 50 0 ECAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000067786294 436723794 /nfs/dbraw/zinc/72/37/94/436723794.db2.gz LXKULAABSKWQRM-HNNXBMFYSA-N 1 1 349.479 0.849 50 0 ECAAMO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cnc[nH]3)CC2)C1 ZINC000067786294 436723797 /nfs/dbraw/zinc/72/37/97/436723797.db2.gz LXKULAABSKWQRM-HNNXBMFYSA-N 1 1 349.479 0.849 50 0 ECAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cnc[nH]3)CC2)C1 ZINC000067786294 436723799 /nfs/dbraw/zinc/72/37/99/436723799.db2.gz LXKULAABSKWQRM-HNNXBMFYSA-N 1 1 349.479 0.849 50 0 ECAAMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000241157276 436758677 /nfs/dbraw/zinc/75/86/77/436758677.db2.gz JWISHKZGVJGQBN-JCGIZDLHSA-N 1 1 345.443 0.701 50 0 ECAAMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000241157276 436758680 /nfs/dbraw/zinc/75/86/80/436758680.db2.gz JWISHKZGVJGQBN-JCGIZDLHSA-N 1 1 345.443 0.701 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229560782 436717195 /nfs/dbraw/zinc/71/71/95/436717195.db2.gz IPYYXXKTDCSNBX-YESZJQIVSA-N 1 1 325.453 0.155 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CSc3ccccc3O2)CC1 ZINC000069570881 436781487 /nfs/dbraw/zinc/78/14/87/436781487.db2.gz YIOOEKKHYQZWIR-AWEZNQCLSA-N 1 1 349.456 0.866 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248081326 436799646 /nfs/dbraw/zinc/79/96/46/436799646.db2.gz AKQPSHFVGUPNRV-RRFJBIMHSA-N 1 1 343.493 0.743 50 0 ECAAMO CC(C)[C@H](OC[C@H]1CCCO1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000248179046 436800816 /nfs/dbraw/zinc/80/08/16/436800816.db2.gz XMHCLWMKXFPGPJ-XHSDSOJGSA-N 1 1 328.453 0.732 50 0 ECAAMO Cn1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000179120721 437250729 /nfs/dbraw/zinc/25/07/29/437250729.db2.gz OMRLKIWKQKWBPZ-HNNXBMFYSA-N 1 1 342.399 0.321 50 0 ECAAMO Cn1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000179120721 437250731 /nfs/dbraw/zinc/25/07/31/437250731.db2.gz OMRLKIWKQKWBPZ-HNNXBMFYSA-N 1 1 342.399 0.321 50 0 ECAAMO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@H+]1Cc1ccccc1 ZINC000185642593 437447220 /nfs/dbraw/zinc/44/72/20/437447220.db2.gz IJRYPPRTWXQBMA-ORQFMDKSSA-N 1 1 333.432 0.787 50 0 ECAAMO O=C(NCCCO)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426486478 438060145 /nfs/dbraw/zinc/06/01/45/438060145.db2.gz UXPYQKYIHFFQSV-URSIVYNOSA-N 1 1 344.459 0.236 50 0 ECAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000534654271 439531707 /nfs/dbraw/zinc/53/17/07/439531707.db2.gz DNXRWLGIPMPCOQ-MRXNPFEDSA-N 1 1 344.415 0.891 50 0 ECAAMO CCCc1ncncc1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000215114847 535548557 /nfs/dbraw/zinc/54/85/57/535548557.db2.gz WOGWRDIOJLWYIO-UHFFFAOYSA-N 1 1 345.447 0.902 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000244831515 536075792 /nfs/dbraw/zinc/07/57/92/536075792.db2.gz UFEMOGMRSJXYNW-LBPRGKRZSA-N 1 1 328.438 0.643 50 0 ECAAMO CNc1ncc(CN(C)c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)cn1 ZINC000216450767 536423420 /nfs/dbraw/zinc/42/34/20/536423420.db2.gz SOZODDSBNXGAEO-CYBMUJFWSA-N 1 1 329.408 0.906 50 0 ECAAMO C[N@H+]1CCN(c2ccnc(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230180638 536424669 /nfs/dbraw/zinc/42/46/69/536424669.db2.gz ALEUPZPGFYLWAY-GOSISDBHSA-N 1 1 344.463 0.972 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000670437134 548010787 /nfs/dbraw/zinc/01/07/87/548010787.db2.gz XSBMPWXXZNHCBI-OAHLLOKOSA-N 1 1 336.480 0.531 50 0 ECAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccno1 ZINC000670473509 548018749 /nfs/dbraw/zinc/01/87/49/548018749.db2.gz QYMLXZLIYTUSOQ-KGYZHSKHSA-N 1 1 338.411 0.972 50 0 ECAAMO Cn1ncc(N2CCC[C@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1=O ZINC000169763183 609745258 /nfs/dbraw/zinc/74/52/58/609745258.db2.gz ANDMDCXIKALGMJ-CQSZACIVSA-N 1 1 333.436 0.161 50 0 ECAAMO CC[NH+]1CCN(C(=O)C[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000169792145 609747559 /nfs/dbraw/zinc/74/75/59/609747559.db2.gz QEPYJSMCDDSXHY-HNNXBMFYSA-N 1 1 347.463 0.551 50 0 ECAAMO CC[NH+]1CCN(C(=O)C[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000169792146 609747580 /nfs/dbraw/zinc/74/75/80/609747580.db2.gz QEPYJSMCDDSXHY-OAHLLOKOSA-N 1 1 347.463 0.551 50 0 ECAAMO CSCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC000952989581 612140281 /nfs/dbraw/zinc/14/02/81/612140281.db2.gz RZBDIOYKTSZUAO-CYBMUJFWSA-N 1 1 342.509 0.127 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000952973157 612139155 /nfs/dbraw/zinc/13/91/55/612139155.db2.gz BPJKULKSEYUNHD-OAHLLOKOSA-N 1 1 336.411 0.906 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)C1 ZINC000952984236 612140193 /nfs/dbraw/zinc/14/01/93/612140193.db2.gz ZCOORHATSFHGIV-QWHCGFSZSA-N 1 1 347.419 0.086 50 0 ECAAMO O[C@H]1C[N@@H+](Cc2cc(F)ccc2-n2cccn2)C[C@@H]1N1CCOCC1 ZINC000022852580 735523094 /nfs/dbraw/zinc/52/30/94/735523094.db2.gz YLLAFGHXYGZSDT-ROUUACIJSA-N 1 1 346.406 0.889 50 0 ECAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299774000 742099163 /nfs/dbraw/zinc/09/91/63/742099163.db2.gz DHHYSLRWVGIUSY-LBPRGKRZSA-N 1 1 349.435 0.310 50 0 ECAAMO COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000051204640 214083527 /nfs/dbraw/zinc/08/35/27/214083527.db2.gz JBBVEAUETVJUHY-QGZVFWFLSA-N 1 1 347.459 0.796 50 0 ECAAMO COc1ccc(CCNC(=O)[C@@H](C)N2CC[NH+](CCO)CC2)cc1 ZINC000052636045 214137445 /nfs/dbraw/zinc/13/74/45/214137445.db2.gz BSTWVOQQDZBOSE-OAHLLOKOSA-N 1 1 335.448 0.352 50 0 ECAAMO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000052636047 214138489 /nfs/dbraw/zinc/13/84/89/214138489.db2.gz JRRHTQNQCUZQMF-CYBMUJFWSA-N 1 1 325.840 0.955 50 0 ECAAMO NC(=O)C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000052844022 214149927 /nfs/dbraw/zinc/14/99/27/214149927.db2.gz YEDVXWMXKLMKBP-HNNXBMFYSA-N 1 1 331.416 0.836 50 0 ECAAMO NC(=O)C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000052844022 214149930 /nfs/dbraw/zinc/14/99/30/214149930.db2.gz YEDVXWMXKLMKBP-HNNXBMFYSA-N 1 1 331.416 0.836 50 0 ECAAMO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000053639763 214191469 /nfs/dbraw/zinc/19/14/69/214191469.db2.gz XHNRZHKDCHEDAY-BXUZGUMPSA-N 1 1 349.435 0.670 50 0 ECAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c3nc(C)nn3c1=O)C2 ZINC000102779616 219230236 /nfs/dbraw/zinc/23/02/36/219230236.db2.gz XIQKMZPXCMAXPU-CHWSQXEVSA-N 1 1 344.419 0.672 50 0 ECAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1sccc1S(N)(=O)=O)C2 ZINC000067712572 215190670 /nfs/dbraw/zinc/19/06/70/215190670.db2.gz VACVCWGUNZZLBZ-AWEZNQCLSA-N 1 1 343.474 0.953 50 0 ECAAMO CN1CCN([C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2O)CC1 ZINC000067757722 215206019 /nfs/dbraw/zinc/20/60/19/215206019.db2.gz JWNREPUPVXXXCC-HOTGVXAUSA-N 1 1 331.420 0.462 50 0 ECAAMO CCc1oc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cc1CN1CCCC1 ZINC000067821073 215221266 /nfs/dbraw/zinc/22/12/66/215221266.db2.gz RUWSKPPZSHJLJR-KBPBESRZSA-N 1 1 348.447 0.726 50 0 ECAAMO CN(C[C@@]1(C)CC[N@@H+](C)C1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067975663 215265027 /nfs/dbraw/zinc/26/50/27/215265027.db2.gz BYFUVXLWENBYNC-KRWDZBQOSA-N 1 1 336.436 0.921 50 0 ECAAMO Cc1nnc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000040526518 213336331 /nfs/dbraw/zinc/33/63/31/213336331.db2.gz KNWMVVSIQHBPMU-NEPJUHHUSA-N 1 1 341.437 0.705 50 0 ECAAMO CCn1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cn1 ZINC000039466742 213238357 /nfs/dbraw/zinc/23/83/57/213238357.db2.gz UIUIFLUMSBKUTB-GOSISDBHSA-N 1 1 335.496 0.866 50 0 ECAAMO CCn1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cn1 ZINC000039466742 213238361 /nfs/dbraw/zinc/23/83/61/213238361.db2.gz UIUIFLUMSBKUTB-GOSISDBHSA-N 1 1 335.496 0.866 50 0 ECAAMO CCCc1nc2c(cnn2C)c(N2CCN3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000072146248 216032161 /nfs/dbraw/zinc/03/21/61/216032161.db2.gz JEICPOVHGNEQQQ-CYBMUJFWSA-N 1 1 329.452 0.752 50 0 ECAAMO O=C(CCc1cc(Cl)no1)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072152476 216040455 /nfs/dbraw/zinc/04/04/55/216040455.db2.gz HQECTEHCBAJOLX-GFCCVEGCSA-N 1 1 340.811 0.683 50 0 ECAAMO NC(=O)COc1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(CO)CC1 ZINC000072152405 216041145 /nfs/dbraw/zinc/04/11/45/216041145.db2.gz OFIMUOKSGKLFIU-MRXNPFEDSA-N 1 1 342.823 0.913 50 0 ECAAMO Cc1cc(C)n(CCCC(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)n1 ZINC000072153753 216041906 /nfs/dbraw/zinc/04/19/06/216041906.db2.gz HJRXFXYOTAEEFW-OAHLLOKOSA-N 1 1 333.436 0.359 50 0 ECAAMO COCC1(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NCc2ccncc2)CCC1 ZINC000072157145 216047416 /nfs/dbraw/zinc/04/74/16/216047416.db2.gz FYTMOPHZZPXUMP-OAHLLOKOSA-N 1 1 346.431 0.315 50 0 ECAAMO COc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)cc1OC ZINC000072170524 216061897 /nfs/dbraw/zinc/06/18/97/216061897.db2.gz GERHOOIPSCYKPM-CQSZACIVSA-N 1 1 347.415 0.325 50 0 ECAAMO CCc1nc(SCC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)n[nH]1 ZINC000072170452 216062569 /nfs/dbraw/zinc/06/25/69/216062569.db2.gz WIRDRPCBCNJDMI-HNNXBMFYSA-N 1 1 341.481 0.764 50 0 ECAAMO CCc1n[nH]c(SCC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000072170452 216062572 /nfs/dbraw/zinc/06/25/72/216062572.db2.gz WIRDRPCBCNJDMI-HNNXBMFYSA-N 1 1 341.481 0.764 50 0 ECAAMO COc1cccc(OCC(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)c1 ZINC000072173660 216063718 /nfs/dbraw/zinc/06/37/18/216063718.db2.gz LLQDGVWKIMGSSR-HNNXBMFYSA-N 1 1 333.388 0.153 50 0 ECAAMO Nc1nc2c(c(N3CCC[C@@H](CN4CCOCC4)C3)n1)CC[NH2+]CC2 ZINC000072421590 216210448 /nfs/dbraw/zinc/21/04/48/216210448.db2.gz CIOGVZGHKHHEBV-AWEZNQCLSA-N 1 1 346.479 0.296 50 0 ECAAMO CCNc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)cn1 ZINC000072422303 216211118 /nfs/dbraw/zinc/21/11/18/216211118.db2.gz XGUGWRXZKVMIGU-JKSUJKDBSA-N 1 1 346.479 0.941 50 0 ECAAMO O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072457613 216243123 /nfs/dbraw/zinc/24/31/23/216243123.db2.gz HIHWWTAAMWWMSJ-HNNXBMFYSA-N 1 1 338.371 0.192 50 0 ECAAMO CN1C[C@@]2(CCCN(c3nc(N4CCC(O)CC4)cc[nH+]3)C2)OC1=O ZINC000072463063 216245955 /nfs/dbraw/zinc/24/59/55/216245955.db2.gz NIBJZVFEFSYMTE-QGZVFWFLSA-N 1 1 347.419 0.859 50 0 ECAAMO O=C(CCC(=O)NCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000023504944 212379625 /nfs/dbraw/zinc/37/96/25/212379625.db2.gz NOMUCCHWMSKBTH-UHFFFAOYSA-N 1 1 347.459 0.964 50 0 ECAAMO O=C(CC1OCCCO1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000193701704 240271736 /nfs/dbraw/zinc/27/17/36/240271736.db2.gz WJIOFEDOJGBBOV-HZPDHXFCSA-N 1 1 334.416 0.891 50 0 ECAAMO CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000229714230 242192303 /nfs/dbraw/zinc/19/23/03/242192303.db2.gz GIVUSPMWCIWXJP-KGLIPLIRSA-N 1 1 329.466 0.401 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(C)C1=O ZINC000230091242 242228336 /nfs/dbraw/zinc/22/83/36/242228336.db2.gz OPFRXUVXVHSFFW-WFASDCNBSA-N 1 1 344.415 0.421 50 0 ECAAMO COc1ccc(OCC[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)cc1 ZINC000244794840 243081923 /nfs/dbraw/zinc/08/19/23/243081923.db2.gz QUYPWHBWTAKJRE-UHFFFAOYSA-N 1 1 344.415 0.990 50 0 ECAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[N@@H+](C)CC[C@H]2O)n1 ZINC000020538941 212146011 /nfs/dbraw/zinc/14/60/11/212146011.db2.gz XJMLUMCMQOWSKW-GHMZBOCLSA-N 1 1 346.353 0.775 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900919 217144032 /nfs/dbraw/zinc/14/40/32/217144032.db2.gz AEOSNUJMLPODBQ-GFCCVEGCSA-N 1 1 345.403 0.940 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900919 217144034 /nfs/dbraw/zinc/14/40/34/217144034.db2.gz AEOSNUJMLPODBQ-GFCCVEGCSA-N 1 1 345.403 0.940 50 0 ECAAMO COc1coc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1=O ZINC000091434286 218004827 /nfs/dbraw/zinc/00/48/27/218004827.db2.gz LKSBGLRNXZAODI-SFHVURJKSA-N 1 1 349.431 0.777 50 0 ECAAMO Cc1cc(C)nc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n1 ZINC000091574721 218023462 /nfs/dbraw/zinc/02/34/62/218023462.db2.gz XPXSBKKMSKPXOX-IAGOWNOFSA-N 1 1 333.480 0.776 50 0 ECAAMO Cc1cc(C)nc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1 ZINC000091574721 218023465 /nfs/dbraw/zinc/02/34/65/218023465.db2.gz XPXSBKKMSKPXOX-IAGOWNOFSA-N 1 1 333.480 0.776 50 0 ECAAMO Cc1cc(C)nc(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1 ZINC000091574721 218023469 /nfs/dbraw/zinc/02/34/69/218023469.db2.gz XPXSBKKMSKPXOX-IAGOWNOFSA-N 1 1 333.480 0.776 50 0 ECAAMO Cn1cccc1-c1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC000091626238 218035428 /nfs/dbraw/zinc/03/54/28/218035428.db2.gz GDZBMEVYIQLOGT-LBPRGKRZSA-N 1 1 344.419 0.342 50 0 ECAAMO O=C(Cn1cnnn1)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000091807550 218068383 /nfs/dbraw/zinc/06/83/83/218068383.db2.gz FVASDGBSUDKIBZ-UHFFFAOYSA-N 1 1 344.423 0.334 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000095351117 218286379 /nfs/dbraw/zinc/28/63/79/218286379.db2.gz ZZSRSZQMFVJRTA-SNVBAGLBSA-N 1 1 348.428 0.748 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c(=O)n(C)c1=O ZINC000095351117 218286381 /nfs/dbraw/zinc/28/63/81/218286381.db2.gz ZZSRSZQMFVJRTA-SNVBAGLBSA-N 1 1 348.428 0.748 50 0 ECAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000095374522 218307909 /nfs/dbraw/zinc/30/79/09/218307909.db2.gz CIDZJIDNSCNBHF-CYBMUJFWSA-N 1 1 334.424 0.211 50 0 ECAAMO Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095372422 218305583 /nfs/dbraw/zinc/30/55/83/218305583.db2.gz BVUAVBKPNFXTLS-AWEZNQCLSA-N 1 1 334.420 0.979 50 0 ECAAMO CN(C)C(=O)N1CCC[C@H](c2nc(CN3CC[NH+](C)CC3)no2)C1 ZINC000095382562 218314709 /nfs/dbraw/zinc/31/47/09/218314709.db2.gz IKVUXMYHMULISC-ZDUSSCGKSA-N 1 1 336.440 0.678 50 0 ECAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000095385200 218316703 /nfs/dbraw/zinc/31/67/03/218316703.db2.gz BFIPRBFUODYFPX-INIZCTEOSA-N 1 1 334.468 0.687 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000241588114 258000832 /nfs/dbraw/zinc/00/08/32/258000832.db2.gz OZTOACISTCUQGA-LSDHHAIUSA-N 1 1 343.493 0.791 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000299782723 258091029 /nfs/dbraw/zinc/09/10/29/258091029.db2.gz XPKDXPDHDYGMPR-AWEZNQCLSA-N 1 1 347.415 0.675 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000299782723 258091031 /nfs/dbraw/zinc/09/10/31/258091031.db2.gz XPKDXPDHDYGMPR-AWEZNQCLSA-N 1 1 347.415 0.675 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000299782743 258091312 /nfs/dbraw/zinc/09/13/12/258091312.db2.gz XPKDXPDHDYGMPR-CQSZACIVSA-N 1 1 347.415 0.675 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000299782743 258091313 /nfs/dbraw/zinc/09/13/13/258091313.db2.gz XPKDXPDHDYGMPR-CQSZACIVSA-N 1 1 347.415 0.675 50 0 ECAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000299799157 258103229 /nfs/dbraw/zinc/10/32/29/258103229.db2.gz PTXZKVYQFAXBQI-TXEJJXNPSA-N 1 1 334.420 0.875 50 0 ECAAMO C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000170614459 258071217 /nfs/dbraw/zinc/07/12/17/258071217.db2.gz CHOWDJWSXBWUEP-GFCCVEGCSA-N 1 1 345.403 0.917 50 0 ECAAMO NC(=O)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000248768446 165186756 /nfs/dbraw/zinc/18/67/56/165186756.db2.gz SDXCQFMXYPZBJQ-JKSUJKDBSA-N 1 1 346.431 0.404 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@H]2C1 ZINC000285935477 264353021 /nfs/dbraw/zinc/35/30/21/264353021.db2.gz VIGQNLACHAXGID-JKSUJKDBSA-N 1 1 342.399 0.328 50 0 ECAAMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189436243 437599600 /nfs/dbraw/zinc/59/96/00/437599600.db2.gz WCDNRBFWLJZPMG-GOSISDBHSA-N 1 1 345.443 0.798 50 0 ECAAMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2cccnc2)n2ncnc2N1 ZINC000013551385 278481475 /nfs/dbraw/zinc/48/14/75/278481475.db2.gz HBOGJNOBNATKAS-HNNXBMFYSA-N 1 1 339.403 0.736 50 0 ECAAMO CCOCC[N@H+]1CCN(CC(=O)Nc2nncs2)C[C@@H]1CC ZINC000069698108 435958803 /nfs/dbraw/zinc/95/88/03/435958803.db2.gz PRRJZAXETITAJB-LBPRGKRZSA-N 1 1 327.454 0.909 50 0 ECAAMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000069697404 435960472 /nfs/dbraw/zinc/96/04/72/435960472.db2.gz DNSHNVUUWQRKAZ-UHFFFAOYSA-N 1 1 347.415 0.466 50 0 ECAAMO C[C@@H]1CN(CCCS(N)(=O)=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738895 435961754 /nfs/dbraw/zinc/96/17/54/435961754.db2.gz SFNAQUCZIJPDCQ-ZBFHGGJFSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CCN1C[C@H](O)c1ccccc1 ZINC000069738895 435961761 /nfs/dbraw/zinc/96/17/61/435961761.db2.gz SFNAQUCZIJPDCQ-ZBFHGGJFSA-N 1 1 341.477 0.405 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)CCN1C[C@H](O)c1ccccc1 ZINC000069738895 435961765 /nfs/dbraw/zinc/96/17/65/435961765.db2.gz SFNAQUCZIJPDCQ-ZBFHGGJFSA-N 1 1 341.477 0.405 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCc1c(F)cccc1F ZINC000069771988 435966100 /nfs/dbraw/zinc/96/61/00/435966100.db2.gz UCIULNSKERPYLN-UHFFFAOYSA-N 1 1 327.375 0.233 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069780259 435966407 /nfs/dbraw/zinc/96/64/07/435966407.db2.gz VCDISGKJWIIFCU-CHWSQXEVSA-N 1 1 337.386 0.834 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000069778256 435966431 /nfs/dbraw/zinc/96/64/31/435966431.db2.gz IACTVDIIGXXYAA-LBPRGKRZSA-N 1 1 330.388 0.452 50 0 ECAAMO O[C@H](C[NH+]1CCN(Cc2nnnn2C2CC2)CC1)c1ccccc1 ZINC000069818054 435967244 /nfs/dbraw/zinc/96/72/44/435967244.db2.gz XNPBVVALXZOVPG-MRXNPFEDSA-N 1 1 328.420 0.859 50 0 ECAAMO Cc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000069817902 435967721 /nfs/dbraw/zinc/96/77/21/435967721.db2.gz RXIGLABPYBYQHJ-INIZCTEOSA-N 1 1 330.432 0.873 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069818375 435968032 /nfs/dbraw/zinc/96/80/32/435968032.db2.gz NOICWJZRQCBQMT-ZBFHGGJFSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069818375 435968038 /nfs/dbraw/zinc/96/80/38/435968038.db2.gz NOICWJZRQCBQMT-ZBFHGGJFSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@H](O)CN1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000070037022 435981834 /nfs/dbraw/zinc/98/18/34/435981834.db2.gz AHISNTMKSFZAHV-HOCLYGCPSA-N 1 1 326.412 0.702 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000070040766 435986910 /nfs/dbraw/zinc/98/69/10/435986910.db2.gz VGFMUFRTCHYUKM-MRXNPFEDSA-N 1 1 333.436 0.347 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000069617768 435951273 /nfs/dbraw/zinc/95/12/73/435951273.db2.gz NXRFLQIUDWPMEE-CQSZACIVSA-N 1 1 346.435 0.347 50 0 ECAAMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(C)c3c2)C1 ZINC000069601808 435952399 /nfs/dbraw/zinc/95/23/99/435952399.db2.gz OLCHQFAMJYWSKK-LBPRGKRZSA-N 1 1 346.387 0.671 50 0 ECAAMO CCCc1cnc(C)nc1N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000071749825 436011443 /nfs/dbraw/zinc/01/14/43/436011443.db2.gz MYMIOIGTCZZCIA-IAGOWNOFSA-N 1 1 333.480 0.925 50 0 ECAAMO Cc1ccc2nc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)cc(=O)n2c1 ZINC000071830540 436015055 /nfs/dbraw/zinc/01/50/55/436015055.db2.gz WKXPGXXMZGAOHQ-HNNXBMFYSA-N 1 1 341.415 0.993 50 0 ECAAMO Cc1ccc2nc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)cc(=O)n2c1 ZINC000071830540 436015060 /nfs/dbraw/zinc/01/50/60/436015060.db2.gz WKXPGXXMZGAOHQ-HNNXBMFYSA-N 1 1 341.415 0.993 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 ZINC000071871310 436021446 /nfs/dbraw/zinc/02/14/46/436021446.db2.gz MWXMTNBQGQVBQI-LBPRGKRZSA-N 1 1 326.828 0.696 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC000071875120 436022156 /nfs/dbraw/zinc/02/21/56/436022156.db2.gz SHQUBOBKFHFIHJ-HUUCEWRRSA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC000071875120 436022159 /nfs/dbraw/zinc/02/21/59/436022159.db2.gz SHQUBOBKFHFIHJ-HUUCEWRRSA-N 1 1 348.451 0.226 50 0 ECAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000071870532 436022194 /nfs/dbraw/zinc/02/21/94/436022194.db2.gz CDSZOTKHNNDPGZ-LBPRGKRZSA-N 1 1 333.392 0.685 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000071875862 436022551 /nfs/dbraw/zinc/02/25/51/436022551.db2.gz XYLWBLFMPYLBDM-DOTOQJQBSA-N 1 1 347.463 0.735 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000071879587 436023689 /nfs/dbraw/zinc/02/36/89/436023689.db2.gz SQEYPGCWXLHVOY-ZIAGYGMSSA-N 1 1 330.432 0.853 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000071880965 436024361 /nfs/dbraw/zinc/02/43/61/436024361.db2.gz RCFBEWCVCZRMFE-ZBFHGGJFSA-N 1 1 337.464 0.693 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000071881107 436024420 /nfs/dbraw/zinc/02/44/20/436024420.db2.gz NOSGVQATFUJMEQ-MRXNPFEDSA-N 1 1 329.404 0.796 50 0 ECAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](OCC(N)=O)C1 ZINC000072313479 436043234 /nfs/dbraw/zinc/04/32/34/436043234.db2.gz ZQBIYPJZOUVKNF-YPMHNXCESA-N 1 1 337.445 0.598 50 0 ECAAMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H](OCC(N)=O)C1 ZINC000072313479 436043239 /nfs/dbraw/zinc/04/32/39/436043239.db2.gz ZQBIYPJZOUVKNF-YPMHNXCESA-N 1 1 337.445 0.598 50 0 ECAAMO C[NH+]1CCN(c2ccnc(SCC(=O)N3CCOCC3)n2)CC1 ZINC000012249790 436046408 /nfs/dbraw/zinc/04/64/08/436046408.db2.gz PNNABIHKWBBNSP-UHFFFAOYSA-N 1 1 337.449 0.179 50 0 ECAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCn1cccn1 ZINC000012584590 436050728 /nfs/dbraw/zinc/05/07/28/436050728.db2.gz QRSHBPWVULFMLD-OAHLLOKOSA-N 1 1 335.452 0.626 50 0 ECAAMO C[C@@H](O)[C@@H]1NC(=O)[C@H]2C[N@@H+](CCCc3ccccc3)CCN2C1=O ZINC000014744447 436076555 /nfs/dbraw/zinc/07/65/55/436076555.db2.gz NBAGJNCTJQDOPD-BMFZPTHFSA-N 1 1 331.416 0.011 50 0 ECAAMO O=C(NC(=S)N1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000025265430 436148198 /nfs/dbraw/zinc/14/81/98/436148198.db2.gz MRKMWNWXNADTOR-UHFFFAOYSA-N 1 1 327.837 0.965 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000075131943 436151917 /nfs/dbraw/zinc/15/19/17/436151917.db2.gz YTXCAZSOJPXGHT-GDBMZVCRSA-N 1 1 348.451 0.212 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)N1CCN(C[C@@H]2COCCO2)CC1)c1ccccc1 ZINC000075138211 436152121 /nfs/dbraw/zinc/15/21/21/436152121.db2.gz GRHLBVBOADDYJM-QZTJIDSGSA-N 1 1 347.459 0.849 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(N2CCN(C)C2=O)CC1 ZINC000075132936 436153461 /nfs/dbraw/zinc/15/34/61/436153461.db2.gz LOCIVAAAAYQBRV-UKRRQHHQSA-N 1 1 338.452 0.502 50 0 ECAAMO C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CO2)C[NH+]1CCOCC1 ZINC000075143406 436153969 /nfs/dbraw/zinc/15/39/69/436153969.db2.gz UYCFCEWGTFTWLF-GFCCVEGCSA-N 1 1 333.388 0.716 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000026162520 436160084 /nfs/dbraw/zinc/16/00/84/436160084.db2.gz YSKCROZEDXUYGZ-LLVKDONJSA-N 1 1 337.376 0.399 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000026162520 436160088 /nfs/dbraw/zinc/16/00/88/436160088.db2.gz YSKCROZEDXUYGZ-LLVKDONJSA-N 1 1 337.376 0.399 50 0 ECAAMO Cc1nnnn1CCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000077357062 436233569 /nfs/dbraw/zinc/23/35/69/436233569.db2.gz BMDPWGQKLULFQO-INIZCTEOSA-N 1 1 328.420 0.887 50 0 ECAAMO Cc1c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cnn1C ZINC000032334074 436237746 /nfs/dbraw/zinc/23/77/46/436237746.db2.gz JVXBXSYZJPCSGU-UHFFFAOYSA-N 1 1 343.435 0.461 50 0 ECAAMO C[C@](O)(CNC(=O)[C@@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000076092360 436191052 /nfs/dbraw/zinc/19/10/52/436191052.db2.gz SCVBSPLZOBWYDC-QAPCUYQASA-N 1 1 334.416 0.752 50 0 ECAAMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000030154008 436214151 /nfs/dbraw/zinc/21/41/51/436214151.db2.gz IUECBEDGDMQSPR-UHFFFAOYSA-N 1 1 344.459 0.461 50 0 ECAAMO CN(C)C(C)(C)C[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000079108792 436289106 /nfs/dbraw/zinc/28/91/06/436289106.db2.gz RPIPVVWAJNNRNB-HNNXBMFYSA-N 1 1 328.482 0.847 50 0 ECAAMO O=C(CN1C(=O)CSc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000033851760 436252688 /nfs/dbraw/zinc/25/26/88/436252688.db2.gz ZRASUIHQZWNRFA-UHFFFAOYSA-N 1 1 349.456 0.964 50 0 ECAAMO NC(=O)NCC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082138695 436362695 /nfs/dbraw/zinc/36/26/95/436362695.db2.gz IFYVNGGWINXSPC-UHFFFAOYSA-N 1 1 348.451 0.706 50 0 ECAAMO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(N4CCOCC4)c3)C2)C(=O)N1 ZINC000082161477 436363371 /nfs/dbraw/zinc/36/33/71/436363371.db2.gz BLHPYFZDEBCMQX-GOSISDBHSA-N 1 1 329.400 0.762 50 0 ECAAMO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2=O)cc1 ZINC000082156992 436363434 /nfs/dbraw/zinc/36/34/34/436363434.db2.gz SIHCORLJMUIYQW-MRXNPFEDSA-N 1 1 331.416 0.627 50 0 ECAAMO Cc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](O)C3)CC2=O)cc1 ZINC000082156992 436363437 /nfs/dbraw/zinc/36/34/37/436363437.db2.gz SIHCORLJMUIYQW-MRXNPFEDSA-N 1 1 331.416 0.627 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089375364 436408955 /nfs/dbraw/zinc/40/89/55/436408955.db2.gz JUZMJZWZUNTOSE-CVEARBPZSA-N 1 1 331.416 0.624 50 0 ECAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000048035270 436439286 /nfs/dbraw/zinc/43/92/86/436439286.db2.gz XDLNVOWWPGJHNS-YPMHNXCESA-N 1 1 335.404 0.516 50 0 ECAAMO COCC(=O)N1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091325741 436448969 /nfs/dbraw/zinc/44/89/69/436448969.db2.gz IXORURYBFISJMV-UHFFFAOYSA-N 1 1 332.408 0.721 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)CC[C@@]1(O)C1CCOCC1 ZINC000091846140 436463395 /nfs/dbraw/zinc/46/33/95/436463395.db2.gz YVNHHRODSAQDSE-ZBFHGGJFSA-N 1 1 348.509 0.767 50 0 ECAAMO O=C(COCc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092021404 436464427 /nfs/dbraw/zinc/46/44/27/436464427.db2.gz TXMIRKPMUWNXLJ-QZTJIDSGSA-N 1 1 348.443 0.602 50 0 ECAAMO O=C(CCc1cn[nH]c1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091908103 436465297 /nfs/dbraw/zinc/46/52/97/436465297.db2.gz MFTZPRSQHYTJBE-HZPDHXFCSA-N 1 1 336.436 0.132 50 0 ECAAMO O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000089834779 436418365 /nfs/dbraw/zinc/41/83/65/436418365.db2.gz WVDJIASFOLGTLV-IAGOWNOFSA-N 1 1 343.427 0.721 50 0 ECAAMO NC1=NC(=O)C2(CCN(C(=O)[C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)N1 ZINC000095366838 436491860 /nfs/dbraw/zinc/49/18/60/436491860.db2.gz UHNAMOYLVUXWKR-CYBMUJFWSA-N 1 1 347.463 0.447 50 0 ECAAMO CCN1CC[NH+](C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2CO)CC1 ZINC000095368386 436492292 /nfs/dbraw/zinc/49/22/92/436492292.db2.gz COFVAVDIAAQCPQ-IAGOWNOFSA-N 1 1 333.480 0.776 50 0 ECAAMO Cc1cc(CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000095431038 436494598 /nfs/dbraw/zinc/49/45/98/436494598.db2.gz QLDQOQZNJQKLKL-KRWDZBQOSA-N 1 1 328.416 0.796 50 0 ECAAMO Cc1cc(CC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[nH]n1 ZINC000095431038 436494601 /nfs/dbraw/zinc/49/46/01/436494601.db2.gz QLDQOQZNJQKLKL-KRWDZBQOSA-N 1 1 328.416 0.796 50 0 ECAAMO Cc1cc(CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[nH]n1 ZINC000095431038 436494605 /nfs/dbraw/zinc/49/46/05/436494605.db2.gz QLDQOQZNJQKLKL-KRWDZBQOSA-N 1 1 328.416 0.796 50 0 ECAAMO COc1cccc(C[NH+]2CCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000095499060 436496256 /nfs/dbraw/zinc/49/62/56/436496256.db2.gz QODOQKHTFYKIFU-MRXNPFEDSA-N 1 1 336.432 0.973 50 0 ECAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1cnnn1)CC2 ZINC000095501591 436496671 /nfs/dbraw/zinc/49/66/71/436496671.db2.gz QMXJGRREVMYHRF-UHFFFAOYSA-N 1 1 344.423 0.182 50 0 ECAAMO Cn1c(CCNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n[nH]c1=O ZINC000095522015 436498094 /nfs/dbraw/zinc/49/80/94/436498094.db2.gz BOBODEGKDPUHRI-UONOGXRCSA-N 1 1 335.452 0.812 50 0 ECAAMO CC[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(=O)n(C)c(=O)n1C ZINC000096305413 436529938 /nfs/dbraw/zinc/52/99/38/436529938.db2.gz GWOFBSHAXQNOTK-UHFFFAOYSA-N 1 1 345.399 0.877 50 0 ECAAMO Cn1cc(C[C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC000096446119 436532391 /nfs/dbraw/zinc/53/23/91/436532391.db2.gz WJXKQMUZQWPTOO-USXIJHARSA-N 1 1 347.463 0.857 50 0 ECAAMO C[C@@H]1C[N@H+](CC2CCN(c3nc4n[nH]cc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000097097170 436538050 /nfs/dbraw/zinc/53/80/50/436538050.db2.gz JPIZDPGNJGSEER-TXEJJXNPSA-N 1 1 346.435 0.972 50 0 ECAAMO C[C@@H]1C[N@@H+](CC2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000097097170 436538051 /nfs/dbraw/zinc/53/80/51/436538051.db2.gz JPIZDPGNJGSEER-TXEJJXNPSA-N 1 1 346.435 0.972 50 0 ECAAMO C[C@@H]1C[N@H+](CC2CCN(c3nc4[nH]ncc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000097097170 436538052 /nfs/dbraw/zinc/53/80/52/436538052.db2.gz JPIZDPGNJGSEER-TXEJJXNPSA-N 1 1 346.435 0.972 50 0 ECAAMO Cn1nccc1C1CC[NH+](CC(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000058341182 436624573 /nfs/dbraw/zinc/62/45/73/436624573.db2.gz ASYOPVYGMZHYNQ-CQSZACIVSA-N 1 1 333.436 0.384 50 0 ECAAMO CC[C@H]1CN(CC(=O)NCCOc2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000106929192 436606686 /nfs/dbraw/zinc/60/66/86/436606686.db2.gz SXYDTVGHINHVBA-IRXDYDNUSA-N 1 1 349.475 0.959 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)CC1 ZINC000107058296 436607867 /nfs/dbraw/zinc/60/78/67/436607867.db2.gz STQXRPHQGSKMOL-RHSMWYFYSA-N 1 1 336.480 0.387 50 0 ECAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553434 436612936 /nfs/dbraw/zinc/61/29/36/436612936.db2.gz JMTWUEJCSHSEQL-JTQLQIEISA-N 1 1 339.417 0.309 50 0 ECAAMO COC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000065382464 436655464 /nfs/dbraw/zinc/65/54/64/436655464.db2.gz HWUREIWSGYIORX-CYBMUJFWSA-N 1 1 338.385 0.702 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000065404894 436656923 /nfs/dbraw/zinc/65/69/23/436656923.db2.gz PJLCMVLMSWVPHC-ZDUSSCGKSA-N 1 1 343.391 0.404 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000065404894 436656927 /nfs/dbraw/zinc/65/69/27/436656927.db2.gz PJLCMVLMSWVPHC-ZDUSSCGKSA-N 1 1 343.391 0.404 50 0 ECAAMO CC(C)[C@@H](CNC(=O)NCc1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000065398725 436657342 /nfs/dbraw/zinc/65/73/42/436657342.db2.gz UFRPABBYXKUGFW-CYBMUJFWSA-N 1 1 336.440 0.380 50 0 ECAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCc3ccccc3C2)CCN1CCO ZINC000225453554 436710402 /nfs/dbraw/zinc/71/04/02/436710402.db2.gz LIOTXEDTCBVNMJ-INIZCTEOSA-N 1 1 331.460 0.960 50 0 ECAAMO C[C@H]1CN(CCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1CCO ZINC000225453554 436710405 /nfs/dbraw/zinc/71/04/05/436710405.db2.gz LIOTXEDTCBVNMJ-INIZCTEOSA-N 1 1 331.460 0.960 50 0 ECAAMO C[C@H]1CN(CCC(=O)N2CCc3ccccc3C2)CC[N@H+]1CCO ZINC000225453554 436710408 /nfs/dbraw/zinc/71/04/08/436710408.db2.gz LIOTXEDTCBVNMJ-INIZCTEOSA-N 1 1 331.460 0.960 50 0 ECAAMO CN1CCN(S(=O)(=O)N2CC[NH+](CCCCCF)CC2)CC1 ZINC000225465864 436710421 /nfs/dbraw/zinc/71/04/21/436710421.db2.gz ATWLBPFHHIJDBX-UHFFFAOYSA-N 1 1 336.477 0.236 50 0 ECAAMO Cc1cc(C)n2ncc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2n1 ZINC000065428547 436660865 /nfs/dbraw/zinc/66/08/65/436660865.db2.gz SAJXFHOACYIBJY-UHFFFAOYSA-N 1 1 330.392 0.026 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nnn(-c2cccs2)c1=O ZINC000065449669 436662293 /nfs/dbraw/zinc/66/22/93/436662293.db2.gz LCBGFHTYNXIGPF-LLVKDONJSA-N 1 1 336.421 0.091 50 0 ECAAMO CN1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237199278 436727799 /nfs/dbraw/zinc/72/77/99/436727799.db2.gz BXCQOUOYIOQDMR-HZPDHXFCSA-N 1 1 330.432 0.451 50 0 ECAAMO C[C@@H]1CN(C)CCN1C(=O)CCCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000239637087 436758176 /nfs/dbraw/zinc/75/81/76/436758176.db2.gz BITFGGYELRZCOU-HZPDHXFCSA-N 1 1 338.496 0.872 50 0 ECAAMO C[C@@H]1CN(C)CCN1C(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000239637087 436758179 /nfs/dbraw/zinc/75/81/79/436758179.db2.gz BITFGGYELRZCOU-HZPDHXFCSA-N 1 1 338.496 0.872 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000240668016 436759012 /nfs/dbraw/zinc/75/90/12/436759012.db2.gz HLYBXHNONCQOLA-UPJWGTAASA-N 1 1 348.447 0.750 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000242324412 436759108 /nfs/dbraw/zinc/75/91/08/436759108.db2.gz ZBBYTGXPFOVBOO-BFHYXJOUSA-N 1 1 329.466 0.544 50 0 ECAAMO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000229816414 436717085 /nfs/dbraw/zinc/71/70/85/436717085.db2.gz IVLGNGHHXOEQQN-RDBSUJKOSA-N 1 1 344.481 0.336 50 0 ECAAMO Cn1ccnc1CN1CC[NH+](Cc2cccc(OCC(N)=O)c2)CC1 ZINC000069455785 436774097 /nfs/dbraw/zinc/77/40/97/436774097.db2.gz RMPVCOMKUKVLIS-UHFFFAOYSA-N 1 1 343.431 0.602 50 0 ECAAMO CC[N@H+]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000069584284 436781131 /nfs/dbraw/zinc/78/11/31/436781131.db2.gz PFJKRQIXZOWVEF-UHFFFAOYSA-N 1 1 329.404 0.736 50 0 ECAAMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 ZINC000247187562 436790351 /nfs/dbraw/zinc/79/03/51/436790351.db2.gz SNGDVTBQXUSFMB-CMPLNLGQSA-N 1 1 328.438 0.131 50 0 ECAAMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)nc1 ZINC000253417432 436843731 /nfs/dbraw/zinc/84/37/31/436843731.db2.gz LTUMTSQZVCWFKE-GFCCVEGCSA-N 1 1 341.433 0.629 50 0 ECAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)nc1 ZINC000253417432 436843734 /nfs/dbraw/zinc/84/37/34/436843734.db2.gz LTUMTSQZVCWFKE-GFCCVEGCSA-N 1 1 341.433 0.629 50 0 ECAAMO CC(C)C[N@@H+]1CCc2nnc([C@H]3CCN(C(=O)CCO)C3)n2CC1 ZINC000257187552 436857423 /nfs/dbraw/zinc/85/74/23/436857423.db2.gz BQRATJJEZYOPFI-AWEZNQCLSA-N 1 1 335.452 0.491 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@@H]1C ZINC000252475027 436831045 /nfs/dbraw/zinc/83/10/45/436831045.db2.gz QUNMFISAKYIYQJ-LSDHHAIUSA-N 1 1 349.479 0.867 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@@H]1C ZINC000252475027 436831049 /nfs/dbraw/zinc/83/10/49/436831049.db2.gz QUNMFISAKYIYQJ-LSDHHAIUSA-N 1 1 349.479 0.867 50 0 ECAAMO CCn1ccnc1CN1CC[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC000252474598 436831588 /nfs/dbraw/zinc/83/15/88/436831588.db2.gz ICTYDDKPZFCCER-HZPDHXFCSA-N 1 1 332.452 0.667 50 0 ECAAMO COc1ccc(CCNC(=O)CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000252474586 436832676 /nfs/dbraw/zinc/83/26/76/436832676.db2.gz HVBDYVWBCTUZNC-HOTGVXAUSA-N 1 1 349.475 0.741 50 0 ECAAMO COCC[N@H+]1[C@H](C)CN(c2nc(C)c(S(N)(=O)=O)s2)C[C@@H]1C ZINC000252481031 436834222 /nfs/dbraw/zinc/83/42/22/436834222.db2.gz CGXZCGXWSACBTR-AOOOYVTPSA-N 1 1 348.494 0.644 50 0 ECAAMO COCC[N@@H+]1[C@H](C)CN(c2nc(C)c(S(N)(=O)=O)s2)C[C@@H]1C ZINC000252481031 436834224 /nfs/dbraw/zinc/83/42/24/436834224.db2.gz CGXZCGXWSACBTR-AOOOYVTPSA-N 1 1 348.494 0.644 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000190834241 437637919 /nfs/dbraw/zinc/63/79/19/437637919.db2.gz QBFOAOKIVJUMOK-HNNXBMFYSA-N 1 1 329.466 0.898 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000190834241 437637925 /nfs/dbraw/zinc/63/79/25/437637925.db2.gz QBFOAOKIVJUMOK-HNNXBMFYSA-N 1 1 329.466 0.898 50 0 ECAAMO Cc1nnc(CN(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000426615181 438068595 /nfs/dbraw/zinc/06/85/95/438068595.db2.gz QABFOCGLFLTMIF-GFCCVEGCSA-N 1 1 338.412 0.107 50 0 ECAAMO O=C(NCc1nc2ccc(Cl)cc2[nH]1)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000426657074 438070752 /nfs/dbraw/zinc/07/07/52/438070752.db2.gz XGKOBYLJXPJSAF-TVQRCGJNSA-N 1 1 337.811 0.986 50 0 ECAAMO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000408519097 438581931 /nfs/dbraw/zinc/58/19/31/438581931.db2.gz ZLPFWOWCLYHFCN-QGZVFWFLSA-N 1 1 338.496 0.337 50 0 ECAAMO COC(=O)c1ccc(C(=O)N2CC([NH+]3CCC(C(N)=O)CC3)C2)cc1 ZINC000575611429 438751129 /nfs/dbraw/zinc/75/11/29/438751129.db2.gz XNYRTNPDQZJYLJ-UHFFFAOYSA-N 1 1 345.399 0.495 50 0 ECAAMO O=C(CCCn1cnnn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000524732920 439191269 /nfs/dbraw/zinc/19/12/69/439191269.db2.gz ABGHIGKHSHFSGD-UHFFFAOYSA-N 1 1 329.408 0.235 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000534650426 439531311 /nfs/dbraw/zinc/53/13/11/439531311.db2.gz LDMJYGHXVSNYDA-WFASDCNBSA-N 1 1 348.403 0.882 50 0 ECAAMO C[C@]1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CCC(=O)NC1 ZINC000585129155 439632645 /nfs/dbraw/zinc/63/26/45/439632645.db2.gz ZLCRRYLUISHJLT-SFHVURJKSA-N 1 1 330.432 0.685 50 0 ECAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1NC(=O)N1Cc2nc(C)[nH]c(=O)c2C1 ZINC000584887891 439624523 /nfs/dbraw/zinc/62/45/23/439624523.db2.gz PQLXHRVABNWYQL-KBPBESRZSA-N 1 1 335.408 0.625 50 0 ECAAMO COc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)cc(OC)c1 ZINC000012761353 522414009 /nfs/dbraw/zinc/41/40/09/522414009.db2.gz BLQHVRYQPGFSKV-INIZCTEOSA-N 1 1 349.431 0.919 50 0 ECAAMO COc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)cc(OC)c1 ZINC000012761353 522414020 /nfs/dbraw/zinc/41/40/20/522414020.db2.gz BLQHVRYQPGFSKV-INIZCTEOSA-N 1 1 349.431 0.919 50 0 ECAAMO CNC(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000083882320 545707746 /nfs/dbraw/zinc/70/77/46/545707746.db2.gz YTNPPSDVXPBHHV-LSDHHAIUSA-N 1 1 332.404 0.112 50 0 ECAAMO Cc1nc(CC(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c(C)s1 ZINC000244898845 545936570 /nfs/dbraw/zinc/93/65/70/545936570.db2.gz ZCOWQHXQFLGRTR-GJZGRUSLSA-N 1 1 339.461 0.596 50 0 ECAAMO Cc1nc(CC(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c(C)s1 ZINC000244898845 545936577 /nfs/dbraw/zinc/93/65/77/545936577.db2.gz ZCOWQHXQFLGRTR-GJZGRUSLSA-N 1 1 339.461 0.596 50 0 ECAAMO COCCn1ccnc1C[N@@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000670455277 548015794 /nfs/dbraw/zinc/01/57/94/548015794.db2.gz XPKKMUZLEVADGJ-ZDUSSCGKSA-N 1 1 334.424 0.530 50 0 ECAAMO COCCn1ccnc1C[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000670455277 548015799 /nfs/dbraw/zinc/01/57/99/548015799.db2.gz XPKKMUZLEVADGJ-ZDUSSCGKSA-N 1 1 334.424 0.530 50 0 ECAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)N1CCC(OC)CC1 ZINC000670471898 548017681 /nfs/dbraw/zinc/01/76/81/548017681.db2.gz PGTBIYMBPWZWMV-UHFFFAOYSA-N 1 1 330.454 0.781 50 0 ECAAMO COC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072170578 610703220 /nfs/dbraw/zinc/70/32/20/610703220.db2.gz CBVAKYCVJOKLBU-LLVKDONJSA-N 1 1 331.376 0.968 50 0 ECAAMO COC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072170578 610703222 /nfs/dbraw/zinc/70/32/22/610703222.db2.gz CBVAKYCVJOKLBU-LLVKDONJSA-N 1 1 331.376 0.968 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000952968669 612138960 /nfs/dbraw/zinc/13/89/60/612138960.db2.gz HVLFCZFZHFWSEW-HNNXBMFYSA-N 1 1 343.493 0.238 50 0 ECAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952989576 612140168 /nfs/dbraw/zinc/14/01/68/612140168.db2.gz XLJJOKFJJYEXSB-LLVKDONJSA-N 1 1 347.394 0.858 50 0 ECAAMO COCCC(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802940 738445879 /nfs/dbraw/zinc/44/58/79/738445879.db2.gz RRFUVSMLEKNEGL-MRXNPFEDSA-N 1 1 339.480 0.668 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097615 214077788 /nfs/dbraw/zinc/07/77/88/214077788.db2.gz BUDHVGGCUDQDOU-NSHDSACASA-N 1 1 336.392 0.626 50 0 ECAAMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101417 214078647 /nfs/dbraw/zinc/07/86/47/214078647.db2.gz FPTDPPUHQUHCDV-UONOGXRCSA-N 1 1 333.498 0.941 50 0 ECAAMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101417 214078650 /nfs/dbraw/zinc/07/86/50/214078650.db2.gz FPTDPPUHQUHCDV-UONOGXRCSA-N 1 1 333.498 0.941 50 0 ECAAMO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186184 214082207 /nfs/dbraw/zinc/08/22/07/214082207.db2.gz JJKDTNRVPBDESV-DZGCQCFKSA-N 1 1 325.453 0.895 50 0 ECAAMO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000052636046 214137629 /nfs/dbraw/zinc/13/76/29/214137629.db2.gz JRRHTQNQCUZQMF-ZDUSSCGKSA-N 1 1 325.840 0.955 50 0 ECAAMO CN(CC(=O)NCC[N@@H+]1CCc2sccc2C1)S(C)(=O)=O ZINC000053268969 214174344 /nfs/dbraw/zinc/17/43/44/214174344.db2.gz GBDYJPSYWCXMNY-UHFFFAOYSA-N 1 1 331.463 0.114 50 0 ECAAMO CN(CC(=O)NCC[N@H+]1CCc2sccc2C1)S(C)(=O)=O ZINC000053268969 214174347 /nfs/dbraw/zinc/17/43/47/214174347.db2.gz GBDYJPSYWCXMNY-UHFFFAOYSA-N 1 1 331.463 0.114 50 0 ECAAMO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCC(N)=O)cc1OC ZINC000055107606 214273011 /nfs/dbraw/zinc/27/30/11/214273011.db2.gz YLMZYIUAZXTNSC-CQSZACIVSA-N 1 1 339.436 0.352 50 0 ECAAMO O=C(C[C@H]1NC(=O)NC1=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056302501 214369321 /nfs/dbraw/zinc/36/93/21/214369321.db2.gz KMQXBIFHYGSWPN-GFCCVEGCSA-N 1 1 336.417 0.033 50 0 ECAAMO Cn1c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc(=O)n(C)c1=O ZINC000056635646 214381864 /nfs/dbraw/zinc/38/18/64/214381864.db2.gz XHBPAXINIIKLEC-CYBMUJFWSA-N 1 1 331.372 0.356 50 0 ECAAMO Cn1c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc(=O)n(C)c1=O ZINC000056635646 214381867 /nfs/dbraw/zinc/38/18/67/214381867.db2.gz XHBPAXINIIKLEC-CYBMUJFWSA-N 1 1 331.372 0.356 50 0 ECAAMO CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCC[NH+]2CCCC2)C1 ZINC000101529852 219132236 /nfs/dbraw/zinc/13/22/36/219132236.db2.gz JQMKVXGTODDVRZ-ZDUSSCGKSA-N 1 1 349.431 0.570 50 0 ECAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)[C@H]1Cc2ccccc2O1 ZINC000046050648 213777167 /nfs/dbraw/zinc/77/71/67/213777167.db2.gz GSRFFQGDQHXCSN-JFIYKMOQSA-N 1 1 346.427 0.844 50 0 ECAAMO C[C@@H]1C[N@H+](C2CCN(CC(=O)Nc3nncs3)CC2)CCO1 ZINC000066561789 215054223 /nfs/dbraw/zinc/05/42/23/215054223.db2.gz RYXKAKBJFPWNTM-LLVKDONJSA-N 1 1 325.438 0.662 50 0 ECAAMO NS(=O)(=O)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000066921544 215094965 /nfs/dbraw/zinc/09/49/65/215094965.db2.gz CBQHBLMDZPHFSS-AWEZNQCLSA-N 1 1 325.434 0.446 50 0 ECAAMO COCCN1CCC[C@](O)(C[NH2+]Cc2cn3ccsc3n2)C1=O ZINC000067561197 215162581 /nfs/dbraw/zinc/16/25/81/215162581.db2.gz UOEULRVDZZQUAC-HNNXBMFYSA-N 1 1 338.433 0.485 50 0 ECAAMO O=C(NCCO)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067755385 215202666 /nfs/dbraw/zinc/20/26/66/215202666.db2.gz WAEQEQAXQHZUKM-UHFFFAOYSA-N 1 1 344.415 0.715 50 0 ECAAMO O=C1NCC[NH2+]C12CCN(S(=O)(=O)c1cc(F)cc(F)c1)CC2 ZINC000067757383 215204095 /nfs/dbraw/zinc/20/40/95/215204095.db2.gz LOSNCBGTUZOIBU-UHFFFAOYSA-N 1 1 345.371 0.208 50 0 ECAAMO CC(C)c1noc(CCNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000069123429 215360168 /nfs/dbraw/zinc/36/01/68/215360168.db2.gz ORKTWTRXECALTQ-ZDUSSCGKSA-N 1 1 338.456 0.671 50 0 ECAAMO CC1=NN(c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)CC1 ZINC000040553456 213348197 /nfs/dbraw/zinc/34/81/97/213348197.db2.gz ZJFIUXGLFFZMJA-UHFFFAOYSA-N 1 1 343.431 0.952 50 0 ECAAMO CCn1cnnc1CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072138667 216025608 /nfs/dbraw/zinc/02/56/08/216025608.db2.gz RMPTXEYESYUDCH-AWEZNQCLSA-N 1 1 348.451 0.090 50 0 ECAAMO COc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH2+]Cc3cnc(C)cn3)C2)cc1 ZINC000072143604 216028476 /nfs/dbraw/zinc/02/84/76/216028476.db2.gz SJLWEADYXQOGAT-IAGOWNOFSA-N 1 1 342.399 0.769 50 0 ECAAMO CC[NH+]1CCC(N2CCN[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000072144956 216029957 /nfs/dbraw/zinc/02/99/57/216029957.db2.gz WWVMVTKOVYQAHT-KRWDZBQOSA-N 1 1 331.464 0.456 50 0 ECAAMO CC(C)SCC(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1cccnc1 ZINC000072145895 216032372 /nfs/dbraw/zinc/03/23/72/216032372.db2.gz BTJWRCFSYBQAQY-AWEZNQCLSA-N 1 1 336.461 0.640 50 0 ECAAMO [NH3+]CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072162611 216049796 /nfs/dbraw/zinc/04/97/96/216049796.db2.gz UVKGXNBYEFEFHZ-MORSLUCNSA-N 1 1 329.400 0.763 50 0 ECAAMO Cc1ccoc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccncc1 ZINC000072156468 216045741 /nfs/dbraw/zinc/04/57/41/216045741.db2.gz UARZNALTTVDWNA-AWEZNQCLSA-N 1 1 328.372 0.713 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCCCC2 ZINC000072164885 216054464 /nfs/dbraw/zinc/05/44/64/216054464.db2.gz PZQJEIYOHRNQBK-ZDUSSCGKSA-N 1 1 348.451 0.220 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCCCC2 ZINC000072164885 216054466 /nfs/dbraw/zinc/05/44/66/216054466.db2.gz PZQJEIYOHRNQBK-ZDUSSCGKSA-N 1 1 348.451 0.220 50 0 ECAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000072300177 216138605 /nfs/dbraw/zinc/13/86/05/216138605.db2.gz QLLSOTCYIBQYJE-VXGBXAGGSA-N 1 1 340.449 0.371 50 0 ECAAMO NC1(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)CC[NH2+]CC1 ZINC000072410161 216202911 /nfs/dbraw/zinc/20/29/11/216202911.db2.gz UKCDIGLGVCNFAJ-GOSISDBHSA-N 1 1 342.487 0.769 50 0 ECAAMO Cc1c(C[N@H+]2CCOC[C@@H](CO)C2)c(=O)n(-c2ccccc2)n1C ZINC000072411807 216204190 /nfs/dbraw/zinc/20/41/90/216204190.db2.gz KLRGRDHQZRJTMI-OAHLLOKOSA-N 1 1 331.416 0.925 50 0 ECAAMO CCn1c(C)nnc1SCCNC(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072421840 216209799 /nfs/dbraw/zinc/20/97/99/216209799.db2.gz VQFTVEPCELEVQM-GFCCVEGCSA-N 1 1 335.437 0.425 50 0 ECAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000000048959 209388841 /nfs/dbraw/zinc/38/88/41/209388841.db2.gz DCHFXLZEJQBRHA-UHFFFAOYSA-N 1 1 337.445 0.881 50 0 ECAAMO C[NH+](C)CCOc1cccc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1 ZINC000072454097 216240842 /nfs/dbraw/zinc/24/08/42/216240842.db2.gz OQGRULUNWLWTBW-MAUKXSAKSA-N 1 1 347.415 0.260 50 0 ECAAMO O=C(NCc1noc(Cc2cccs2)n1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072462922 216245151 /nfs/dbraw/zinc/24/51/51/216245151.db2.gz VTBSLWIITAMWNX-CQSZACIVSA-N 1 1 344.400 0.948 50 0 ECAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncnc4[nH]cnc43)CC[C@H]21 ZINC000072469337 216249098 /nfs/dbraw/zinc/24/90/98/216249098.db2.gz JGJIVEPIPMQYIM-NWDGAFQWSA-N 1 1 329.408 0.390 50 0 ECAAMO CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000216357445 241185777 /nfs/dbraw/zinc/18/57/77/241185777.db2.gz KBUQKHKYZOENIF-UHFFFAOYSA-N 1 1 342.443 0.792 50 0 ECAAMO Cn1ncc2c1ncnc2N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022020110 212270768 /nfs/dbraw/zinc/27/07/68/212270768.db2.gz GRVGOTPFSJBAIY-UHFFFAOYSA-N 1 1 345.451 0.790 50 0 ECAAMO Cn1ncc2c1ncnc2N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022020110 212270771 /nfs/dbraw/zinc/27/07/71/212270771.db2.gz GRVGOTPFSJBAIY-UHFFFAOYSA-N 1 1 345.451 0.790 50 0 ECAAMO CCc1nc(N2CCN(CC(=O)Nc3nncs3)CC2)cc(C)[nH+]1 ZINC000225823254 242053529 /nfs/dbraw/zinc/05/35/29/242053529.db2.gz WBXIWXITYMTFCN-UHFFFAOYSA-N 1 1 347.448 0.960 50 0 ECAAMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229565422 242177454 /nfs/dbraw/zinc/17/74/54/242177454.db2.gz QZKMWKDLWQEYEL-RYUDHWBXSA-N 1 1 334.486 0.185 50 0 ECAAMO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000229565422 242177460 /nfs/dbraw/zinc/17/74/60/242177460.db2.gz QZKMWKDLWQEYEL-RYUDHWBXSA-N 1 1 334.486 0.185 50 0 ECAAMO CCCn1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000244723795 243070623 /nfs/dbraw/zinc/07/06/23/243070623.db2.gz MHNRARVJAOMGNQ-CQSZACIVSA-N 1 1 342.465 0.418 50 0 ECAAMO CCCn1cc(CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000244723795 243070627 /nfs/dbraw/zinc/07/06/27/243070627.db2.gz MHNRARVJAOMGNQ-CQSZACIVSA-N 1 1 342.465 0.418 50 0 ECAAMO Cc1cc(C)n(Cc2cc(C(=O)NCCC[NH+]3CCOCC3)[nH]n2)n1 ZINC000020600766 212150896 /nfs/dbraw/zinc/15/08/96/212150896.db2.gz SCSPCQDNVBLHMZ-UHFFFAOYSA-N 1 1 346.435 0.723 50 0 ECAAMO O=C(CCn1cnc2ccccc2c1=O)NCCC[NH+]1CCOCC1 ZINC000020623016 212156887 /nfs/dbraw/zinc/15/68/87/212156887.db2.gz KEHAIWVPGFWDJJ-UHFFFAOYSA-N 1 1 344.415 0.625 50 0 ECAAMO COCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019796883 212068968 /nfs/dbraw/zinc/06/89/68/212068968.db2.gz PKNJSDZBSQWCLF-KBPBESRZSA-N 1 1 347.458 0.252 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000078486244 217061303 /nfs/dbraw/zinc/06/13/03/217061303.db2.gz RCBIPTGESVHUHD-LBPRGKRZSA-N 1 1 331.424 0.466 50 0 ECAAMO O=S(=O)(CC[NH2+]Cc1cccc2c1OCCO2)N1CCOCC1 ZINC000078553475 217075652 /nfs/dbraw/zinc/07/56/52/217075652.db2.gz IYDCDWMCPNGWMO-UHFFFAOYSA-N 1 1 342.417 0.209 50 0 ECAAMO CN(C)c1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091434762 218005222 /nfs/dbraw/zinc/00/52/22/218005222.db2.gz CMNZBBQWAMYNGH-HZPDHXFCSA-N 1 1 347.459 0.765 50 0 ECAAMO Cc1ocnc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091505677 218015857 /nfs/dbraw/zinc/01/58/57/218015857.db2.gz SBEIUQIGQGKTDW-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO Cc1ocnc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091505677 218015859 /nfs/dbraw/zinc/01/58/59/218015859.db2.gz SBEIUQIGQGKTDW-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO Cc1ocnc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091505677 218015861 /nfs/dbraw/zinc/01/58/61/218015861.db2.gz SBEIUQIGQGKTDW-HUUCEWRRSA-N 1 1 336.436 0.301 50 0 ECAAMO COCCN1CCC[C@]2(CC[N@H+](Cc3nc(COC)no3)C2)C1=O ZINC000091691626 218047500 /nfs/dbraw/zinc/04/75/00/218047500.db2.gz MCXHJELJHDVJIK-MRXNPFEDSA-N 1 1 338.408 0.677 50 0 ECAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3nc(COC)no3)C2)C1=O ZINC000091691626 218047503 /nfs/dbraw/zinc/04/75/03/218047503.db2.gz MCXHJELJHDVJIK-MRXNPFEDSA-N 1 1 338.408 0.677 50 0 ECAAMO Cc1cc[nH+]c(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)c1 ZINC000091693577 218049092 /nfs/dbraw/zinc/04/90/92/218049092.db2.gz NQHJCNOHWPYNCE-GFCCVEGCSA-N 1 1 331.376 0.027 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc3c(c2)CCC3)C[C@]12CCNC(=O)CC2 ZINC000091907678 218087233 /nfs/dbraw/zinc/08/72/33/218087233.db2.gz ICJOVOXOAKYETA-IBGZPJMESA-N 1 1 342.443 0.997 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCCO)n(C)c1=O ZINC000010330227 211164088 /nfs/dbraw/zinc/16/40/88/211164088.db2.gz IMAAGWASJQTZBW-LLVKDONJSA-N 1 1 348.407 0.446 50 0 ECAAMO CC[NH+](CC)CCNC(=O)C(=O)Nc1n[nH]c2nc(C)cc(C)c12 ZINC000009059924 211036713 /nfs/dbraw/zinc/03/67/13/211036713.db2.gz SQGLMBWNLXPCLZ-UHFFFAOYSA-N 1 1 332.408 0.971 50 0 ECAAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2nnc3nc(C)ccn32)C1 ZINC000299768779 258083018 /nfs/dbraw/zinc/08/30/18/258083018.db2.gz ZCULMVIVKWSVTF-CYBMUJFWSA-N 1 1 332.408 0.473 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000071871133 287089412 /nfs/dbraw/zinc/08/94/12/287089412.db2.gz XZAFVBBYDNUFGW-NEPJUHHUSA-N 1 1 340.449 0.373 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000284614203 264234047 /nfs/dbraw/zinc/23/40/47/264234047.db2.gz ANWPTLTXJLBXLW-CVEARBPZSA-N 1 1 348.422 0.229 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@@H]2C1 ZINC000285942096 264353556 /nfs/dbraw/zinc/35/35/56/264353556.db2.gz VRTRGCXAQIVGPD-HZPDHXFCSA-N 1 1 344.415 0.761 50 0 ECAAMO CC(C)[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)CCn1cnnc1 ZINC000091620402 276032406 /nfs/dbraw/zinc/03/24/06/276032406.db2.gz ONEBVWGFTULAPB-CVEARBPZSA-N 1 1 335.452 0.920 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1 ZINC000069876151 276535817 /nfs/dbraw/zinc/53/58/17/276535817.db2.gz XHGWPCZDFSRXJK-CQSZACIVSA-N 1 1 346.435 0.199 50 0 ECAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000022972190 277111510 /nfs/dbraw/zinc/11/15/10/277111510.db2.gz MWHATHQWZPRAPB-ZDUSSCGKSA-N 1 1 331.372 0.337 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000069738467 277316490 /nfs/dbraw/zinc/31/64/90/277316490.db2.gz HFUQCRIFYAOEEL-UHFFFAOYSA-N 1 1 334.420 0.384 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)NC3CCOCC3)C2)n1 ZINC000069742657 435961704 /nfs/dbraw/zinc/96/17/04/435961704.db2.gz LFWSXMWKTJCTHD-HNNXBMFYSA-N 1 1 335.452 0.902 50 0 ECAAMO CCOC(=O)c1cnn(CC[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c1N ZINC000069976936 435979933 /nfs/dbraw/zinc/97/99/33/435979933.db2.gz ABLLUOQCNPDEBP-GFCCVEGCSA-N 1 1 338.408 0.917 50 0 ECAAMO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006084 435981875 /nfs/dbraw/zinc/98/18/75/435981875.db2.gz ZASFDKILGQZKCC-OAHLLOKOSA-N 1 1 345.447 0.952 50 0 ECAAMO C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000070077045 435986289 /nfs/dbraw/zinc/98/62/89/435986289.db2.gz LOBLBERTIQEASL-QWRGUYRKSA-N 1 1 332.447 0.461 50 0 ECAAMO Cn1nc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c2ccccc2c1=O ZINC000069626760 435953124 /nfs/dbraw/zinc/95/31/24/435953124.db2.gz LEVMTKCNFABPHH-UHFFFAOYSA-N 1 1 344.415 0.462 50 0 ECAAMO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CC[NH+](CCO)CC1 ZINC000069631800 435954950 /nfs/dbraw/zinc/95/49/50/435954950.db2.gz BRUZSHPINCHOQP-CYBMUJFWSA-N 1 1 341.402 0.622 50 0 ECAAMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000069627057 435954992 /nfs/dbraw/zinc/95/49/92/435954992.db2.gz YKITZDANIIJNHJ-OAHLLOKOSA-N 1 1 346.431 0.643 50 0 ECAAMO Cn1c(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc(=O)n(C)c1=O ZINC000071793357 436012097 /nfs/dbraw/zinc/01/20/97/436012097.db2.gz NFFXFJVVWROPOO-UHFFFAOYSA-N 1 1 342.443 0.792 50 0 ECAAMO O=C(c1ccncc1)N1CCC[N@@H+](CCCN2CCOCC2)CC1 ZINC000071823548 436013188 /nfs/dbraw/zinc/01/31/88/436013188.db2.gz PLZXTZIVYMAAIB-UHFFFAOYSA-N 1 1 332.448 0.952 50 0 ECAAMO C[N@@H+](CC(=O)Nc1nncs1)C[C@@H]1CCCN1c1cccnn1 ZINC000071860041 436019359 /nfs/dbraw/zinc/01/93/59/436019359.db2.gz AOHGPSYJURHKHB-NSHDSACASA-N 1 1 333.421 0.867 50 0 ECAAMO C[N@H+](CC(=O)Nc1nncs1)C[C@@H]1CCCN1c1cccnn1 ZINC000071860041 436019367 /nfs/dbraw/zinc/01/93/67/436019367.db2.gz AOHGPSYJURHKHB-NSHDSACASA-N 1 1 333.421 0.867 50 0 ECAAMO Cc1nc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)co1 ZINC000072140365 436034373 /nfs/dbraw/zinc/03/43/73/436034373.db2.gz ALNPETHODMOBSP-SFHVURJKSA-N 1 1 340.383 0.959 50 0 ECAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1 ZINC000072300741 436043259 /nfs/dbraw/zinc/04/32/59/436043259.db2.gz GDHZVGKGNNIXHM-RDTXWAMCSA-N 1 1 344.415 0.856 50 0 ECAAMO C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000014094189 436068328 /nfs/dbraw/zinc/06/83/28/436068328.db2.gz PEYFXSFLUKACJS-UHFFFAOYSA-N 1 1 328.372 0.768 50 0 ECAAMO C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000014094189 436068334 /nfs/dbraw/zinc/06/83/34/436068334.db2.gz PEYFXSFLUKACJS-UHFFFAOYSA-N 1 1 328.372 0.768 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000025316682 436149582 /nfs/dbraw/zinc/14/95/82/436149582.db2.gz PMQLMDZNBIKGJT-ZDUSSCGKSA-N 1 1 337.445 0.489 50 0 ECAAMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423876 436149879 /nfs/dbraw/zinc/14/98/79/436149879.db2.gz OONUVEXOJNOPEP-HOTGVXAUSA-N 1 1 344.459 0.921 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133582 436151642 /nfs/dbraw/zinc/15/16/42/436151642.db2.gz DWFCZAWXCKMNJV-IAGOWNOFSA-N 1 1 347.463 0.854 50 0 ECAAMO O=C(CN1C(=O)COc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020688263 436111337 /nfs/dbraw/zinc/11/13/37/436111337.db2.gz AIMPLYCZMJVFPW-UHFFFAOYSA-N 1 1 333.388 0.251 50 0 ECAAMO Cn1ncc(N2CC[C@@H](CNC(=O)C[N@@H+](C)C3CCCC3)C2)cc1=O ZINC000077407496 436236125 /nfs/dbraw/zinc/23/61/25/436236125.db2.gz WASGZMXJDSSXJT-AWEZNQCLSA-N 1 1 347.463 0.597 50 0 ECAAMO [NH3+]CCn1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccn2)nn1 ZINC000077485520 436239664 /nfs/dbraw/zinc/23/96/64/436239664.db2.gz GSVANVXPUUIACM-OAHLLOKOSA-N 1 1 338.375 0.143 50 0 ECAAMO CCNC(=O)COc1ccc(NC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000076060951 436189914 /nfs/dbraw/zinc/18/99/14/436189914.db2.gz YGRCBLWTQQSPIZ-OAHLLOKOSA-N 1 1 335.404 0.861 50 0 ECAAMO CCNC(=O)COc1ccc(NC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000076060951 436189916 /nfs/dbraw/zinc/18/99/16/436189916.db2.gz YGRCBLWTQQSPIZ-OAHLLOKOSA-N 1 1 335.404 0.861 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000076432664 436205812 /nfs/dbraw/zinc/20/58/12/436205812.db2.gz OKUVJYFQYOQJKT-INIZCTEOSA-N 1 1 331.416 0.886 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000076432664 436205816 /nfs/dbraw/zinc/20/58/16/436205816.db2.gz OKUVJYFQYOQJKT-INIZCTEOSA-N 1 1 331.416 0.886 50 0 ECAAMO CC(C)[N@@H+](C)CCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077322585 436232285 /nfs/dbraw/zinc/23/22/85/436232285.db2.gz BXCGNGUGOPZGMT-CQSZACIVSA-N 1 1 335.452 0.453 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000032802715 436245148 /nfs/dbraw/zinc/24/51/48/436245148.db2.gz RRDONFDBFIUQOI-UHFFFAOYSA-N 1 1 330.432 0.967 50 0 ECAAMO CCn1nc(C)c2c1cnn2CC(=O)NCCC[NH+]1CCOCC1 ZINC000041123912 436268828 /nfs/dbraw/zinc/26/88/28/436268828.db2.gz SKEJYRYGAKULHI-UHFFFAOYSA-N 1 1 334.424 0.400 50 0 ECAAMO CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000078806727 436277936 /nfs/dbraw/zinc/27/79/36/436277936.db2.gz KYKSKJZWWKPLCC-ZDUSSCGKSA-N 1 1 338.495 0.311 50 0 ECAAMO C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000046955187 436404887 /nfs/dbraw/zinc/40/48/87/436404887.db2.gz PIGHNBUNNSXLHZ-KBPBESRZSA-N 1 1 345.509 0.895 50 0 ECAAMO C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000089375309 436409398 /nfs/dbraw/zinc/40/93/98/436409398.db2.gz ZJBHCBQLIZHLEX-CVEARBPZSA-N 1 1 331.416 0.624 50 0 ECAAMO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000044941743 436355102 /nfs/dbraw/zinc/35/51/02/436355102.db2.gz ABQRHONVSIYSFY-HUUCEWRRSA-N 1 1 337.445 0.951 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000048230102 436444334 /nfs/dbraw/zinc/44/43/34/436444334.db2.gz SSCULWMSTKUCLY-UHFFFAOYSA-N 1 1 327.388 0.552 50 0 ECAAMO COCC(=O)NC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048280274 436446878 /nfs/dbraw/zinc/44/68/78/436446878.db2.gz ZFZKFURSIYRWML-UHFFFAOYSA-N 1 1 336.417 0.483 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCOC1 ZINC000048287118 436447232 /nfs/dbraw/zinc/44/72/32/436447232.db2.gz NNGAUYBVECSUSA-HNNXBMFYSA-N 1 1 348.451 0.324 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccco1 ZINC000048288549 436448148 /nfs/dbraw/zinc/44/81/48/436448148.db2.gz UAAOYZPLXGZSMV-NSHDSACASA-N 1 1 334.401 0.975 50 0 ECAAMO CN1CCC[N@@H+](CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091462431 436451221 /nfs/dbraw/zinc/45/12/21/436451221.db2.gz SYABFKKUIGFECR-MRXNPFEDSA-N 1 1 339.480 0.547 50 0 ECAAMO C[N@@H+]1CCCN(CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091462431 436451223 /nfs/dbraw/zinc/45/12/23/436451223.db2.gz SYABFKKUIGFECR-MRXNPFEDSA-N 1 1 339.480 0.547 50 0 ECAAMO C[N@H+]1CCCN(CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091462431 436451225 /nfs/dbraw/zinc/45/12/25/436451225.db2.gz SYABFKKUIGFECR-MRXNPFEDSA-N 1 1 339.480 0.547 50 0 ECAAMO CC(C)[C@H]1C[N@H+](C2CCCC2)C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000091616416 436454386 /nfs/dbraw/zinc/45/43/86/436454386.db2.gz KNXWUVYONMXQRT-CABCVRRESA-N 1 1 348.447 0.552 50 0 ECAAMO Cc1ccccc1OCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091635804 436457273 /nfs/dbraw/zinc/45/72/73/436457273.db2.gz IBMWQEVKZLAWHK-IAGOWNOFSA-N 1 1 348.443 0.773 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc(C)c1C ZINC000089585652 436414085 /nfs/dbraw/zinc/41/40/85/436414085.db2.gz UKNLLSXGDSUXKN-LBPRGKRZSA-N 1 1 339.461 0.988 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc(C)c1C ZINC000089585652 436414089 /nfs/dbraw/zinc/41/40/89/436414089.db2.gz UKNLLSXGDSUXKN-LBPRGKRZSA-N 1 1 339.461 0.988 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)[nH]n1 ZINC000092065298 436466736 /nfs/dbraw/zinc/46/67/36/436466736.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 1 349.479 0.426 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[N@H+]3CCCN(C)CC3)C2)n[nH]1 ZINC000092065298 436466737 /nfs/dbraw/zinc/46/67/37/436466737.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 1 349.479 0.426 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)n[nH]1 ZINC000092065298 436466740 /nfs/dbraw/zinc/46/67/40/436466740.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 1 349.479 0.426 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCC[N@@H+](C)CC3)C2)[nH]n1 ZINC000092065298 436466743 /nfs/dbraw/zinc/46/67/43/436466743.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 1 349.479 0.426 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCC[N@H+](C)CC3)C2)[nH]n1 ZINC000092065298 436466744 /nfs/dbraw/zinc/46/67/44/436466744.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 1 349.479 0.426 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000095480474 436496213 /nfs/dbraw/zinc/49/62/13/436496213.db2.gz LFVXFOCBTQLLSQ-CQSZACIVSA-N 1 1 344.419 0.856 50 0 ECAAMO Cc1ccccc1[C@@H](C(=O)NC1CCN(CC(N)=O)CC1)[NH+](C)C ZINC000095526780 436500269 /nfs/dbraw/zinc/50/02/69/436500269.db2.gz IRIXPUMRRGUVJB-KRWDZBQOSA-N 1 1 332.448 0.664 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000096487631 436531585 /nfs/dbraw/zinc/53/15/85/436531585.db2.gz MHJMWNLSQXPSQE-CYBMUJFWSA-N 1 1 333.427 0.215 50 0 ECAAMO C[C@H](C(=O)NC(C)(C)C(=O)NCC1CCCC1)N1CC[NH+](C)CC1 ZINC000097112901 436537650 /nfs/dbraw/zinc/53/76/50/436537650.db2.gz HKYBJZKJLMFQQV-CQSZACIVSA-N 1 1 338.496 0.824 50 0 ECAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000058244565 436622128 /nfs/dbraw/zinc/62/21/28/436622128.db2.gz IFJYWQKCBGJGTR-NSHDSACASA-N 1 1 336.392 0.708 50 0 ECAAMO O=C(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000058265246 436622472 /nfs/dbraw/zinc/62/24/72/436622472.db2.gz HPHRMBUWMWEARX-UHFFFAOYSA-N 1 1 337.445 0.662 50 0 ECAAMO CC(C)=CC[N@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@H]1CCO ZINC000106951042 436607445 /nfs/dbraw/zinc/60/74/45/436607445.db2.gz BAFQJVRJBXZLQT-GFCCVEGCSA-N 1 1 331.424 0.774 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000107354714 436611403 /nfs/dbraw/zinc/61/14/03/436611403.db2.gz ANRKRRBGMMWSHX-IKGGRYGDSA-N 1 1 349.475 0.814 50 0 ECAAMO Cc1cccnc1CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)CC1 ZINC000065383093 436655800 /nfs/dbraw/zinc/65/58/00/436655800.db2.gz PRARCENEBMVIQM-VQIMIIECSA-N 1 1 343.475 0.185 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2O)CC1 ZINC000219851349 436697587 /nfs/dbraw/zinc/69/75/87/436697587.db2.gz BYWCLEWHYPQUMF-IRXDYDNUSA-N 1 1 329.444 0.537 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCn1nc(C)c(C(C)=O)c1C ZINC000220581731 436698651 /nfs/dbraw/zinc/69/86/51/436698651.db2.gz DPCARNJVQBERBL-GJZGRUSLSA-N 1 1 336.436 0.928 50 0 ECAAMO COc1ccc(CCC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000223354878 436705598 /nfs/dbraw/zinc/70/55/98/436705598.db2.gz NTYWAUVULDAOSN-ROUUACIJSA-N 1 1 347.459 0.447 50 0 ECAAMO C[NH+]1CCC(N[C@H]2CCCN(c3nccn4c(=O)[nH]nc34)C2)CC1 ZINC000067350078 436712572 /nfs/dbraw/zinc/71/25/72/436712572.db2.gz GTFKLVNTBKIOQJ-ZDUSSCGKSA-N 1 1 331.424 0.070 50 0 ECAAMO NC(=O)Cn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000065434183 436661990 /nfs/dbraw/zinc/66/19/90/436661990.db2.gz RDTXDQWPOYAQKS-AWEZNQCLSA-N 1 1 342.403 0.764 50 0 ECAAMO CCn1cc(C2CC[NH+](CC(=O)N[C@@H]3CCCCNC3=O)CC2)cn1 ZINC000065458691 436662824 /nfs/dbraw/zinc/66/28/24/436662824.db2.gz IGVXIMITPRUKAZ-MRXNPFEDSA-N 1 1 347.463 0.867 50 0 ECAAMO Nc1nnc(CCCNc2nc(N3CCC[C@H](O)C3)cc[nH+]2)s1 ZINC000065525768 436666843 /nfs/dbraw/zinc/66/68/43/436666843.db2.gz OXSJAFCEMXBZEO-JTQLQIEISA-N 1 1 335.437 0.916 50 0 ECAAMO CCc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229297025 436714484 /nfs/dbraw/zinc/71/44/84/436714484.db2.gz UZPFQHVCWPCLMD-UONOGXRCSA-N 1 1 334.424 0.396 50 0 ECAAMO CN1C(=O)COc2ccc(C(=O)NCC[C@H]3C[N@H+](C)CCO3)cc21 ZINC000067696130 436720429 /nfs/dbraw/zinc/72/04/29/436720429.db2.gz YKEDXRIZCREEDZ-ZDUSSCGKSA-N 1 1 333.388 0.492 50 0 ECAAMO CN1C(=O)COc2ccc(C(=O)NCC[C@H]3C[N@@H+](C)CCO3)cc21 ZINC000067696130 436720432 /nfs/dbraw/zinc/72/04/32/436720432.db2.gz YKEDXRIZCREEDZ-ZDUSSCGKSA-N 1 1 333.388 0.492 50 0 ECAAMO CC(C)(C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)N1CCOCC1 ZINC000067756123 436722127 /nfs/dbraw/zinc/72/21/27/436722127.db2.gz WGULFDKMCUYJLD-CQSZACIVSA-N 1 1 333.498 0.358 50 0 ECAAMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1COCC[NH2+]1 ZINC000238007777 436753520 /nfs/dbraw/zinc/75/35/20/436753520.db2.gz ACMYVRSMVMRVIK-ONGXEEELSA-N 1 1 349.214 0.838 50 0 ECAAMO Cn1cc(C[C@@H]2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC000245343905 436761242 /nfs/dbraw/zinc/76/12/42/436761242.db2.gz WJXKQMUZQWPTOO-XIRDDKMYSA-N 1 1 347.463 0.857 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000229914792 436716071 /nfs/dbraw/zinc/71/60/71/436716071.db2.gz OZTNDIXEYWBYFR-HUUCEWRRSA-N 1 1 348.407 0.058 50 0 ECAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000230597108 436717386 /nfs/dbraw/zinc/71/73/86/436717386.db2.gz WWBZPSRWZVTLNZ-ZDUSSCGKSA-N 1 1 331.420 0.498 50 0 ECAAMO CN(CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC[N@H+](C)C1 ZINC000230597108 436717390 /nfs/dbraw/zinc/71/73/90/436717390.db2.gz WWBZPSRWZVTLNZ-ZDUSSCGKSA-N 1 1 331.420 0.498 50 0 ECAAMO CN(CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC[N@@H+](C)C1 ZINC000230597108 436717393 /nfs/dbraw/zinc/71/73/93/436717393.db2.gz WWBZPSRWZVTLNZ-ZDUSSCGKSA-N 1 1 331.420 0.498 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C)C(=O)C1 ZINC000248764767 436810508 /nfs/dbraw/zinc/81/05/08/436810508.db2.gz GVRGHNHWOGDCAA-GDBMZVCRSA-N 1 1 330.432 0.991 50 0 ECAAMO CC(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000069489997 436775804 /nfs/dbraw/zinc/77/58/04/436775804.db2.gz KJEYMLNCMRCIOS-KRWDZBQOSA-N 1 1 347.463 0.713 50 0 ECAAMO CC(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000069489997 436775805 /nfs/dbraw/zinc/77/58/05/436775805.db2.gz KJEYMLNCMRCIOS-KRWDZBQOSA-N 1 1 347.463 0.713 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069569307 436780952 /nfs/dbraw/zinc/78/09/52/436780952.db2.gz ZPUJADZJIMJRDU-CQSZACIVSA-N 1 1 345.399 0.970 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1C ZINC000253414575 436844319 /nfs/dbraw/zinc/84/43/19/436844319.db2.gz XWKYGMPBPYFISM-DOTOQJQBSA-N 1 1 328.416 0.951 50 0 ECAAMO C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257179842 436856674 /nfs/dbraw/zinc/85/66/74/436856674.db2.gz JPPJVLCXQXANSR-UHFFFAOYSA-N 1 1 325.434 0.519 50 0 ECAAMO C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257179842 436856677 /nfs/dbraw/zinc/85/66/77/436856677.db2.gz JPPJVLCXQXANSR-UHFFFAOYSA-N 1 1 325.434 0.519 50 0 ECAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C12CCOCC2 ZINC000257175418 436856915 /nfs/dbraw/zinc/85/69/15/436856915.db2.gz AWADOYWBHOTILI-MRXNPFEDSA-N 1 1 346.431 0.961 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000252485408 436833437 /nfs/dbraw/zinc/83/34/37/436833437.db2.gz GUEICVHHFRWLTJ-MDZLAQPJSA-N 1 1 335.370 0.991 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000252504195 436835507 /nfs/dbraw/zinc/83/55/07/436835507.db2.gz VICTUSDMMQUEOY-LBPRGKRZSA-N 1 1 330.392 0.565 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]2C)CC1 ZINC000257366132 436876311 /nfs/dbraw/zinc/87/63/11/436876311.db2.gz KPTKNUKZUFJFQM-RDTXWAMCSA-N 1 1 344.459 0.770 50 0 ECAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](C[C@H](O)COCc3ccco3)C2)n[nH]1 ZINC000257365973 436877966 /nfs/dbraw/zinc/87/79/66/436877966.db2.gz DUTGEMSPMUPXEK-OLZOCXBDSA-N 1 1 348.403 0.859 50 0 ECAAMO Cn1cc(NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000188948595 437577764 /nfs/dbraw/zinc/57/77/64/437577764.db2.gz LIXMKBHGYAENSZ-UHFFFAOYSA-N 1 1 330.392 0.573 50 0 ECAAMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)C[C@@H]2C1 ZINC000192922846 437698772 /nfs/dbraw/zinc/69/87/72/437698772.db2.gz ZNOAUACQKPCIHF-BETUJISGSA-N 1 1 335.429 0.155 50 0 ECAAMO OC1CN(c2nc(NCC3(O)CCCCC3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426701450 438069978 /nfs/dbraw/zinc/06/99/78/438069978.db2.gz PNNALLIIZVUCRP-ZDUSSCGKSA-N 1 1 348.447 1.269 50 0 ECAAMO OC1CN(c2nc(NCC3CCOCC3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426661407 438070339 /nfs/dbraw/zinc/07/03/39/438070339.db2.gz WZLXXLYJEUGLLB-ZDUSSCGKSA-N 1 1 334.420 1.000 50 0 ECAAMO C[C@@H](NC(=O)N1CC[NH+](CCO)CC1)c1nc(-c2ccncc2)no1 ZINC000426697583 438071780 /nfs/dbraw/zinc/07/17/80/438071780.db2.gz TWAPHYHEFKDLSY-GFCCVEGCSA-N 1 1 346.391 0.512 50 0 ECAAMO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378415197 438385210 /nfs/dbraw/zinc/38/52/10/438385210.db2.gz FQSTZUQAYJOXQD-CRAIPNDOSA-N 1 1 342.443 0.577 50 0 ECAAMO CC[NH+]1CCC(CNC(=O)N(C)Cc2nc(C)no2)(N(C)C)CC1 ZINC000534630557 439531331 /nfs/dbraw/zinc/53/13/31/439531331.db2.gz PMUYOXDDEFCTRI-UHFFFAOYSA-N 1 1 338.456 0.936 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000534658737 439531513 /nfs/dbraw/zinc/53/15/13/439531513.db2.gz SWSAIGPPIIZDFY-CYBMUJFWSA-N 1 1 342.465 0.912 50 0 ECAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1nnc[nH]1 ZINC000584895273 439625900 /nfs/dbraw/zinc/62/59/00/439625900.db2.gz VLIDXDJXEOQFPH-DBQDNQAGSA-N 1 1 338.415 0.102 50 0 ECAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ncn[nH]1 ZINC000584895273 439625905 /nfs/dbraw/zinc/62/59/05/439625905.db2.gz VLIDXDJXEOQFPH-DBQDNQAGSA-N 1 1 338.415 0.102 50 0 ECAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ncn[nH]1 ZINC000584895273 439625908 /nfs/dbraw/zinc/62/59/08/439625908.db2.gz VLIDXDJXEOQFPH-DBQDNQAGSA-N 1 1 338.415 0.102 50 0 ECAAMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(=O)[nH]1 ZINC000584902687 439626497 /nfs/dbraw/zinc/62/64/97/439626497.db2.gz LPNMCBHJTOYUPZ-HNNXBMFYSA-N 1 1 342.399 0.791 50 0 ECAAMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc3nncn3c2)CC1 ZINC000332669237 320909301 /nfs/dbraw/zinc/90/93/01/320909301.db2.gz ZETSVMBEEFJDRC-UHFFFAOYSA-N 1 1 330.392 0.012 50 0 ECAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000028902279 523019079 /nfs/dbraw/zinc/01/90/79/523019079.db2.gz YXFZXTLJEFKSLE-NSHDSACASA-N 1 1 338.408 0.212 50 0 ECAAMO CC[C@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000028902279 523019085 /nfs/dbraw/zinc/01/90/85/523019085.db2.gz YXFZXTLJEFKSLE-NSHDSACASA-N 1 1 338.408 0.212 50 0 ECAAMO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000035349319 525156777 /nfs/dbraw/zinc/15/67/77/525156777.db2.gz JKRZCVYVJJOMJQ-RCBQFDQVSA-N 1 1 331.416 0.501 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](C)CCN1c1nc2nonc2nc1N1CCOCC1 ZINC000012573515 535234951 /nfs/dbraw/zinc/23/49/51/535234951.db2.gz XAQKZBJAVPXKPZ-GFCCVEGCSA-N 1 1 347.423 0.626 50 0 ECAAMO COCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082120491 545705740 /nfs/dbraw/zinc/70/57/40/545705740.db2.gz CHOJBNKVGGCLLK-MRXNPFEDSA-N 1 1 339.480 0.668 50 0 ECAAMO Cc1nnc2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cn12 ZINC000084297010 545710553 /nfs/dbraw/zinc/71/05/53/545710553.db2.gz DDVUVUFYUFYPGA-CABCVRRESA-N 1 1 329.404 0.709 50 0 ECAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)N1CCC[C@H]1COC ZINC000670438458 548011209 /nfs/dbraw/zinc/01/12/09/548011209.db2.gz TYCWRGVAHPTJGG-ZDUSSCGKSA-N 1 1 330.454 0.781 50 0 ECAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000670438644 548011349 /nfs/dbraw/zinc/01/13/49/548011349.db2.gz CABRTIBMAYNWEJ-AWEZNQCLSA-N 1 1 329.404 0.965 50 0 ECAAMO CN(C)C(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)CC1 ZINC000670444191 548012296 /nfs/dbraw/zinc/01/22/96/548012296.db2.gz ZFLSXTAYLRRVCS-HNNXBMFYSA-N 1 1 340.468 0.343 50 0 ECAAMO CN1CC[NH+](C(C)(C)CNC(=O)N(CCO)Cc2ccco2)CC1 ZINC000670468800 548017364 /nfs/dbraw/zinc/01/73/64/548017364.db2.gz NMUQIZNDSZXGTN-UHFFFAOYSA-N 1 1 338.452 0.810 50 0 ECAAMO CN(C[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952968816 612138925 /nfs/dbraw/zinc/13/89/25/612138925.db2.gz IIFIIOWJBCZJHW-NSHDSACASA-N 1 1 331.463 0.952 50 0 ECAAMO CN(C[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952968816 612138927 /nfs/dbraw/zinc/13/89/27/612138927.db2.gz IIFIIOWJBCZJHW-NSHDSACASA-N 1 1 331.463 0.952 50 0 ECAAMO Cc1cnn(CC2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000952967406 612139021 /nfs/dbraw/zinc/13/90/21/612139021.db2.gz BCNQXNCHUGOAHL-MRXNPFEDSA-N 1 1 347.463 0.627 50 0 ECAAMO COc1ccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)cc2c1 ZINC000952978390 612139807 /nfs/dbraw/zinc/13/98/07/612139807.db2.gz LUJWMMWAPIZUMG-GFCCVEGCSA-N 1 1 344.415 0.990 50 0 ECAAMO Cc1nncn1CC[N@@H+](C)CCNc1cc([C@H]2CCOC2)ncn1 ZINC000299793861 742119622 /nfs/dbraw/zinc/11/96/22/742119622.db2.gz HYYJMURPYQTNMF-AWEZNQCLSA-N 1 1 331.424 0.924 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000046463346 762661194 /nfs/dbraw/zinc/66/11/94/762661194.db2.gz FIHMHDFWIZSMHH-RIYZIHGNSA-N 1 1 337.445 0.741 50 0 ECAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000051055639 214076001 /nfs/dbraw/zinc/07/60/01/214076001.db2.gz XYATYIRLZBTZDU-CHWSQXEVSA-N 1 1 326.441 0.849 50 0 ECAAMO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091664366 282285129 /nfs/dbraw/zinc/28/51/29/282285129.db2.gz HMCMNHDPVTUEDA-IAGOWNOFSA-N 1 1 347.459 0.765 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004497926 210205216 /nfs/dbraw/zinc/20/52/16/210205216.db2.gz QORNHZPMSUWVLN-CYBMUJFWSA-N 1 1 333.388 0.632 50 0 ECAAMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000183392889 529808495 /nfs/dbraw/zinc/80/84/95/529808495.db2.gz HNFNEKDEVZYKPK-CABCVRRESA-N 1 1 343.493 0.937 50 0 ECAAMO CN(C)c1nc(N2C[C@H]3C[NH2+]C[C@@]3(C(=O)[O-])C2)c2c([nH+]1)CCCC2 ZINC000091915438 282315633 /nfs/dbraw/zinc/31/56/33/282315633.db2.gz ITCLXPPEFFQAFI-PIGZYNQJSA-N 1 1 331.420 0.532 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759621 213531158 /nfs/dbraw/zinc/53/11/58/213531158.db2.gz WJIJVSKAXSOPCG-JKSUJKDBSA-N 1 1 334.420 0.618 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040534843 213339389 /nfs/dbraw/zinc/33/93/89/213339389.db2.gz KMCLTSUOBJRTCF-HUUCEWRRSA-N 1 1 327.388 0.535 50 0 ECAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000040107861 213266848 /nfs/dbraw/zinc/26/68/48/213266848.db2.gz RYYMRIHADKVROB-MRXNPFEDSA-N 1 1 331.416 0.869 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccncc2)CC1 ZINC000045401615 283288127 /nfs/dbraw/zinc/28/81/27/283288127.db2.gz SHROVJNORKZACF-HNNXBMFYSA-N 1 1 331.420 0.878 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000091321597 283288488 /nfs/dbraw/zinc/28/84/88/283288488.db2.gz IJYQDNINXDPGGK-CQSZACIVSA-N 1 1 347.415 0.661 50 0 ECAAMO NC(=O)COc1ccc(Cl)cc1C[N@H+]1CCC[C@@](O)(CO)CC1 ZINC000072152406 216041497 /nfs/dbraw/zinc/04/14/97/216041497.db2.gz OFIMUOKSGKLFIU-INIZCTEOSA-N 1 1 342.823 0.913 50 0 ECAAMO CCc1nc(C)ccc1OCC(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072164879 216054656 /nfs/dbraw/zinc/05/46/56/216054656.db2.gz KLAACIGJYMACNE-OAHLLOKOSA-N 1 1 346.431 0.410 50 0 ECAAMO O=C(NC1CC1)[C@H]1C[N@@H+](Cc2ccccc2Cn2cccn2)CCN1 ZINC000072166834 216058158 /nfs/dbraw/zinc/05/81/58/216058158.db2.gz VULVBVGURJCGBN-GOSISDBHSA-N 1 1 339.443 0.984 50 0 ECAAMO O=C(NC1CC1)[C@H]1CN(Cc2ccccc2Cn2cccn2)CC[NH2+]1 ZINC000072166834 216058162 /nfs/dbraw/zinc/05/81/62/216058162.db2.gz VULVBVGURJCGBN-GOSISDBHSA-N 1 1 339.443 0.984 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000193932453 240367057 /nfs/dbraw/zinc/36/70/57/240367057.db2.gz HKSSDGQWZYHQRF-STQMWFEESA-N 1 1 342.465 0.889 50 0 ECAAMO O=C([C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCCO1 ZINC000023506487 212381422 /nfs/dbraw/zinc/38/14/22/212381422.db2.gz IGCKRZDCKATWDJ-CQSZACIVSA-N 1 1 325.409 0.111 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179577 /nfs/dbraw/zinc/17/95/77/242179577.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 1 1 335.492 0.866 50 0 ECAAMO C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179581 /nfs/dbraw/zinc/17/95/81/242179581.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 1 1 335.492 0.866 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000229827959 242203166 /nfs/dbraw/zinc/20/31/66/242203166.db2.gz KJAARJLGOCTSAX-ILXRZTDVSA-N 1 1 338.452 0.346 50 0 ECAAMO O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 ZINC000243914721 243033415 /nfs/dbraw/zinc/03/34/15/243033415.db2.gz BJZGRIHGVRXSDC-JOCQHMNTSA-N 1 1 349.435 0.190 50 0 ECAAMO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)CC1(CO)CCOCC1 ZINC000244659487 243049165 /nfs/dbraw/zinc/04/91/65/243049165.db2.gz HDLKBEVPMSWQFG-UHFFFAOYSA-N 1 1 335.404 0.445 50 0 ECAAMO C[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)CC1(CO)CCOCC1 ZINC000244659487 243049171 /nfs/dbraw/zinc/04/91/71/243049171.db2.gz HDLKBEVPMSWQFG-UHFFFAOYSA-N 1 1 335.404 0.445 50 0 ECAAMO C[NH+](C)[C@H]1CCN(CC(=O)NCCc2n[nH]c(-c3cccnc3)n2)C1 ZINC000244778767 243080350 /nfs/dbraw/zinc/08/03/50/243080350.db2.gz PWEKGTNYBXDLKT-AWEZNQCLSA-N 1 1 343.435 0.161 50 0 ECAAMO C[NH+](C)[C@H]1CCN(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)C1 ZINC000244778767 243080355 /nfs/dbraw/zinc/08/03/55/243080355.db2.gz PWEKGTNYBXDLKT-AWEZNQCLSA-N 1 1 343.435 0.161 50 0 ECAAMO [NH3+][C@H]1C[C@H](c2nnc(CNCCN3CCC(O)CC3)n2C2CC2)C1 ZINC000244788005 243082810 /nfs/dbraw/zinc/08/28/10/243082810.db2.gz QHNQZNOTXZZFOZ-JOCQHMNTSA-N 1 1 334.468 0.364 50 0 ECAAMO Cc1cc(=O)n(CCN2CC[N@@H+](CC3CC3)[C@H](CCO)C2)c(=O)[nH]1 ZINC000253536440 244012390 /nfs/dbraw/zinc/01/23/90/244012390.db2.gz FVHRKDPZZFNXET-OAHLLOKOSA-N 1 1 336.436 0.036 50 0 ECAAMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012313887 211342083 /nfs/dbraw/zinc/34/20/83/211342083.db2.gz HTMFZKRSIQONFZ-CQSZACIVSA-N 1 1 332.383 0.983 50 0 ECAAMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012313887 211342089 /nfs/dbraw/zinc/34/20/89/211342089.db2.gz HTMFZKRSIQONFZ-CQSZACIVSA-N 1 1 332.383 0.983 50 0 ECAAMO NC(=O)c1noc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091412454 218002291 /nfs/dbraw/zinc/00/22/91/218002291.db2.gz KMQDFAJWHCFJPH-INIZCTEOSA-N 1 1 333.392 0.393 50 0 ECAAMO NC(=O)c1noc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000091412454 218002294 /nfs/dbraw/zinc/00/22/94/218002294.db2.gz KMQDFAJWHCFJPH-INIZCTEOSA-N 1 1 333.392 0.393 50 0 ECAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CNC(N)=O)C3)cc1 ZINC000091444943 218007223 /nfs/dbraw/zinc/00/72/23/218007223.db2.gz MMOTUDBFGLWNPL-LSDHHAIUSA-N 1 1 346.431 0.786 50 0 ECAAMO COCc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)cn1 ZINC000091616793 218031779 /nfs/dbraw/zinc/03/17/79/218031779.db2.gz ZDRAVLMLGZZZPQ-QGZVFWFLSA-N 1 1 334.420 0.430 50 0 ECAAMO CNc1nc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)nc2c1CCC2 ZINC000091595920 218029288 /nfs/dbraw/zinc/02/92/88/218029288.db2.gz BYOVJLRMUPQCIT-SFHVURJKSA-N 1 1 344.463 0.798 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C[C@]12CCNC(=O)CC2 ZINC000091625100 218034856 /nfs/dbraw/zinc/03/48/56/218034856.db2.gz CBPPMDFZOIOMNC-KRWDZBQOSA-N 1 1 331.420 0.714 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(CO)o1)C2 ZINC000091745449 218056655 /nfs/dbraw/zinc/05/66/55/218056655.db2.gz VYBPKIVUXJRBSM-QWHCGFSZSA-N 1 1 335.404 0.397 50 0 ECAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(CO)o1)C2 ZINC000091745449 218056658 /nfs/dbraw/zinc/05/66/58/218056658.db2.gz VYBPKIVUXJRBSM-QWHCGFSZSA-N 1 1 335.404 0.397 50 0 ECAAMO C[N@H+]1CCN(Cc2ccc(OCCO)cc2)C[C@]12CCNC(=O)CC2 ZINC000091876594 218082216 /nfs/dbraw/zinc/08/22/16/218082216.db2.gz GMZXAKRZHSIGND-IBGZPJMESA-N 1 1 347.459 0.844 50 0 ECAAMO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)C1 ZINC000091876946 218082344 /nfs/dbraw/zinc/08/23/44/218082344.db2.gz FTPGYCWHLFZTJP-KRWDZBQOSA-N 1 1 332.448 0.891 50 0 ECAAMO Cc1[nH]ccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000092019915 218105023 /nfs/dbraw/zinc/10/50/23/218105023.db2.gz JOXMCFGYSUSOKS-HZPDHXFCSA-N 1 1 334.464 0.641 50 0 ECAAMO Cc1[nH]ccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000092019915 218105026 /nfs/dbraw/zinc/10/50/26/218105026.db2.gz JOXMCFGYSUSOKS-HZPDHXFCSA-N 1 1 334.464 0.641 50 0 ECAAMO Cc1[nH]ccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000092019915 218105027 /nfs/dbraw/zinc/10/50/27/218105027.db2.gz JOXMCFGYSUSOKS-HZPDHXFCSA-N 1 1 334.464 0.641 50 0 ECAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000092066093 218113432 /nfs/dbraw/zinc/11/34/32/218113432.db2.gz NWLAIGXOIDJCQM-CYBMUJFWSA-N 1 1 341.371 0.785 50 0 ECAAMO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CC(=O)N1CCCC1 ZINC000010228960 211155600 /nfs/dbraw/zinc/15/56/00/211155600.db2.gz BDBXGBHSVAJFAF-UHFFFAOYSA-N 1 1 346.431 0.957 50 0 ECAAMO Cc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095361271 218294682 /nfs/dbraw/zinc/29/46/82/218294682.db2.gz QAMIQMPIUPTRGO-DZGCQCFKSA-N 1 1 334.424 0.083 50 0 ECAAMO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCC[N@H+](C)CC2)on1 ZINC000095361163 218294804 /nfs/dbraw/zinc/29/48/04/218294804.db2.gz ITDHNUNDTBDLCI-ZBFHGGJFSA-N 1 1 336.436 0.294 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000095380930 218313466 /nfs/dbraw/zinc/31/34/66/218313466.db2.gz QUGNOFFGGLCBAR-GFCCVEGCSA-N 1 1 335.339 0.487 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000095433265 218375410 /nfs/dbraw/zinc/37/54/10/218375410.db2.gz JFLQFUZRBMWQDW-QKPAOTATSA-N 1 1 347.525 0.986 50 0 ECAAMO CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000095433265 218375413 /nfs/dbraw/zinc/37/54/13/218375413.db2.gz JFLQFUZRBMWQDW-QKPAOTATSA-N 1 1 347.525 0.986 50 0 ECAAMO O=C(c1cc[nH]n1)N1CC[N@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097551341 219034729 /nfs/dbraw/zinc/03/47/29/219034729.db2.gz AHEZUQFREYYXJZ-INIZCTEOSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1cc[nH]n1)N1CC[N@@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097551341 219034731 /nfs/dbraw/zinc/03/47/31/219034731.db2.gz AHEZUQFREYYXJZ-INIZCTEOSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1ccn[nH]1)N1CC[N@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097551341 219034734 /nfs/dbraw/zinc/03/47/34/219034734.db2.gz AHEZUQFREYYXJZ-INIZCTEOSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1ccn[nH]1)N1CC[N@@H+](CCOCc2ccccc2)C[C@H](O)C1 ZINC000097551341 219034736 /nfs/dbraw/zinc/03/47/36/219034736.db2.gz AHEZUQFREYYXJZ-INIZCTEOSA-N 1 1 344.415 0.745 50 0 ECAAMO O=C(c1cnc(-c2cccs2)nc1)N1CC[N@@H+](CCO)C[C@H](O)C1 ZINC000097547663 219034884 /nfs/dbraw/zinc/03/48/84/219034884.db2.gz LHSITDBQQVQRMX-ZDUSSCGKSA-N 1 1 348.428 0.316 50 0 ECAAMO O=C(c1cnc(-c2cccs2)nc1)N1CC[N@H+](CCO)C[C@H](O)C1 ZINC000097547663 219034888 /nfs/dbraw/zinc/03/48/88/219034888.db2.gz LHSITDBQQVQRMX-ZDUSSCGKSA-N 1 1 348.428 0.316 50 0 ECAAMO OCCOc1ccccc1C[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299802818 258105727 /nfs/dbraw/zinc/10/57/27/258105727.db2.gz QMSVEIDXKINNFD-RDJZCZTQSA-N 1 1 330.388 0.995 50 0 ECAAMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCS(N)(=O)=O)c1 ZINC000095395227 258066731 /nfs/dbraw/zinc/06/67/31/258066731.db2.gz MQUMMRLECKWBFH-OAHLLOKOSA-N 1 1 339.461 0.754 50 0 ECAAMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCS(N)(=O)=O)c1 ZINC000095395227 258066733 /nfs/dbraw/zinc/06/67/33/258066733.db2.gz MQUMMRLECKWBFH-OAHLLOKOSA-N 1 1 339.461 0.754 50 0 ECAAMO O[C@]1(CN2CCN(CCCOc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000077453154 285376514 /nfs/dbraw/zinc/37/65/14/285376514.db2.gz HTZRZSXGYWZLPA-GOSISDBHSA-N 1 1 337.439 0.937 50 0 ECAAMO COCC1(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)CCC1 ZINC000092001840 292212052 /nfs/dbraw/zinc/21/20/52/292212052.db2.gz TTZMTLGYIJXDAK-GOSISDBHSA-N 1 1 337.464 0.958 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC000285727782 264336404 /nfs/dbraw/zinc/33/64/04/264336404.db2.gz KDOJLOSAWNVXCG-HOTGVXAUSA-N 1 1 327.388 0.812 50 0 ECAAMO C[NH+]1CCN([C@@H]2CCN(c3noc(-c4ccccc4)n3)C[C@H]2O)CC1 ZINC000071615230 277111139 /nfs/dbraw/zinc/11/11/39/277111139.db2.gz JUGZECTXCNBDTM-HZPDHXFCSA-N 1 1 343.431 0.924 50 0 ECAAMO CC(=O)NCCC(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082106613 278097735 /nfs/dbraw/zinc/09/77/35/278097735.db2.gz PNLSNOPXXGOTLA-UHFFFAOYSA-N 1 1 335.452 0.887 50 0 ECAAMO CC[C@](C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000041406235 288393268 /nfs/dbraw/zinc/39/32/68/288393268.db2.gz VQYGJVYDARQQIQ-UKRRQHHQSA-N 1 1 347.481 0.028 50 0 ECAAMO NS(=O)(=O)c1ccccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000190297527 437618970 /nfs/dbraw/zinc/61/89/70/437618970.db2.gz TZAFQRORGRGVAK-UHFFFAOYSA-N 1 1 335.433 0.353 50 0 ECAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](C(CO)CO)C1 ZINC000072475955 294152830 /nfs/dbraw/zinc/15/28/30/294152830.db2.gz MGXMDWJFSQPIRA-CQSZACIVSA-N 1 1 337.468 0.334 50 0 ECAAMO C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738446 435961820 /nfs/dbraw/zinc/96/18/20/435961820.db2.gz DIBJKSBMBZZDBP-SJLPKXTDSA-N 1 1 346.475 0.819 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069780261 435964355 /nfs/dbraw/zinc/96/43/55/435964355.db2.gz VCDISGKJWIIFCU-STQMWFEESA-N 1 1 337.386 0.834 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000069773917 435965121 /nfs/dbraw/zinc/96/51/21/435965121.db2.gz ULAKGQMENQIBHE-ZDUSSCGKSA-N 1 1 344.415 0.462 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000069773491 435965652 /nfs/dbraw/zinc/96/56/52/435965652.db2.gz GINFFNKUJFFAGK-UHFFFAOYSA-N 1 1 337.386 0.834 50 0 ECAAMO NC(=O)NC(=O)CC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000069773160 435966112 /nfs/dbraw/zinc/96/61/12/435966112.db2.gz AEDVODFXCZQRCV-UHFFFAOYSA-N 1 1 334.376 0.778 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000069816834 435968624 /nfs/dbraw/zinc/96/86/24/435968624.db2.gz ZUQWGYSKFHTMSY-CQSZACIVSA-N 1 1 348.451 0.937 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000069976698 435979151 /nfs/dbraw/zinc/97/91/51/435979151.db2.gz AEJNCLOLRXWUGS-QWHCGFSZSA-N 1 1 337.386 0.834 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000069622333 435949740 /nfs/dbraw/zinc/94/97/40/435949740.db2.gz DKMVWVGGVXNVTA-UHFFFAOYSA-N 1 1 330.388 0.452 50 0 ECAAMO C[NH+]1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000000347883 435951864 /nfs/dbraw/zinc/95/18/64/435951864.db2.gz NXDJWEINEGQCBN-MRXNPFEDSA-N 1 1 330.432 0.992 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000069652180 435953662 /nfs/dbraw/zinc/95/36/62/435953662.db2.gz FGPSEPMQIGVOCH-OAHLLOKOSA-N 1 1 330.432 0.621 50 0 ECAAMO Cc1nn2c(nc(C)cc2C)c1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000071810500 436013152 /nfs/dbraw/zinc/01/31/52/436013152.db2.gz FGCNMQDTDDAHRC-UHFFFAOYSA-N 1 1 344.419 0.334 50 0 ECAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000071875366 436021638 /nfs/dbraw/zinc/02/16/38/436021638.db2.gz OGZOGXLPBVCGOF-CQSZACIVSA-N 1 1 331.420 0.644 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC000071880106 436024326 /nfs/dbraw/zinc/02/43/26/436024326.db2.gz AXZWCYIDKACOFG-CQSZACIVSA-N 1 1 335.404 0.861 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000071877363 436025313 /nfs/dbraw/zinc/02/53/13/436025313.db2.gz VOCFFWCNNZMYKO-JYJNAYRXSA-N 1 1 325.453 0.155 50 0 ECAAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000071905622 436028917 /nfs/dbraw/zinc/02/89/17/436028917.db2.gz CVUCWCLAUKHHKT-ZIAGYGMSSA-N 1 1 347.481 0.028 50 0 ECAAMO CCN(C[C@@H]1CCOC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000071920330 436030514 /nfs/dbraw/zinc/03/05/14/436030514.db2.gz JHEKMXOICWAFTL-GJZGRUSLSA-N 1 1 340.468 0.642 50 0 ECAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 ZINC000072156399 436033463 /nfs/dbraw/zinc/03/34/63/436033463.db2.gz GOUKRZXCSSLZKT-OAHLLOKOSA-N 1 1 339.461 0.659 50 0 ECAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)nc1 ZINC000019815426 436108145 /nfs/dbraw/zinc/10/81/45/436108145.db2.gz PTEKHXZSSDCWAW-UHFFFAOYSA-N 1 1 342.465 0.226 50 0 ECAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)COC)CC2)CC1 ZINC000015062491 436074920 /nfs/dbraw/zinc/07/49/20/436074920.db2.gz BOWLJZDXGCXUEL-UHFFFAOYSA-N 1 1 325.453 0.816 50 0 ECAAMO Cc1cc(C)c(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(=O)[nH]1 ZINC000075117972 436153210 /nfs/dbraw/zinc/15/32/10/436153210.db2.gz JKBDWXIKJSVWFZ-OAHLLOKOSA-N 1 1 348.447 0.998 50 0 ECAAMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000022840466 436121204 /nfs/dbraw/zinc/12/12/04/436121204.db2.gz YXXXVFMRXOOMRN-CQSZACIVSA-N 1 1 328.372 0.052 50 0 ECAAMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000022840466 436121211 /nfs/dbraw/zinc/12/12/11/436121211.db2.gz YXXXVFMRXOOMRN-CQSZACIVSA-N 1 1 328.372 0.052 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccn1 ZINC000023098970 436121368 /nfs/dbraw/zinc/12/13/68/436121368.db2.gz WKPQWBXZTFKHSV-UHFFFAOYSA-N 1 1 326.404 0.814 50 0 ECAAMO COCCOc1ncccc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000075606443 436165446 /nfs/dbraw/zinc/16/54/46/436165446.db2.gz HCRLZKSMEJGOFI-JKSUJKDBSA-N 1 1 349.431 0.778 50 0 ECAAMO Cc1cc(N2CCN(c3cc(N)[nH+]cn3)C[C@@H](C(=O)[O-])C2)cc[nH+]1 ZINC000217476031 301339119 /nfs/dbraw/zinc/33/91/19/301339119.db2.gz VYKPYMCTZNOEKH-LBPRGKRZSA-N 1 1 328.376 0.790 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2C)CC1 ZINC000076055810 436189814 /nfs/dbraw/zinc/18/98/14/436189814.db2.gz WZWSEQRNUKMNGF-RDJZCZTQSA-N 1 1 336.480 0.483 50 0 ECAAMO Cn1nc2c(cc1=O)C[N@H+](CCc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000076064754 436191934 /nfs/dbraw/zinc/19/19/34/436191934.db2.gz MOIWXHISLLLYPX-UHFFFAOYSA-N 1 1 337.383 0.618 50 0 ECAAMO C[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000076938349 436217110 /nfs/dbraw/zinc/21/71/10/436217110.db2.gz STHAOAHTTSVBNU-UHFFFAOYSA-N 1 1 332.372 0.999 50 0 ECAAMO COc1ccccc1COC[C@H](O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000032721081 436243106 /nfs/dbraw/zinc/24/31/06/436243106.db2.gz QIBURKMDEPYBQT-HUUCEWRRSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000032721081 436243109 /nfs/dbraw/zinc/24/31/09/436243109.db2.gz QIBURKMDEPYBQT-HUUCEWRRSA-N 1 1 343.445 0.692 50 0 ECAAMO Cc1ccc(OC2(C(=O)N[C@H](C)c3nn[nH]n3)CC[NH2+]CC2)cc1 ZINC000077318854 436230354 /nfs/dbraw/zinc/23/03/54/436230354.db2.gz HSFWCVMVNAEXIO-GFCCVEGCSA-N 1 1 330.392 0.887 50 0 ECAAMO CC1=CCN(c2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1 ZINC000077342233 436233186 /nfs/dbraw/zinc/23/31/86/436233186.db2.gz KCLQFRVVWTWHQZ-UONOGXRCSA-N 1 1 349.460 0.208 50 0 ECAAMO CCCn1nc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1=O ZINC000044911326 436352216 /nfs/dbraw/zinc/35/22/16/436352216.db2.gz KTAXZWWHQOYGAC-HNNXBMFYSA-N 1 1 348.447 0.980 50 0 ECAAMO O=C(C[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000042722586 436313576 /nfs/dbraw/zinc/31/35/76/436313576.db2.gz MCBMZSPUMXHLER-GFCCVEGCSA-N 1 1 336.417 0.381 50 0 ECAAMO CC[C@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736107 436384773 /nfs/dbraw/zinc/38/47/73/436384773.db2.gz CSJUPUURJOBMOY-ZFWWWQNUSA-N 1 1 329.404 0.912 50 0 ECAAMO CC[N@H+]1CCC[C@](O)(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000046087859 436385326 /nfs/dbraw/zinc/38/53/26/436385326.db2.gz YGURYQVPHZCFHK-DOTOQJQBSA-N 1 1 325.453 0.156 50 0 ECAAMO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCN(C)CC1)n1cncn1 ZINC000044940876 436355212 /nfs/dbraw/zinc/35/52/12/436355212.db2.gz DIJNEPMGWLSPLS-HNNXBMFYSA-N 1 1 342.447 0.903 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044941714 436356111 /nfs/dbraw/zinc/35/61/11/436356111.db2.gz XDQBIOXGTPEDHZ-HZPDHXFCSA-N 1 1 341.415 0.925 50 0 ECAAMO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000048044920 436439132 /nfs/dbraw/zinc/43/91/32/436439132.db2.gz QYCDQHRHKMKKJJ-CYBMUJFWSA-N 1 1 345.465 0.511 50 0 ECAAMO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000048044920 436439135 /nfs/dbraw/zinc/43/91/35/436439135.db2.gz QYCDQHRHKMKKJJ-CYBMUJFWSA-N 1 1 345.465 0.511 50 0 ECAAMO CN1CCN(c2cc(CNC(=O)NCC[NH+]3CCCC3)ccn2)CC1 ZINC000048326806 436449835 /nfs/dbraw/zinc/44/98/35/436449835.db2.gz SNUGHBDGBBMOSS-UHFFFAOYSA-N 1 1 346.479 0.728 50 0 ECAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000091364811 436451008 /nfs/dbraw/zinc/45/10/08/436451008.db2.gz QMDNCFMQEBPLGE-AWEZNQCLSA-N 1 1 347.463 0.484 50 0 ECAAMO COCCn1ccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000091643550 436456242 /nfs/dbraw/zinc/45/62/42/436456242.db2.gz IPJAKGDDXQSEMH-HNNXBMFYSA-N 1 1 336.436 0.568 50 0 ECAAMO C[C@H]1CN(C(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)CCO1 ZINC000047258290 436414164 /nfs/dbraw/zinc/41/41/64/436414164.db2.gz VERSWMGXAQKMNL-ZDUSSCGKSA-N 1 1 333.436 0.651 50 0 ECAAMO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3cccc(C(N)=O)c3)C2)C1=O ZINC000089869849 436420059 /nfs/dbraw/zinc/42/00/59/436420059.db2.gz YUPJMRPHDHXZOP-KRWDZBQOSA-N 1 1 330.388 0.690 50 0 ECAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)C1=O ZINC000089869849 436420062 /nfs/dbraw/zinc/42/00/62/436420062.db2.gz YUPJMRPHDHXZOP-KRWDZBQOSA-N 1 1 330.388 0.690 50 0 ECAAMO C[C@@H](Cc1ccnn1C)C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000096009211 436502856 /nfs/dbraw/zinc/50/28/56/436502856.db2.gz NFKHRZVLNRDQMO-ZDUSSCGKSA-N 1 1 333.436 0.022 50 0 ECAAMO Cc1ccc2c(c1)CCCN2C(=O)CN1CC[N@@H+](CCO)C[C@H](O)C1 ZINC000097076655 436537849 /nfs/dbraw/zinc/53/78/49/436537849.db2.gz STJFZBPOYMNZRX-KRWDZBQOSA-N 1 1 347.459 0.245 50 0 ECAAMO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@@H]1CCCCNC1=O ZINC000097200693 436542661 /nfs/dbraw/zinc/54/26/61/436542661.db2.gz KQEWKXXVRSLBNF-LSDHHAIUSA-N 1 1 345.447 0.600 50 0 ECAAMO O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@@H]1CCCCNC1=O ZINC000097200693 436542666 /nfs/dbraw/zinc/54/26/66/436542666.db2.gz KQEWKXXVRSLBNF-LSDHHAIUSA-N 1 1 345.447 0.600 50 0 ECAAMO COc1ccc(OC)c2c1C[N@H+](C[C@@H](O)Cn1cccn1)C[C@@H]2O ZINC000106108035 436589755 /nfs/dbraw/zinc/58/97/55/436589755.db2.gz TXHGYRRZIVRTAE-OCCSQVGLSA-N 1 1 333.388 0.810 50 0 ECAAMO COc1ccc(OC)c2c1C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@@H]2O ZINC000106108035 436589759 /nfs/dbraw/zinc/58/97/59/436589759.db2.gz TXHGYRRZIVRTAE-OCCSQVGLSA-N 1 1 333.388 0.810 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000106664864 436600842 /nfs/dbraw/zinc/60/08/42/436600842.db2.gz KIUKRJHDMQFJEB-OAGGEKHMSA-N 1 1 333.436 0.913 50 0 ECAAMO CCC[NH+]1CCN(C(=O)c2nc3c(cnn3C)c(N(C)C)n2)CC1 ZINC000065257179 436653981 /nfs/dbraw/zinc/65/39/81/436653981.db2.gz BHLOWRDBPMDLJU-UHFFFAOYSA-N 1 1 331.424 0.597 50 0 ECAAMO CO[C@@H]1COCC[C@H]1NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000220133690 436699352 /nfs/dbraw/zinc/69/93/52/436699352.db2.gz QNDBJFPTGBKUMQ-HUUCEWRRSA-N 1 1 349.435 0.071 50 0 ECAAMO CS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000065443989 436662195 /nfs/dbraw/zinc/66/21/95/436662195.db2.gz QBKVHIKOCNDDJX-UONOGXRCSA-N 1 1 344.481 0.336 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)C1 ZINC000065520447 436664746 /nfs/dbraw/zinc/66/47/46/436664746.db2.gz DTMXUGXYBNYMFS-ZDUSSCGKSA-N 1 1 329.441 0.984 50 0 ECAAMO O=C(N1CCCNC(=O)C1)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000065508592 436665244 /nfs/dbraw/zinc/66/52/44/436665244.db2.gz FBENTTHTNFKRAL-VQIMIIECSA-N 1 1 342.443 0.057 50 0 ECAAMO Nc1nnc(CCCNc2nc(N3CCC[C@@H](O)C3)cc[nH+]2)s1 ZINC000065525770 436666849 /nfs/dbraw/zinc/66/68/49/436666849.db2.gz OXSJAFCEMXBZEO-SNVBAGLBSA-N 1 1 335.437 0.916 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000065550724 436667077 /nfs/dbraw/zinc/66/70/77/436667077.db2.gz XJBKOJNCJWIFLW-KBPBESRZSA-N 1 1 339.461 0.859 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000065550724 436667079 /nfs/dbraw/zinc/66/70/79/436667079.db2.gz XJBKOJNCJWIFLW-KBPBESRZSA-N 1 1 339.461 0.859 50 0 ECAAMO CCN(C(=O)C[N@@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)C1CC1 ZINC000229306449 436714357 /nfs/dbraw/zinc/71/43/57/436714357.db2.gz BNXUKWONGCVBRO-YOEHRIQHSA-N 1 1 336.480 0.482 50 0 ECAAMO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153434976 436756484 /nfs/dbraw/zinc/75/64/84/436756484.db2.gz GQFURWXKZODURY-QWRGUYRKSA-N 1 1 342.403 0.287 50 0 ECAAMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000242324413 436758925 /nfs/dbraw/zinc/75/89/25/436758925.db2.gz ZBBYTGXPFOVBOO-MELADBBJSA-N 1 1 329.466 0.544 50 0 ECAAMO CCCn1nnnc1CN1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229828859 436716418 /nfs/dbraw/zinc/71/64/18/436716418.db2.gz ZUQOVGQFXLWCTE-HOCLYGCPSA-N 1 1 349.483 0.458 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229828933 436716473 /nfs/dbraw/zinc/71/64/73/436716473.db2.gz OFLDLVBBGMBCMN-MAUKXSAKSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229828933 436716476 /nfs/dbraw/zinc/71/64/76/436716476.db2.gz OFLDLVBBGMBCMN-MAUKXSAKSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229828933 436716478 /nfs/dbraw/zinc/71/64/78/436716478.db2.gz OFLDLVBBGMBCMN-MAUKXSAKSA-N 1 1 333.480 0.837 50 0 ECAAMO NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248769455 436810986 /nfs/dbraw/zinc/81/09/86/436810986.db2.gz OJGRMZMZHUJAKA-LSDHHAIUSA-N 1 1 344.415 0.645 50 0 ECAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCNS(C)(=O)=O)ccn1 ZINC000069418738 436773204 /nfs/dbraw/zinc/77/32/04/436773204.db2.gz DLQJOGISXBHYIU-UHFFFAOYSA-N 1 1 337.405 0.131 50 0 ECAAMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000069513558 436777275 /nfs/dbraw/zinc/77/72/75/436777275.db2.gz UFGLPOQHDLXNCB-SFHVURJKSA-N 1 1 345.443 0.798 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CSc3ccccc3O2)CC1 ZINC000069570882 436780851 /nfs/dbraw/zinc/78/08/51/436780851.db2.gz YIOOEKKHYQZWIR-CQSZACIVSA-N 1 1 349.456 0.866 50 0 ECAAMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000247447354 436794659 /nfs/dbraw/zinc/79/46/59/436794659.db2.gz SLQGURQMKZZOKB-NWDGAFQWSA-N 1 1 345.490 0.871 50 0 ECAAMO CC(C)C[N@@H+]1CCc2nnc([C@@H]3CCN(C(=O)CCO)C3)n2CC1 ZINC000257187555 436856606 /nfs/dbraw/zinc/85/66/06/436856606.db2.gz BQRATJJEZYOPFI-CQSZACIVSA-N 1 1 335.452 0.491 50 0 ECAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000257366257 436876325 /nfs/dbraw/zinc/87/63/25/436876325.db2.gz POYFYPVOWNMBJQ-HIFRSBDPSA-N 1 1 331.482 0.901 50 0 ECAAMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000162065008 436900858 /nfs/dbraw/zinc/90/08/58/436900858.db2.gz UVYUPJOATAUGDF-UHFFFAOYSA-N 1 1 333.314 0.548 50 0 ECAAMO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@H+]1Cc1ccccc1 ZINC000185642538 437448123 /nfs/dbraw/zinc/44/81/23/437448123.db2.gz IJRYPPRTWXQBMA-IWCQGFGOSA-N 1 1 333.432 0.787 50 0 ECAAMO COCC1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426510514 438062491 /nfs/dbraw/zinc/06/24/91/438062491.db2.gz WXVQWYXIUGLPHW-AWEZNQCLSA-N 1 1 336.436 1.248 50 0 ECAAMO C[N@H+]1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1(C)C ZINC000426546211 438066803 /nfs/dbraw/zinc/06/68/03/438066803.db2.gz OEBMINLKFJQRCA-ZDUSSCGKSA-N 1 1 335.452 0.915 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000458226589 438866506 /nfs/dbraw/zinc/86/65/06/438866506.db2.gz STJOAVALSBJGOH-LBPRGKRZSA-N 1 1 340.449 0.451 50 0 ECAAMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000583652304 439495278 /nfs/dbraw/zinc/49/52/78/439495278.db2.gz FNKWUSUDUDCGIE-CYBMUJFWSA-N 1 1 330.454 0.426 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000583652304 439495285 /nfs/dbraw/zinc/49/52/85/439495285.db2.gz FNKWUSUDUDCGIE-CYBMUJFWSA-N 1 1 330.454 0.426 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534575221 439528815 /nfs/dbraw/zinc/52/88/15/439528815.db2.gz SQLBBHIOTWLFEE-STQMWFEESA-N 1 1 328.438 0.606 50 0 ECAAMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C[C@@H]1C ZINC000585130002 439634042 /nfs/dbraw/zinc/63/40/42/439634042.db2.gz DTOCJDLCHGKMKX-ZNMIVQPWSA-N 1 1 345.509 0.989 50 0 ECAAMO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000330665596 320850104 /nfs/dbraw/zinc/85/01/04/320850104.db2.gz RRCRFDYTHMYXSI-HNNXBMFYSA-N 1 1 334.482 0.785 50 0 ECAAMO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000035349320 525155941 /nfs/dbraw/zinc/15/59/41/525155941.db2.gz JKRZCVYVJJOMJQ-MAZHCROVSA-N 1 1 331.416 0.501 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000084304092 545710290 /nfs/dbraw/zinc/71/02/90/545710290.db2.gz UVMJKGOCSSOMJI-OAHLLOKOSA-N 1 1 346.479 0.819 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000084281244 545710592 /nfs/dbraw/zinc/71/05/92/545710592.db2.gz OWVCQLQALJDQOR-HNNXBMFYSA-N 1 1 332.408 0.777 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000084735917 545712646 /nfs/dbraw/zinc/71/26/46/545712646.db2.gz YWFVYLIBOSNBBA-HUUCEWRRSA-N 1 1 334.420 0.121 50 0 ECAAMO CCc1nccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)n1 ZINC000244853060 545935924 /nfs/dbraw/zinc/93/59/24/545935924.db2.gz VELUEJYRVMSNHZ-DZGCQCFKSA-N 1 1 345.447 0.550 50 0 ECAAMO CCc1nccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)n1 ZINC000244853060 545935927 /nfs/dbraw/zinc/93/59/27/545935927.db2.gz VELUEJYRVMSNHZ-DZGCQCFKSA-N 1 1 345.447 0.550 50 0 ECAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)c1cnn(C)c1)CC2 ZINC000169789515 609746570 /nfs/dbraw/zinc/74/65/70/609746570.db2.gz WQEOKJHURIGTRZ-HNNXBMFYSA-N 1 1 336.436 0.213 50 0 ECAAMO Nc1ncncc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000192380096 611990550 /nfs/dbraw/zinc/99/05/50/611990550.db2.gz QOQSRGVBOOMXQD-AWEZNQCLSA-N 1 1 327.388 0.555 50 0 ECAAMO Cc1nc(CCNC(=O)[C@H](C)N2CC[NH+](C)CC2)nc2c1CCCC2 ZINC000426575154 753290478 /nfs/dbraw/zinc/29/04/78/753290478.db2.gz SRVUXUBWLFONTA-HNNXBMFYSA-N 1 1 345.491 0.958 50 0 ECAAMO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000052636066 214138043 /nfs/dbraw/zinc/13/80/43/214138043.db2.gz FUZSPFYZIKEAGH-CYBMUJFWSA-N 1 1 325.840 0.955 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CC1(CO)CCCC1 ZINC000055245237 214295418 /nfs/dbraw/zinc/29/54/18/214295418.db2.gz XYQIYNLSSXVBNQ-AWEZNQCLSA-N 1 1 325.453 0.596 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CC1(CO)CCCC1 ZINC000055245237 214295421 /nfs/dbraw/zinc/29/54/21/214295421.db2.gz XYQIYNLSSXVBNQ-AWEZNQCLSA-N 1 1 325.453 0.596 50 0 ECAAMO O=C(CN1CCOC1=O)NCC[C@H]1C[N@H+](C2CCCC2)CCO1 ZINC000067587817 215164229 /nfs/dbraw/zinc/16/42/29/215164229.db2.gz SEFMZRKAHLXRBH-AWEZNQCLSA-N 1 1 325.409 0.588 50 0 ECAAMO C[N@H+]1CC[C@@](C)(CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067696912 215189664 /nfs/dbraw/zinc/18/96/64/215189664.db2.gz UAFFOTIBCLYDAI-KRWDZBQOSA-N 1 1 336.436 0.703 50 0 ECAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000067740572 215199358 /nfs/dbraw/zinc/19/93/58/215199358.db2.gz NZCWDRJSPMNMBE-ZDUSSCGKSA-N 1 1 333.436 0.835 50 0 ECAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000067740572 215199359 /nfs/dbraw/zinc/19/93/59/215199359.db2.gz NZCWDRJSPMNMBE-ZDUSSCGKSA-N 1 1 333.436 0.835 50 0 ECAAMO C[NH+](C)[C@H]1CN(C(=O)c2cc(COc3cccc(F)c3)n[nH]2)C[C@@H]1O ZINC000067867788 215234522 /nfs/dbraw/zinc/23/45/22/215234522.db2.gz OPJSDVLBHHYMEQ-HOTGVXAUSA-N 1 1 348.378 0.875 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)COCc1nc2cccc(C)c2[nH]1 ZINC000067964807 215260351 /nfs/dbraw/zinc/26/03/51/215260351.db2.gz VYGCRLCXZREVRO-YPMHNXCESA-N 1 1 345.403 0.062 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000040481238 213316021 /nfs/dbraw/zinc/31/60/21/213316021.db2.gz GXVNFBJFRVBUST-UHFFFAOYSA-N 1 1 330.182 0.722 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000037500565 213150334 /nfs/dbraw/zinc/15/03/34/213150334.db2.gz SKVKHPPVHNMLGT-UHFFFAOYSA-N 1 1 343.225 0.717 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 ZINC000069978018 215654355 /nfs/dbraw/zinc/65/43/55/215654355.db2.gz JKMHHHJLZROGPQ-AWEZNQCLSA-N 1 1 347.415 0.900 50 0 ECAAMO COCCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000036189875 213076265 /nfs/dbraw/zinc/07/62/65/213076265.db2.gz LDINGXKYYXHTJL-CYBMUJFWSA-N 1 1 326.466 0.982 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583030 283360048 /nfs/dbraw/zinc/36/00/48/283360048.db2.gz CNZZINMNRFMICJ-HZSPNIEDSA-N 1 1 340.468 0.652 50 0 ECAAMO Cc1ccc(OCCNC(=O)NC2CC[NH+](CC(N)=O)CC2)c(C)c1 ZINC000032802710 212845441 /nfs/dbraw/zinc/84/54/41/212845441.db2.gz KKIZDJKLCIPBAL-UHFFFAOYSA-N 1 1 348.447 0.931 50 0 ECAAMO O=C(CCn1cc(Cl)cn1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072120926 216014341 /nfs/dbraw/zinc/01/43/41/216014341.db2.gz JCRSBLHALNGLML-GFCCVEGCSA-N 1 1 325.800 0.006 50 0 ECAAMO C[N@H+]1CCCn2nc(CN3CCN(CCn4ccnc4)CC3)cc2C1 ZINC000072142190 216027450 /nfs/dbraw/zinc/02/74/50/216027450.db2.gz LYRRGSWRPPTUDX-UHFFFAOYSA-N 1 1 343.479 0.733 50 0 ECAAMO Cc1occc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072133124 216022613 /nfs/dbraw/zinc/02/26/13/216022613.db2.gz VGBBYRXZPMVDID-OAHLLOKOSA-N 1 1 328.372 0.713 50 0 ECAAMO CCc1[nH+]ccn1CCC(=O)N1CCNC[C@H]1C(=O)N1CCCC1 ZINC000072149087 216037258 /nfs/dbraw/zinc/03/72/58/216037258.db2.gz PJKMVOAIVFKGES-AWEZNQCLSA-N 1 1 333.436 0.258 50 0 ECAAMO CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000072172757 216063661 /nfs/dbraw/zinc/06/36/61/216063661.db2.gz MMJQLUVBVHELMY-MRXNPFEDSA-N 1 1 347.459 0.697 50 0 ECAAMO CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000072172757 216063664 /nfs/dbraw/zinc/06/36/64/216063664.db2.gz MMJQLUVBVHELMY-MRXNPFEDSA-N 1 1 347.459 0.697 50 0 ECAAMO O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1-c1nc[nH]n1 ZINC000072168406 216058900 /nfs/dbraw/zinc/05/89/00/216058900.db2.gz IBWHILAVHWJOBO-AWEZNQCLSA-N 1 1 340.387 0.164 50 0 ECAAMO Cc1csc2nc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)cc(=O)n12 ZINC000072302382 216140588 /nfs/dbraw/zinc/14/05/88/216140588.db2.gz LRIKOKZUPATRMP-UHFFFAOYSA-N 1 1 343.412 0.716 50 0 ECAAMO Cc1csc2nc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)cc(=O)n12 ZINC000072302382 216140590 /nfs/dbraw/zinc/14/05/90/216140590.db2.gz LRIKOKZUPATRMP-UHFFFAOYSA-N 1 1 343.412 0.716 50 0 ECAAMO C[N@@H+](Cc1ccccc1)[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O ZINC000072408702 216199317 /nfs/dbraw/zinc/19/93/17/216199317.db2.gz XUMCBIMPROSNMN-HOTGVXAUSA-N 1 1 329.404 0.372 50 0 ECAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000072428920 216220260 /nfs/dbraw/zinc/22/02/60/216220260.db2.gz DQAPNYVQFNHOBQ-UHFFFAOYSA-N 1 1 334.420 0.404 50 0 ECAAMO COCc1cc(CNC(=O)CCc2cc3n(n2)CCC[NH2+]C3)n[nH]1 ZINC000072430691 216224317 /nfs/dbraw/zinc/22/43/17/216224317.db2.gz CYOBOERTIJMQIW-UHFFFAOYSA-N 1 1 332.408 0.495 50 0 ECAAMO COCCC[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072436715 216231998 /nfs/dbraw/zinc/23/19/98/216231998.db2.gz UJANCODPRDUIKE-HNNXBMFYSA-N 1 1 337.468 0.863 50 0 ECAAMO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000022664387 212316647 /nfs/dbraw/zinc/31/66/47/212316647.db2.gz FGHHYWFGEXWFPN-AWEZNQCLSA-N 1 1 332.404 0.111 50 0 ECAAMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000218798199 241346204 /nfs/dbraw/zinc/34/62/04/241346204.db2.gz QRIICUHIECNFEC-CYBMUJFWSA-N 1 1 340.449 0.054 50 0 ECAAMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000218798199 241346209 /nfs/dbraw/zinc/34/62/09/241346209.db2.gz QRIICUHIECNFEC-CYBMUJFWSA-N 1 1 340.449 0.054 50 0 ECAAMO Cn1ncc2c1ncn(CCC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)c2=O ZINC000229383807 242161295 /nfs/dbraw/zinc/16/12/95/242161295.db2.gz JXGFKNPNZRAYRS-KGLIPLIRSA-N 1 1 344.419 0.263 50 0 ECAAMO CCSc1nnc(NC(=O)C[N@@H+](C)C[C@@H]2CC(=O)N(C)C2)s1 ZINC000244633307 243047939 /nfs/dbraw/zinc/04/79/39/243047939.db2.gz GASYJUOLJYVVSB-VIFPVBQESA-N 1 1 343.478 0.999 50 0 ECAAMO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000245225433 243101266 /nfs/dbraw/zinc/10/12/66/243101266.db2.gz VCLSSLMAUCMUKP-DOTOQJQBSA-N 1 1 333.432 0.827 50 0 ECAAMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000245225433 243101272 /nfs/dbraw/zinc/10/12/72/243101272.db2.gz VCLSSLMAUCMUKP-DOTOQJQBSA-N 1 1 333.432 0.827 50 0 ECAAMO CCN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000020046210 212097964 /nfs/dbraw/zinc/09/79/64/212097964.db2.gz YALNGUDQRRTBEN-UHFFFAOYSA-N 1 1 343.424 0.610 50 0 ECAAMO CCc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000019938237 212087052 /nfs/dbraw/zinc/08/70/52/212087052.db2.gz YBFATFBVQUUXIG-HNNXBMFYSA-N 1 1 343.431 0.679 50 0 ECAAMO COC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019771113 212063538 /nfs/dbraw/zinc/06/35/38/212063538.db2.gz WXGFVSDCSAZTLR-CQSZACIVSA-N 1 1 331.372 0.353 50 0 ECAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)CC1 ZINC000019527846 212039920 /nfs/dbraw/zinc/03/99/20/212039920.db2.gz JGDNHIAFKZNUIY-UHFFFAOYSA-N 1 1 339.461 0.925 50 0 ECAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)CC1 ZINC000019528121 212039730 /nfs/dbraw/zinc/03/97/30/212039730.db2.gz YMKRYZJOTAMXHO-OAHLLOKOSA-N 1 1 345.399 0.743 50 0 ECAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ncccc2F)C1 ZINC000091445228 218007199 /nfs/dbraw/zinc/00/71/99/218007199.db2.gz BPFWLRPPIKBJEG-KGLIPLIRSA-N 1 1 339.411 0.870 50 0 ECAAMO COCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000011813851 211250569 /nfs/dbraw/zinc/25/05/69/211250569.db2.gz RBFZIKVKHPLELW-OAHLLOKOSA-N 1 1 325.453 0.910 50 0 ECAAMO CCN1C[C@@H](C(=O)N2CC[NH+](CCn3cccc3)CC2)CCC1=O ZINC000091706706 218051925 /nfs/dbraw/zinc/05/19/25/218051925.db2.gz DPCBGWPKILGYNC-INIZCTEOSA-N 1 1 332.448 0.891 50 0 ECAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C ZINC000091664148 218043326 /nfs/dbraw/zinc/04/33/26/218043326.db2.gz YWFGBXMSFFYWDH-UHFFFAOYSA-N 1 1 338.437 0.507 50 0 ECAAMO C[N@H+]1CCN(C(=O)Cc2ccc(CO)cc2)C[C@@]12CCNC(=O)CC2 ZINC000091747027 218059810 /nfs/dbraw/zinc/05/98/10/218059810.db2.gz AZKSYDPAPYIGSE-LJQANCHMSA-N 1 1 345.443 0.534 50 0 ECAAMO CCn1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000091893424 218084316 /nfs/dbraw/zinc/08/43/16/218084316.db2.gz IZIAYGYBSAZEPS-CABCVRRESA-N 1 1 336.436 0.306 50 0 ECAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOC1=O)C2 ZINC000092019923 218104220 /nfs/dbraw/zinc/10/42/20/218104220.db2.gz ALONRAPXURMKCI-UONOGXRCSA-N 1 1 347.419 0.593 50 0 ECAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOC1=O)C2 ZINC000092019923 218104223 /nfs/dbraw/zinc/10/42/23/218104223.db2.gz ALONRAPXURMKCI-UONOGXRCSA-N 1 1 347.419 0.593 50 0 ECAAMO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1nnc(C3CC3)o1)CC2 ZINC000092066507 218115186 /nfs/dbraw/zinc/11/51/86/218115186.db2.gz YOTRGNWOZZZBMK-UHFFFAOYSA-N 1 1 347.419 0.637 50 0 ECAAMO NC(=O)[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc32)CC[NH2+]1 ZINC000095348733 218282566 /nfs/dbraw/zinc/28/25/66/218282566.db2.gz YDPDANJFETYARV-OAHLLOKOSA-N 1 1 334.383 0.955 50 0 ECAAMO Cc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c(C)c1=O ZINC000095370302 218303413 /nfs/dbraw/zinc/30/34/13/218303413.db2.gz VJNLVLLAUOPMEW-ZIAGYGMSSA-N 1 1 339.461 0.848 50 0 ECAAMO Cc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c(C)c1=O ZINC000095370302 218303416 /nfs/dbraw/zinc/30/34/16/218303416.db2.gz VJNLVLLAUOPMEW-ZIAGYGMSSA-N 1 1 339.461 0.848 50 0 ECAAMO COC(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)on1 ZINC000095465261 218404596 /nfs/dbraw/zinc/40/45/96/218404596.db2.gz VDRVSDOWKKLQRQ-UHFFFAOYSA-N 1 1 339.392 0.892 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000299771838 258084256 /nfs/dbraw/zinc/08/42/56/258084256.db2.gz YZOFRAHPXMYBDC-CYBMUJFWSA-N 1 1 333.388 0.284 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000299771838 258084257 /nfs/dbraw/zinc/08/42/57/258084257.db2.gz YZOFRAHPXMYBDC-CYBMUJFWSA-N 1 1 333.388 0.284 50 0 ECAAMO C[N@H+]1CCCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000299779662 258088894 /nfs/dbraw/zinc/08/88/94/258088894.db2.gz RGUJBQXZTDWKOV-UHFFFAOYSA-N 1 1 331.416 0.937 50 0 ECAAMO Cc1cc(=O)cc(C(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)n1C ZINC000299787960 258094605 /nfs/dbraw/zinc/09/46/05/258094605.db2.gz UFYKNHRAOARCSD-HNNXBMFYSA-N 1 1 333.432 0.755 50 0 ECAAMO O=C(Cc1cnc[nH]c1=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299797479 258101809 /nfs/dbraw/zinc/10/18/09/258101809.db2.gz NZMRTIHXZBKNNC-UHFFFAOYSA-N 1 1 327.388 0.854 50 0 ECAAMO O=C(Cc1cnc[nH]c1=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299797479 258101811 /nfs/dbraw/zinc/10/18/11/258101811.db2.gz NZMRTIHXZBKNNC-UHFFFAOYSA-N 1 1 327.388 0.854 50 0 ECAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@@H]2C1 ZINC000285942089 264353184 /nfs/dbraw/zinc/35/31/84/264353184.db2.gz VRTRGCXAQIVGPD-CVEARBPZSA-N 1 1 344.415 0.761 50 0 ECAAMO CCC[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1NS(C)(=O)=O ZINC000091586854 276049474 /nfs/dbraw/zinc/04/94/74/276049474.db2.gz WWVAODBYVWBEDF-KBPBESRZSA-N 1 1 331.482 0.649 50 0 ECAAMO CCC[C@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1NS(C)(=O)=O ZINC000091586854 276049476 /nfs/dbraw/zinc/04/94/76/276049476.db2.gz WWVAODBYVWBEDF-KBPBESRZSA-N 1 1 331.482 0.649 50 0 ECAAMO CCOCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000069609777 276324032 /nfs/dbraw/zinc/32/40/32/276324032.db2.gz QBQOMPHRXQYDBL-UHFFFAOYSA-N 1 1 327.450 0.753 50 0 ECAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000097891402 277110368 /nfs/dbraw/zinc/11/03/68/277110368.db2.gz MWHATHQWZPRAPB-CYBMUJFWSA-N 1 1 331.372 0.337 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000222661923 278152292 /nfs/dbraw/zinc/15/22/92/278152292.db2.gz NEDCQYLORDOMTJ-YXCITZCRSA-N 1 1 328.438 0.460 50 0 ECAAMO O=C(Nc1ccn2ccnc2c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333384140 297130153 /nfs/dbraw/zinc/13/01/53/297130153.db2.gz WNWFHAYCBYRUDK-AWEZNQCLSA-N 1 1 342.403 0.762 50 0 ECAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000069770266 435964777 /nfs/dbraw/zinc/96/47/77/435964777.db2.gz FAYYZSXWRLRIFA-YPMHNXCESA-N 1 1 333.388 0.998 50 0 ECAAMO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000069817389 435967538 /nfs/dbraw/zinc/96/75/38/435967538.db2.gz MCOVWXRRTRCBQI-IRXDYDNUSA-N 1 1 332.404 0.557 50 0 ECAAMO O[C@H](COCc1ccccc1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000069817389 435967543 /nfs/dbraw/zinc/96/75/43/435967543.db2.gz MCOVWXRRTRCBQI-IRXDYDNUSA-N 1 1 332.404 0.557 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000069841032 435968394 /nfs/dbraw/zinc/96/83/94/435968394.db2.gz ATPGSUAUAHOGHS-HNNXBMFYSA-N 1 1 328.416 0.940 50 0 ECAAMO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCNC(N)=[NH2+])ccc12 ZINC000002522647 435968741 /nfs/dbraw/zinc/96/87/41/435968741.db2.gz ZSQPDAOJXSYJNP-LBPRGKRZSA-N 1 1 331.376 0.630 50 0 ECAAMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069870042 435970265 /nfs/dbraw/zinc/97/02/65/435970265.db2.gz HDPCYWDBLCRHMV-HZPDHXFCSA-N 1 1 335.452 0.070 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cn1 ZINC000069879484 435973299 /nfs/dbraw/zinc/97/32/99/435973299.db2.gz NMPOWUWQMGENBH-AWEZNQCLSA-N 1 1 331.424 0.790 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cn1 ZINC000069879484 435973305 /nfs/dbraw/zinc/97/33/05/435973305.db2.gz NMPOWUWQMGENBH-AWEZNQCLSA-N 1 1 331.424 0.790 50 0 ECAAMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069898554 435973425 /nfs/dbraw/zinc/97/34/25/435973425.db2.gz QZKMWKDLWQEYEL-NWDGAFQWSA-N 1 1 334.486 0.185 50 0 ECAAMO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000069898554 435973429 /nfs/dbraw/zinc/97/34/29/435973429.db2.gz QZKMWKDLWQEYEL-NWDGAFQWSA-N 1 1 334.486 0.185 50 0 ECAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000069925544 435977661 /nfs/dbraw/zinc/97/76/61/435977661.db2.gz SPLZPKWDLMTWOW-CYBMUJFWSA-N 1 1 340.449 0.645 50 0 ECAAMO COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000069950148 435978901 /nfs/dbraw/zinc/97/89/01/435978901.db2.gz HRQNEFFBTZMIPW-UHFFFAOYSA-N 1 1 336.388 0.911 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000069951975 435978995 /nfs/dbraw/zinc/97/89/95/435978995.db2.gz ZALAIKYCYYUBNC-GFCCVEGCSA-N 1 1 333.392 0.722 50 0 ECAAMO CC(C)N1C[C@@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1=O ZINC000069951060 435980218 /nfs/dbraw/zinc/98/02/18/435980218.db2.gz PLXZEBVDAOZIJV-INIZCTEOSA-N 1 1 347.463 0.711 50 0 ECAAMO CC(C)N1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1=O ZINC000069951060 435980224 /nfs/dbraw/zinc/98/02/24/435980224.db2.gz PLXZEBVDAOZIJV-INIZCTEOSA-N 1 1 347.463 0.711 50 0 ECAAMO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1 ZINC000069951805 435981003 /nfs/dbraw/zinc/98/10/03/435981003.db2.gz LPAXXFKHSKYGEP-CYBMUJFWSA-N 1 1 340.449 0.160 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000070040765 435986380 /nfs/dbraw/zinc/98/63/80/435986380.db2.gz VGFMUFRTCHYUKM-INIZCTEOSA-N 1 1 333.436 0.347 50 0 ECAAMO C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CC[NH+](CCO)CC1 ZINC000069652509 435953635 /nfs/dbraw/zinc/95/36/35/435953635.db2.gz NSXUXFURZUWNMU-JKSUJKDBSA-N 1 1 327.469 0.308 50 0 ECAAMO COc1ccc(CNC(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000069627848 435953890 /nfs/dbraw/zinc/95/38/90/435953890.db2.gz BJWDYUBYOQRPIH-CABCVRRESA-N 1 1 335.448 0.698 50 0 ECAAMO CC[N@@H+](CCO)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000071754678 436009509 /nfs/dbraw/zinc/00/95/09/436009509.db2.gz LVFKDFYEXXYVDF-UHFFFAOYSA-N 1 1 332.404 0.621 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1CC1CC1 ZINC000071767570 436009570 /nfs/dbraw/zinc/00/95/70/436009570.db2.gz NGLUWGFOJNPNMD-CQSZACIVSA-N 1 1 334.420 0.532 50 0 ECAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC(=O)NC3CCOCC3)C2)nn1 ZINC000071859829 436019049 /nfs/dbraw/zinc/01/90/49/436019049.db2.gz LEJZNOSFWQHPKJ-MRXNPFEDSA-N 1 1 347.463 0.981 50 0 ECAAMO CCc1c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cnn1-c1ccccn1 ZINC000071871236 436020715 /nfs/dbraw/zinc/02/07/15/436020715.db2.gz IZTOROFOUYJVRA-CQSZACIVSA-N 1 1 343.431 0.968 50 0 ECAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000071870585 436021110 /nfs/dbraw/zinc/02/11/10/436021110.db2.gz ZFWVDAPOHPKMSH-KGLIPLIRSA-N 1 1 340.449 0.779 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000071871132 436022455 /nfs/dbraw/zinc/02/24/55/436022455.db2.gz XZAFVBBYDNUFGW-RYUDHWBXSA-N 1 1 340.449 0.373 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)C[C@H](C)O1 ZINC000071877007 436022716 /nfs/dbraw/zinc/02/27/16/436022716.db2.gz HTYIPHUNEGEECT-TWMKSMIVSA-N 1 1 337.468 0.603 50 0 ECAAMO O=C(C[NH2+]CCn1cccn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000071879166 436025047 /nfs/dbraw/zinc/02/50/47/436025047.db2.gz AGAUTBVJZQOUIO-QGZVFWFLSA-N 1 1 327.432 0.863 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000071877404 436025426 /nfs/dbraw/zinc/02/54/26/436025426.db2.gz BIGYIDZQBDSNDL-IRXDYDNUSA-N 1 1 349.475 0.877 50 0 ECAAMO Nc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000072138743 436033831 /nfs/dbraw/zinc/03/38/31/436033831.db2.gz VISGCLDZRUWQNZ-TZMCWYRMSA-N 1 1 331.420 0.501 50 0 ECAAMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587575 436094681 /nfs/dbraw/zinc/09/46/81/436094681.db2.gz BFOJSHYBSQQOFS-GFCCVEGCSA-N 1 1 344.415 0.678 50 0 ECAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016587575 436094687 /nfs/dbraw/zinc/09/46/87/436094687.db2.gz BFOJSHYBSQQOFS-GFCCVEGCSA-N 1 1 344.415 0.678 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(OC)c(F)c2)CC1 ZINC000025231265 436148957 /nfs/dbraw/zinc/14/89/57/436148957.db2.gz GIPQCIYHRAPUQH-UHFFFAOYSA-N 1 1 337.395 0.703 50 0 ECAAMO Cc1cnc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000023098973 436123013 /nfs/dbraw/zinc/12/30/13/436123013.db2.gz JOPCVAFVISODJN-UHFFFAOYSA-N 1 1 341.419 0.517 50 0 ECAAMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000025942083 436156596 /nfs/dbraw/zinc/15/65/96/436156596.db2.gz VEAYJIUTMBSBTG-CYBMUJFWSA-N 1 1 342.399 0.100 50 0 ECAAMO O=C(CCc1cnn(-c2ccccc2)c1)N1CC[NH+](CCO)CC1 ZINC000075572138 436167519 /nfs/dbraw/zinc/16/75/19/436167519.db2.gz UZUGRRZXSBWWJW-UHFFFAOYSA-N 1 1 328.416 0.941 50 0 ECAAMO COCCOc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000075606441 436165693 /nfs/dbraw/zinc/16/56/93/436165693.db2.gz HCRLZKSMEJGOFI-HZPDHXFCSA-N 1 1 349.431 0.778 50 0 ECAAMO COCCn1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1=O ZINC000076054934 436190062 /nfs/dbraw/zinc/19/00/62/436190062.db2.gz BHXMBFHEJUKECI-HOCLYGCPSA-N 1 1 349.431 0.287 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COCc1ccco1)CC2 ZINC000076064264 436191560 /nfs/dbraw/zinc/19/15/60/436191560.db2.gz IMSDHVOVZABWDP-CQSZACIVSA-N 1 1 333.388 0.792 50 0 ECAAMO Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000042108125 436296605 /nfs/dbraw/zinc/29/66/05/436296605.db2.gz NXGKHAZOMPOTOO-RYUDHWBXSA-N 1 1 328.438 0.944 50 0 ECAAMO O=C(CCCN1C(=O)CCc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000078783421 436277519 /nfs/dbraw/zinc/27/75/19/436277519.db2.gz QCVLAXFAGCIVMQ-UHFFFAOYSA-N 1 1 345.443 0.883 50 0 ECAAMO O=C(CN1CCSC1=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000044911290 436352148 /nfs/dbraw/zinc/35/21/48/436352148.db2.gz NPEXGRBXULMROC-CYBMUJFWSA-N 1 1 327.450 0.869 50 0 ECAAMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000082115041 436360905 /nfs/dbraw/zinc/36/09/05/436360905.db2.gz QSNJQVWCIIRCOA-LBPRGKRZSA-N 1 1 345.490 0.720 50 0 ECAAMO CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000045406858 436366846 /nfs/dbraw/zinc/36/68/46/436366846.db2.gz MHRIKOLLEVOBII-UONOGXRCSA-N 1 1 344.481 0.336 50 0 ECAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046140808 436387566 /nfs/dbraw/zinc/38/75/66/436387566.db2.gz JBDRNNADTGFYEX-UHFFFAOYSA-N 1 1 345.490 0.834 50 0 ECAAMO CN1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCN(C)CC2)CC1=O ZINC000046935240 436404653 /nfs/dbraw/zinc/40/46/53/436404653.db2.gz BRVWMWOEXHYCDK-KRWDZBQOSA-N 1 1 344.459 0.529 50 0 ECAAMO CC[C@](C)(CNC(=O)c1cnc2ccccn2c1=O)[NH+]1CCOCC1 ZINC000044919086 436354564 /nfs/dbraw/zinc/35/45/64/436354564.db2.gz STWQLVULGLYKDK-GOSISDBHSA-N 1 1 344.415 0.925 50 0 ECAAMO Cc1ccc(CNC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cn1 ZINC000044967805 436357674 /nfs/dbraw/zinc/35/76/74/436357674.db2.gz NKPKYTKPNCBXMT-DLBZAZTESA-N 1 1 348.447 0.927 50 0 ECAAMO Cn1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000092076083 436467384 /nfs/dbraw/zinc/46/73/84/436467384.db2.gz GBWYKRHELBSHSP-OAHLLOKOSA-N 1 1 342.399 0.147 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC(OCc3ccccc3)C2)C1 ZINC000091320550 436449295 /nfs/dbraw/zinc/44/92/95/436449295.db2.gz RTEGEPIZYAAPEF-HNNXBMFYSA-N 1 1 331.416 0.611 50 0 ECAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000047228198 436413556 /nfs/dbraw/zinc/41/35/56/436413556.db2.gz GCNDSNCMBCLOSB-UHFFFAOYSA-N 1 1 326.316 0.064 50 0 ECAAMO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3cccc(C(N)=O)c3)C2)C1=O ZINC000089869851 436418560 /nfs/dbraw/zinc/41/85/60/436418560.db2.gz YUPJMRPHDHXZOP-QGZVFWFLSA-N 1 1 330.388 0.690 50 0 ECAAMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)C1=O ZINC000089869851 436418562 /nfs/dbraw/zinc/41/85/62/436418562.db2.gz YUPJMRPHDHXZOP-QGZVFWFLSA-N 1 1 330.388 0.690 50 0 ECAAMO Cc1cc(C)n(CC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000047636078 436426923 /nfs/dbraw/zinc/42/69/23/436426923.db2.gz MMEFEVPTVNUGIC-JKSUJKDBSA-N 1 1 336.436 0.353 50 0 ECAAMO O=C(C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)N1CCOCC1 ZINC000096136377 436515526 /nfs/dbraw/zinc/51/55/26/436515526.db2.gz SGYUFZCCVZQXTC-CRAIPNDOSA-N 1 1 332.400 0.316 50 0 ECAAMO O=C(C[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)N1CCOCC1 ZINC000096136377 436515530 /nfs/dbraw/zinc/51/55/30/436515530.db2.gz SGYUFZCCVZQXTC-CRAIPNDOSA-N 1 1 332.400 0.316 50 0 ECAAMO Cc1nn(C)c2nc(N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)sc12 ZINC000096179782 436520016 /nfs/dbraw/zinc/52/00/16/436520016.db2.gz YBTDJJXIIMEISG-RYUDHWBXSA-N 1 1 337.449 0.610 50 0 ECAAMO COCC(=O)N1CCCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000095365945 436492014 /nfs/dbraw/zinc/49/20/14/436492014.db2.gz BCEZMYRJEZPIOK-QGZVFWFLSA-N 1 1 345.443 0.750 50 0 ECAAMO COCC(=O)N1CCCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000095365945 436492019 /nfs/dbraw/zinc/49/20/19/436492019.db2.gz BCEZMYRJEZPIOK-QGZVFWFLSA-N 1 1 345.443 0.750 50 0 ECAAMO CCC[NH+]1CCC(CC(=O)N2CCNC(=O)[C@H]2Cc2cnc[nH]2)CC1 ZINC000095500081 436495458 /nfs/dbraw/zinc/49/54/58/436495458.db2.gz YKTIBOSPSGCZLC-MRXNPFEDSA-N 1 1 347.463 0.791 50 0 ECAAMO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099726 436511475 /nfs/dbraw/zinc/51/14/75/436511475.db2.gz QTJWMRBVIIOSDQ-AWEZNQCLSA-N 1 1 342.465 0.257 50 0 ECAAMO Cn1c2ccccc2n(CC(=O)NCCC[NH+]2CCN(C)CC2)c1=O ZINC000096997582 436535227 /nfs/dbraw/zinc/53/52/27/436535227.db2.gz OJVPZMICHSBFEP-UHFFFAOYSA-N 1 1 345.447 0.094 50 0 ECAAMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000097051818 436538023 /nfs/dbraw/zinc/53/80/23/436538023.db2.gz VYYBQQAWFWCLAQ-HNNXBMFYSA-N 1 1 349.460 0.996 50 0 ECAAMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000097051818 436538025 /nfs/dbraw/zinc/53/80/25/436538025.db2.gz VYYBQQAWFWCLAQ-HNNXBMFYSA-N 1 1 349.460 0.996 50 0 ECAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000058299340 436623558 /nfs/dbraw/zinc/62/35/58/436623558.db2.gz XEBYIXSLVKKXRJ-GJZGRUSLSA-N 1 1 342.399 0.433 50 0 ECAAMO CN(C)C(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000058377887 436624743 /nfs/dbraw/zinc/62/47/43/436624743.db2.gz AGYKNHJPUHRLBY-QGZVFWFLSA-N 1 1 332.448 0.522 50 0 ECAAMO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000106827097 436604441 /nfs/dbraw/zinc/60/44/41/436604441.db2.gz LUMZFCJWVOLNKP-ZIAGYGMSSA-N 1 1 348.422 0.670 50 0 ECAAMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)nn1 ZINC000107351081 436611783 /nfs/dbraw/zinc/61/17/83/436611783.db2.gz ATGJCPRQGGNWRX-CYBMUJFWSA-N 1 1 346.435 0.674 50 0 ECAAMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)nn1 ZINC000107351081 436611786 /nfs/dbraw/zinc/61/17/86/436611786.db2.gz ATGJCPRQGGNWRX-CYBMUJFWSA-N 1 1 346.435 0.674 50 0 ECAAMO CCCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000063812587 436646499 /nfs/dbraw/zinc/64/64/99/436646499.db2.gz BCAGRIASYFVWPK-UHFFFAOYSA-N 1 1 331.482 0.649 50 0 ECAAMO COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000063884830 436647155 /nfs/dbraw/zinc/64/71/55/436647155.db2.gz JUGDFEWUPLUTQL-ZDUSSCGKSA-N 1 1 334.420 0.521 50 0 ECAAMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1nccs1 ZINC000065407755 436659715 /nfs/dbraw/zinc/65/97/15/436659715.db2.gz NJDPBVGFKNVBBG-ZDUSSCGKSA-N 1 1 339.465 0.919 50 0 ECAAMO Cc1nc(CCNc2nc(N3CCC[C@@H](O)C3)cc[nH+]2)cc(=O)[nH]1 ZINC000065399055 436657468 /nfs/dbraw/zinc/65/74/68/436657468.db2.gz DCGNWNDXLRUUCI-CYBMUJFWSA-N 1 1 330.392 0.484 50 0 ECAAMO CNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C2=CCC[N@@H+](C)C2)c1 ZINC000065393799 436657786 /nfs/dbraw/zinc/65/77/86/436657786.db2.gz JBLILCBDBCFQCX-GFCCVEGCSA-N 1 1 337.445 0.975 50 0 ECAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000194029120 436658369 /nfs/dbraw/zinc/65/83/69/436658369.db2.gz AGQROYRWSHZXNN-AWEZNQCLSA-N 1 1 346.431 0.549 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000194029120 436658371 /nfs/dbraw/zinc/65/83/71/436658371.db2.gz AGQROYRWSHZXNN-AWEZNQCLSA-N 1 1 346.431 0.549 50 0 ECAAMO C[C@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000220061251 436697882 /nfs/dbraw/zinc/69/78/82/436697882.db2.gz NTDCVIVPZNZMMM-LLVKDONJSA-N 1 1 328.372 0.126 50 0 ECAAMO C[C@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000220061251 436697886 /nfs/dbraw/zinc/69/78/86/436697886.db2.gz NTDCVIVPZNZMMM-LLVKDONJSA-N 1 1 328.372 0.126 50 0 ECAAMO Cc1[nH+]ccn1CCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000220350905 436698990 /nfs/dbraw/zinc/69/89/90/436698990.db2.gz SGNHQPPZTLTMAV-UHFFFAOYSA-N 1 1 343.435 0.310 50 0 ECAAMO C[N@H+](CCC(=O)NCc1[nH]nc2c1CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000221312697 436700237 /nfs/dbraw/zinc/70/02/37/436700237.db2.gz NZOWTESLMUDCID-LLVKDONJSA-N 1 1 340.449 0.024 50 0 ECAAMO C[N@@H+](CCC(=O)NCc1[nH]nc2c1CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000221312697 436700240 /nfs/dbraw/zinc/70/02/40/436700240.db2.gz NZOWTESLMUDCID-LLVKDONJSA-N 1 1 340.449 0.024 50 0 ECAAMO CN(C[C@@H]1COCCO1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000221436281 436701720 /nfs/dbraw/zinc/70/17/20/436701720.db2.gz PMQSLRLKHDFJDF-GOSISDBHSA-N 1 1 347.459 0.921 50 0 ECAAMO C[N@H+](CC(=O)NCCc1nc(N)cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000223730278 436708153 /nfs/dbraw/zinc/70/81/53/436708153.db2.gz YKFQOLBKMZLFHP-UHFFFAOYSA-N 1 1 333.367 0.694 50 0 ECAAMO C[N@@H+](CC(=O)NCCc1nc(N)cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000223730278 436708155 /nfs/dbraw/zinc/70/81/55/436708155.db2.gz YKFQOLBKMZLFHP-UHFFFAOYSA-N 1 1 333.367 0.694 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000225392520 436710920 /nfs/dbraw/zinc/71/09/20/436710920.db2.gz VLMBDXXNKVAYBF-CABCVRRESA-N 1 1 341.477 0.352 50 0 ECAAMO CC(C)CNC(=O)c1cn(C2CCN(c3cc[nH+]c(N)n3)CC2)nn1 ZINC000067472742 436714494 /nfs/dbraw/zinc/71/44/94/436714494.db2.gz UBQVDIHLCGVRAJ-UHFFFAOYSA-N 1 1 344.423 0.878 50 0 ECAAMO COC(=O)c1ncn(CN2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000066349862 436682303 /nfs/dbraw/zinc/68/23/03/436682303.db2.gz HSNMIMUHIBJQFJ-UHFFFAOYSA-N 1 1 345.403 0.849 50 0 ECAAMO C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153232069 436752961 /nfs/dbraw/zinc/75/29/61/436752961.db2.gz WAQLMHXFIQTVLD-HOTGVXAUSA-N 1 1 331.464 0.803 50 0 ECAAMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000248680825 436809934 /nfs/dbraw/zinc/80/99/34/436809934.db2.gz OKLNHDXPNQUROG-PFHKOEEOSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000248680825 436809936 /nfs/dbraw/zinc/80/99/36/436809936.db2.gz OKLNHDXPNQUROG-PFHKOEEOSA-N 1 1 336.436 0.553 50 0 ECAAMO CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000253415549 436843950 /nfs/dbraw/zinc/84/39/50/436843950.db2.gz VJRMTTNUHKUKPA-OLZOCXBDSA-N 1 1 335.456 0.769 50 0 ECAAMO Cc1ccccc1C(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000257174090 436855419 /nfs/dbraw/zinc/85/54/19/436855419.db2.gz CFFKZLYYHTWURM-ZBFHGGJFSA-N 1 1 331.416 0.520 50 0 ECAAMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)cn1 ZINC000257185675 436856754 /nfs/dbraw/zinc/85/67/54/436856754.db2.gz JSSVDUZHSPQGHW-DZGCQCFKSA-N 1 1 335.404 0.292 50 0 ECAAMO CCn1cc(C[N@H+]2C[C@@H](CO)[C@H](c3nc(COC)no3)C2)c(C)n1 ZINC000257186645 436857987 /nfs/dbraw/zinc/85/79/87/436857987.db2.gz KQONIDKUGGPJNM-UONOGXRCSA-N 1 1 335.408 0.949 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCN1C[C@@H](O)c1ccccc1 ZINC000252474284 436831961 /nfs/dbraw/zinc/83/19/61/436831961.db2.gz ADZJEZOVBSLDJU-NZSAHSFTSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000252474284 436831965 /nfs/dbraw/zinc/83/19/65/436831965.db2.gz ADZJEZOVBSLDJU-NZSAHSFTSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000252474284 436831972 /nfs/dbraw/zinc/83/19/72/436831972.db2.gz ADZJEZOVBSLDJU-NZSAHSFTSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@H]1C ZINC000252475116 436832110 /nfs/dbraw/zinc/83/21/10/436832110.db2.gz SVHHZUVVMXDWBD-KGLIPLIRSA-N 1 1 325.478 0.794 50 0 ECAAMO COCCN1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC000252492424 436834360 /nfs/dbraw/zinc/83/43/60/436834360.db2.gz MLVOPZYAQNBSSS-ZDUSSCGKSA-N 1 1 326.441 0.565 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000257366302 436876717 /nfs/dbraw/zinc/87/67/17/436876717.db2.gz QZFIZHZKWMGRDE-BPQIPLTHSA-N 1 1 339.480 0.666 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000257366304 436877815 /nfs/dbraw/zinc/87/78/15/436877815.db2.gz QZFIZHZKWMGRDE-KBAYOESNSA-N 1 1 339.480 0.666 50 0 ECAAMO CC[N@@H+](C)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C1 ZINC000170606205 436946831 /nfs/dbraw/zinc/94/68/31/436946831.db2.gz GVBASVJMXMBQOH-DZGCQCFKSA-N 1 1 343.431 0.877 50 0 ECAAMO CCCC[N@H+]1CCn2nc(CNC(=O)Cn3ccccc3=O)cc2C1 ZINC000299764337 437111023 /nfs/dbraw/zinc/11/10/23/437111023.db2.gz RRVLQBNIBZXHSK-UHFFFAOYSA-N 1 1 343.431 0.977 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000424056303 437882789 /nfs/dbraw/zinc/88/27/89/437882789.db2.gz GYLAGFGQIWRROS-YHWZYXNKSA-N 1 1 338.433 0.345 50 0 ECAAMO Cc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC000426498414 438062740 /nfs/dbraw/zinc/06/27/40/438062740.db2.gz GHXRBHNIVUXWJS-IAGOWNOFSA-N 1 1 347.459 0.567 50 0 ECAAMO Cc1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC000426498414 438062748 /nfs/dbraw/zinc/06/27/48/438062748.db2.gz GHXRBHNIVUXWJS-IAGOWNOFSA-N 1 1 347.459 0.567 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCc2ccccc2)[C@H](O)C1 ZINC000426533829 438064896 /nfs/dbraw/zinc/06/48/96/438064896.db2.gz AHZULVKOXUHUOU-IAGOWNOFSA-N 1 1 347.459 0.649 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCCc2ccccc2)[C@H](O)C1 ZINC000426533829 438064899 /nfs/dbraw/zinc/06/48/99/438064899.db2.gz AHZULVKOXUHUOU-IAGOWNOFSA-N 1 1 347.459 0.649 50 0 ECAAMO OC1CN(c2nc(NCCCn3ccnc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426701507 438069877 /nfs/dbraw/zinc/06/98/77/438069877.db2.gz XOQBXFNXUUTLMU-ZDUSSCGKSA-N 1 1 344.419 0.860 50 0 ECAAMO OC1CN(c2nc(NCCCn3ccnc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426701506 438071693 /nfs/dbraw/zinc/07/16/93/438071693.db2.gz XOQBXFNXUUTLMU-CYBMUJFWSA-N 1 1 344.419 0.860 50 0 ECAAMO CCCCCC[C@](O)(C[N@@H+]1CCO[C@H](C(=O)NC)C1)C(=O)OC ZINC000408524437 438582218 /nfs/dbraw/zinc/58/22/18/438582218.db2.gz UNIDRNMTXXGWIT-BBRMVZONSA-N 1 1 330.425 0.308 50 0 ECAAMO CCCCCC[C@](O)(C[N@H+]1CCO[C@H](C(=O)NC)C1)C(=O)OC ZINC000408524437 438582220 /nfs/dbraw/zinc/58/22/20/438582220.db2.gz UNIDRNMTXXGWIT-BBRMVZONSA-N 1 1 330.425 0.308 50 0 ECAAMO CO[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000534634512 439531069 /nfs/dbraw/zinc/53/10/69/439531069.db2.gz JRDXZGAWVUEXKF-GJZGRUSLSA-N 1 1 325.434 0.208 50 0 ECAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000534634512 439531073 /nfs/dbraw/zinc/53/10/73/439531073.db2.gz JRDXZGAWVUEXKF-GJZGRUSLSA-N 1 1 325.434 0.208 50 0 ECAAMO CNC(=O)c1noc(CNC(=O)N(C)CC[N@H+]2CCCC[C@H]2C)n1 ZINC000584889439 439625093 /nfs/dbraw/zinc/62/50/93/439625093.db2.gz BLCLTNPHPDHKMD-LLVKDONJSA-N 1 1 338.412 0.445 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000178580077 527843896 /nfs/dbraw/zinc/84/38/96/527843896.db2.gz DIVBUGJSUFKWEY-LSDHHAIUSA-N 1 1 325.453 0.814 50 0 ECAAMO CN(C)C(=O)CC[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000670454157 548014815 /nfs/dbraw/zinc/01/48/15/548014815.db2.gz WGMSXKKMVMDZOZ-CQSZACIVSA-N 1 1 333.498 0.848 50 0 ECAAMO CNC(=O)[C@H]1CC(=O)N(C2C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000685941074 549728012 /nfs/dbraw/zinc/72/80/12/549728012.db2.gz QABGONIKIKXKLW-ZDUSSCGKSA-N 1 1 326.400 0.947 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000952971122 612139115 /nfs/dbraw/zinc/13/91/15/612139115.db2.gz DEZKZDDZLYFHGF-TZMCWYRMSA-N 1 1 339.823 0.687 50 0 ECAAMO CC(C)C[N@H+]1CCN(C(=O)CN2CCCCC2=O)C[C@@H]1CCO ZINC000952971383 612139223 /nfs/dbraw/zinc/13/92/23/612139223.db2.gz DNXGANNJXYANES-HNNXBMFYSA-N 1 1 325.453 0.550 50 0 ECAAMO COc1ccc(-n2cnnc2)cc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000952970277 612139284 /nfs/dbraw/zinc/13/92/84/612139284.db2.gz SJACKFLAQUIDQG-UHFFFAOYSA-N 1 1 344.419 0.852 50 0 ECAAMO OC[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1C[NH+]1CCOCC1 ZINC000091626377 612910550 /nfs/dbraw/zinc/91/05/50/612910550.db2.gz KFGZJVRLJBKBNU-VXGBXAGGSA-N 1 1 346.353 0.872 50 0 ECAAMO O=C(N[C@@H]1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1)c1ncccc1O ZINC000585079776 752394269 /nfs/dbraw/zinc/39/42/69/752394269.db2.gz HNXUXBSKTLDPPL-MCIONIFRSA-N 1 1 344.415 0.745 50 0 ECAAMO Cc1cc(CN2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)no1 ZINC000051903098 214107566 /nfs/dbraw/zinc/10/75/66/214107566.db2.gz BOSYAAREYJSMMB-UHFFFAOYSA-N 1 1 349.435 0.821 50 0 ECAAMO O=C(CCN1CC[NH+](CCO)CC1)NCc1ccccc1Cl ZINC000054424032 214237173 /nfs/dbraw/zinc/23/71/73/214237173.db2.gz LLRFUHHVPAZCMN-UHFFFAOYSA-N 1 1 325.840 0.956 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000055175496 214282711 /nfs/dbraw/zinc/28/27/11/214282711.db2.gz CONHSTHWOZSSRF-LLVKDONJSA-N 1 1 339.417 0.780 50 0 ECAAMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(O)CC1 ZINC000049967982 214039082 /nfs/dbraw/zinc/03/90/82/214039082.db2.gz MSVDSVPCRTVILT-INIZCTEOSA-N 1 1 332.400 0.570 50 0 ECAAMO CC(C)[N@H+](CCC(=O)NC(N)=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058331453 214550212 /nfs/dbraw/zinc/55/02/12/214550212.db2.gz UHHIPUCTIYXPAA-UHFFFAOYSA-N 1 1 331.376 0.719 50 0 ECAAMO CC(C)[N@@H+](CCC(=O)NC(N)=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058331453 214550214 /nfs/dbraw/zinc/55/02/14/214550214.db2.gz UHHIPUCTIYXPAA-UHFFFAOYSA-N 1 1 331.376 0.719 50 0 ECAAMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000066498661 215048432 /nfs/dbraw/zinc/04/84/32/215048432.db2.gz IVNBISPLCUOOGQ-INIZCTEOSA-N 1 1 346.431 0.859 50 0 ECAAMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000066498661 215048436 /nfs/dbraw/zinc/04/84/36/215048436.db2.gz IVNBISPLCUOOGQ-INIZCTEOSA-N 1 1 346.431 0.859 50 0 ECAAMO NS(=O)(=O)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000066921543 215094939 /nfs/dbraw/zinc/09/49/39/215094939.db2.gz CBQHBLMDZPHFSS-CQSZACIVSA-N 1 1 325.434 0.446 50 0 ECAAMO C[N@@H+]1CCO[C@@H](CCNC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000067654118 215176038 /nfs/dbraw/zinc/17/60/38/215176038.db2.gz DEOYZGKCYBPYTN-ZDUSSCGKSA-N 1 1 333.388 0.397 50 0 ECAAMO C[N@H+]1CCO[C@@H](CCNC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000067654118 215176043 /nfs/dbraw/zinc/17/60/43/215176043.db2.gz DEOYZGKCYBPYTN-ZDUSSCGKSA-N 1 1 333.388 0.397 50 0 ECAAMO CC(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000040480345 213315530 /nfs/dbraw/zinc/31/55/30/213315530.db2.gz DZFGVOWSCMGPHO-UHFFFAOYSA-N 1 1 346.431 0.914 50 0 ECAAMO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069844597 215601955 /nfs/dbraw/zinc/60/19/55/215601955.db2.gz DOKUPECKXMMGOH-CABCVRRESA-N 1 1 328.453 0.876 50 0 ECAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046140988 283267262 /nfs/dbraw/zinc/26/72/62/283267262.db2.gz GYRCHFPHYDQGTF-UHFFFAOYSA-N 1 1 339.461 0.774 50 0 ECAAMO CCCCOCC(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1cccnc1 ZINC000072131769 216020021 /nfs/dbraw/zinc/02/00/21/216020021.db2.gz ZQFBMQMAXFIXCR-OAHLLOKOSA-N 1 1 334.420 0.315 50 0 ECAAMO CCOc1ncccc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072153775 216041864 /nfs/dbraw/zinc/04/18/64/216041864.db2.gz YXBYPGZBOALBHT-AWEZNQCLSA-N 1 1 332.404 0.517 50 0 ECAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000072269656 216092177 /nfs/dbraw/zinc/09/21/77/216092177.db2.gz NGJVAHMTIPQERS-UHFFFAOYSA-N 1 1 334.376 0.353 50 0 ECAAMO O=C(c1ccc[nH]c1=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000072279604 216107094 /nfs/dbraw/zinc/10/70/94/216107094.db2.gz KXLBJYKDEQFRJW-INIZCTEOSA-N 1 1 327.384 0.866 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCc1nc2ccccc2s1 ZINC000072288358 216121236 /nfs/dbraw/zinc/12/12/36/216121236.db2.gz GCVMENDZGPBJRZ-UHFFFAOYSA-N 1 1 348.472 0.565 50 0 ECAAMO C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000072300396 216138175 /nfs/dbraw/zinc/13/81/75/216138175.db2.gz KGHBVFFRQJYSAG-YOEHRIQHSA-N 1 1 343.427 0.822 50 0 ECAAMO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000072463697 216246726 /nfs/dbraw/zinc/24/67/26/216246726.db2.gz IRASGDKOVBWYRV-UHFFFAOYSA-N 1 1 334.401 0.885 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000022935502 212337528 /nfs/dbraw/zinc/33/75/28/212337528.db2.gz OOCZLWICGCQHKT-UHFFFAOYSA-N 1 1 343.431 0.860 50 0 ECAAMO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000193353792 240125821 /nfs/dbraw/zinc/12/58/21/240125821.db2.gz BOMBPOZLIICHLE-LLVKDONJSA-N 1 1 332.447 0.463 50 0 ECAAMO CCn1c2ccccc2n(CC(=O)N2CC[NH+](CC)CC2)c(=O)c1=O ZINC000021943994 212264850 /nfs/dbraw/zinc/26/48/50/212264850.db2.gz FTGNILYVNNNRSW-UHFFFAOYSA-N 1 1 344.415 0.347 50 0 ECAAMO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(N)=O ZINC000229697405 242192354 /nfs/dbraw/zinc/19/23/54/242192354.db2.gz HOIJGXVKVFBWTB-RYUDHWBXSA-N 1 1 326.422 0.029 50 0 ECAAMO CC[C@H]1C[N@@H+](CCn2cncn2)[C@@H](CC)CN1CCn1cncn1 ZINC000229746484 242195670 /nfs/dbraw/zinc/19/56/70/242195670.db2.gz RWJWGEUABIIMHE-HOTGVXAUSA-N 1 1 332.456 0.745 50 0 ECAAMO C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000241942397 243005329 /nfs/dbraw/zinc/00/53/29/243005329.db2.gz UMGFGNLIDCIIIF-ZDUSSCGKSA-N 1 1 344.481 0.314 50 0 ECAAMO O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCOCC1 ZINC000020355503 212121101 /nfs/dbraw/zinc/12/11/01/212121101.db2.gz BBASNBUMLFTQBS-HNNXBMFYSA-N 1 1 333.388 0.615 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000020051403 212098140 /nfs/dbraw/zinc/09/81/40/212098140.db2.gz ZVAXOJIUXWMRMH-OAHLLOKOSA-N 1 1 331.416 0.878 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(c2ccccc2O)=NO1 ZINC000020028797 212094462 /nfs/dbraw/zinc/09/44/62/212094462.db2.gz WNLQHUGEEQTITO-INIZCTEOSA-N 1 1 333.388 0.724 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)nc(C)n1 ZINC000091440761 218006133 /nfs/dbraw/zinc/00/61/33/218006133.db2.gz ZHEKUVIYLMJSFQ-HZPDHXFCSA-N 1 1 348.447 0.496 50 0 ECAAMO NC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091445067 218006756 /nfs/dbraw/zinc/00/67/56/218006756.db2.gz RQRWXCQUPAHSGA-XJKSGUPXSA-N 1 1 342.443 0.745 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2CO)CC1 ZINC000091518778 218016630 /nfs/dbraw/zinc/01/66/30/218016630.db2.gz ZZOWSANNDDTLBU-HZPDHXFCSA-N 1 1 337.489 0.605 50 0 ECAAMO NC(=O)C1CC[NH+](CC(=O)NC[C@H]2CCc3ccccc3O2)CC1 ZINC000091754594 218059473 /nfs/dbraw/zinc/05/94/73/218059473.db2.gz SQMQFEIWJHVZPV-OAHLLOKOSA-N 1 1 331.416 0.694 50 0 ECAAMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c(=O)n1C ZINC000092045679 218110368 /nfs/dbraw/zinc/11/03/68/218110368.db2.gz ZFLIJWGGEQHVPH-SFHVURJKSA-N 1 1 346.431 0.120 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccco1 ZINC000009317871 211066753 /nfs/dbraw/zinc/06/67/53/211066753.db2.gz YMOZFFYXEYOMPQ-ZDUSSCGKSA-N 1 1 344.371 0.736 50 0 ECAAMO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000095356915 218290179 /nfs/dbraw/zinc/29/01/79/218290179.db2.gz OEYPHIMOSOEYHP-UONOGXRCSA-N 1 1 347.463 0.987 50 0 ECAAMO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095356915 218290181 /nfs/dbraw/zinc/29/01/81/218290181.db2.gz OEYPHIMOSOEYHP-UONOGXRCSA-N 1 1 347.463 0.987 50 0 ECAAMO COCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000095374321 218307892 /nfs/dbraw/zinc/30/78/92/218307892.db2.gz KRZICHAWSMQTME-INIZCTEOSA-N 1 1 346.431 0.221 50 0 ECAAMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299800803 258104369 /nfs/dbraw/zinc/10/43/69/258104369.db2.gz VVJCHVPWJFODAC-ZIAGYGMSSA-N 1 1 333.392 0.688 50 0 ECAAMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299800803 258104370 /nfs/dbraw/zinc/10/43/70/258104370.db2.gz VVJCHVPWJFODAC-ZIAGYGMSSA-N 1 1 333.392 0.688 50 0 ECAAMO O=C(CC[NH+]1CCN(c2ncccn2)CC1)NC(=O)NC1CCCC1 ZINC000024254507 135732010 /nfs/dbraw/zinc/73/20/10/135732010.db2.gz RAIFUULEEQSBLY-UHFFFAOYSA-N 1 1 346.435 0.757 50 0 ECAAMO O=S(=O)(c1cccc2cnccc21)N1CCC[N@@H+](CCO)CC1 ZINC000171506689 227112766 /nfs/dbraw/zinc/11/27/66/227112766.db2.gz PDUHQLHICNOQND-UHFFFAOYSA-N 1 1 335.429 0.924 50 0 ECAAMO O=S(=O)(c1cccc2cnccc21)N1CCC[N@H+](CCO)CC1 ZINC000171506689 227112768 /nfs/dbraw/zinc/11/27/68/227112768.db2.gz PDUHQLHICNOQND-UHFFFAOYSA-N 1 1 335.429 0.924 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccco1 ZINC000042476238 276860551 /nfs/dbraw/zinc/86/05/51/276860551.db2.gz JRTXNERQGDAMBB-QWHCGFSZSA-N 1 1 343.449 0.813 50 0 ECAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000252585337 288146340 /nfs/dbraw/zinc/14/63/40/288146340.db2.gz HWEGKPQSVKSYDZ-ILXRZTDVSA-N 1 1 326.485 0.956 50 0 ECAAMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccnn1C1CCCC1 ZINC000069743602 435962422 /nfs/dbraw/zinc/96/24/22/435962422.db2.gz ARPPJUSUDPGZQC-UHFFFAOYSA-N 1 1 335.452 0.937 50 0 ECAAMO Cc1cc(C)c(CCNC(=O)CN2CC[NH+](CCO)CC2)c(C)c1 ZINC000069772075 435966069 /nfs/dbraw/zinc/96/60/69/435966069.db2.gz YIGWVNWEVCNQDU-UHFFFAOYSA-N 1 1 333.476 0.880 50 0 ECAAMO CCN(CC)c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000069876020 435975385 /nfs/dbraw/zinc/97/53/85/435975385.db2.gz KBYRPVHDHIQMLE-OAHLLOKOSA-N 1 1 347.463 0.997 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000069968083 435981176 /nfs/dbraw/zinc/98/11/76/435981176.db2.gz IPYYXXKTDCSNBX-IXDOHACOSA-N 1 1 325.453 0.155 50 0 ECAAMO Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2=O)cc1 ZINC000069600488 435951524 /nfs/dbraw/zinc/95/15/24/435951524.db2.gz LQDCQIBMIMXUGD-NVXWUHKLSA-N 1 1 344.459 0.710 50 0 ECAAMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069657111 435956640 /nfs/dbraw/zinc/95/66/40/435956640.db2.gz ZEDMDILBIDKNGH-SJLPKXTDSA-N 1 1 347.459 0.585 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccncc3)C2)CC1 ZINC000071750027 436010377 /nfs/dbraw/zinc/01/03/77/436010377.db2.gz NAUZDPCEIXVDDI-CVEARBPZSA-N 1 1 346.431 0.378 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccncc3)C2)CC1 ZINC000071750027 436010381 /nfs/dbraw/zinc/01/03/81/436010381.db2.gz NAUZDPCEIXVDDI-CVEARBPZSA-N 1 1 346.431 0.378 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)nc12 ZINC000071830566 436015425 /nfs/dbraw/zinc/01/54/25/436015425.db2.gz OBJCLUIIYMZSAM-HNNXBMFYSA-N 1 1 341.415 0.993 50 0 ECAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)nc12 ZINC000071830566 436015428 /nfs/dbraw/zinc/01/54/28/436015428.db2.gz OBJCLUIIYMZSAM-HNNXBMFYSA-N 1 1 341.415 0.993 50 0 ECAAMO COc1cc2c(cc1C[NH2+]CC(=O)N1CCN(C)CC1)O[C@@H](C)C2 ZINC000071837121 436016765 /nfs/dbraw/zinc/01/67/65/436016765.db2.gz RERTVXZSVBWIDK-ZDUSSCGKSA-N 1 1 333.432 0.882 50 0 ECAAMO C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)CN1CC[NH+](C)CC1 ZINC000071853881 436017245 /nfs/dbraw/zinc/01/72/45/436017245.db2.gz SIGGFMHIBPWUMA-CQSZACIVSA-N 1 1 343.435 0.276 50 0 ECAAMO O=C(CN1CSCC1=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000071863648 436017705 /nfs/dbraw/zinc/01/77/05/436017705.db2.gz AEEIXOIHMONCNU-HNNXBMFYSA-N 1 1 349.456 0.397 50 0 ECAAMO O=C(Cc1csc(N2CCNC2=O)n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839756 436019300 /nfs/dbraw/zinc/01/93/00/436019300.db2.gz NZLCXYAOVZEHLW-CYBMUJFWSA-N 1 1 349.460 0.912 50 0 ECAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875247 436021617 /nfs/dbraw/zinc/02/16/17/436021617.db2.gz XRRHKODIUDSXCZ-BZUAXINKSA-N 1 1 347.463 0.850 50 0 ECAAMO Cc1nc(CN2CCC[C@H]([N@@H+](C)CCCNS(C)(=O)=O)C2)no1 ZINC000071870533 436022035 /nfs/dbraw/zinc/02/20/35/436022035.db2.gz XUXYBZRWEVHSHY-ZDUSSCGKSA-N 1 1 345.469 0.214 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 ZINC000071881092 436024753 /nfs/dbraw/zinc/02/47/53/436024753.db2.gz FLERNHANGZEVSC-PMPSAXMXSA-N 1 1 328.453 0.876 50 0 ECAAMO C[C@@]1([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)NC(=O)NC1=O ZINC000072300704 436041624 /nfs/dbraw/zinc/04/16/24/436041624.db2.gz DHQNGBNXJQABCL-KDOFPFPSSA-N 1 1 344.415 0.613 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000072300760 436043813 /nfs/dbraw/zinc/04/38/13/436043813.db2.gz ATFXHVDDRKJJNX-SJCJKPOMSA-N 1 1 348.403 0.548 50 0 ECAAMO Cc1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](C)CC3)NC2=O)cc1 ZINC000013690234 436065010 /nfs/dbraw/zinc/06/50/10/436065010.db2.gz KJFZCYJSYDSAJU-AWEZNQCLSA-N 1 1 329.404 0.425 50 0 ECAAMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000014199405 436070843 /nfs/dbraw/zinc/07/08/43/436070843.db2.gz ARUVLAUUASCJAT-VIFPVBQESA-N 1 1 336.417 0.603 50 0 ECAAMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000014199405 436070848 /nfs/dbraw/zinc/07/08/48/436070848.db2.gz ARUVLAUUASCJAT-VIFPVBQESA-N 1 1 336.417 0.603 50 0 ECAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)c(C)c1 ZINC000014733305 436075469 /nfs/dbraw/zinc/07/54/69/436075469.db2.gz HUYBPXDRKIYPRX-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]3C2)c(C)c1 ZINC000014733305 436075475 /nfs/dbraw/zinc/07/54/75/436075475.db2.gz HUYBPXDRKIYPRX-IXDOHACOSA-N 1 1 343.427 0.292 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000015868793 436086931 /nfs/dbraw/zinc/08/69/31/436086931.db2.gz GFOXTEPGBDISLG-UHFFFAOYSA-N 1 1 345.490 0.374 50 0 ECAAMO CC[C@@H]1CN(CC(=O)NCCOc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000075129413 436152455 /nfs/dbraw/zinc/15/24/55/436152455.db2.gz SXYDTVGHINHVBA-IAGOWNOFSA-N 1 1 349.475 0.959 50 0 ECAAMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CC[NH+](C2CC2)CC1 ZINC000075124653 436153930 /nfs/dbraw/zinc/15/39/30/436153930.db2.gz QJCRLHILHHQRNS-UHFFFAOYSA-N 1 1 342.399 0.659 50 0 ECAAMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000022840471 436120972 /nfs/dbraw/zinc/12/09/72/436120972.db2.gz YXXXVFMRXOOMRN-AWEZNQCLSA-N 1 1 328.372 0.052 50 0 ECAAMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000022840471 436120975 /nfs/dbraw/zinc/12/09/75/436120975.db2.gz YXXXVFMRXOOMRN-AWEZNQCLSA-N 1 1 328.372 0.052 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)NCc1ccccn1 ZINC000077375580 436233657 /nfs/dbraw/zinc/23/36/57/436233657.db2.gz LVGREILTLRLDLG-QGZVFWFLSA-N 1 1 332.448 0.885 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)NCc1ccccn1 ZINC000077375580 436233662 /nfs/dbraw/zinc/23/36/62/436233662.db2.gz LVGREILTLRLDLG-QGZVFWFLSA-N 1 1 332.448 0.885 50 0 ECAAMO CCn1c(N)nc2cc(C(=O)N3CC[NH+](CCCO)CC3)cnc21 ZINC000077342579 436234338 /nfs/dbraw/zinc/23/43/38/436234338.db2.gz WPDMMOWELLIVOW-UHFFFAOYSA-N 1 1 332.408 0.174 50 0 ECAAMO COc1ccc(C[N@H+]2CCOC[C@@H](CO)C2)cc1Cn1cncn1 ZINC000077504831 436240798 /nfs/dbraw/zinc/24/07/98/436240798.db2.gz HWUAJFBISYONFO-OAHLLOKOSA-N 1 1 332.404 0.776 50 0 ECAAMO C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000076058286 436189404 /nfs/dbraw/zinc/18/94/04/436189404.db2.gz WUYXXOGRRJOIJU-JQWIXIFHSA-N 1 1 338.433 0.105 50 0 ECAAMO C[C@@](O)(CNC(=O)[C@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000076092363 436192093 /nfs/dbraw/zinc/19/20/93/436192093.db2.gz SCVBSPLZOBWYDC-MAUKXSAKSA-N 1 1 334.416 0.752 50 0 ECAAMO CC(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[NH+](C)CC1 ZINC000032816915 436245683 /nfs/dbraw/zinc/24/56/83/436245683.db2.gz DHNNQMUDCWLSEQ-INIZCTEOSA-N 1 1 330.432 0.962 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2n1 ZINC000078789123 436277480 /nfs/dbraw/zinc/27/74/80/436277480.db2.gz MKEASNCTBPQCHZ-LSDHHAIUSA-N 1 1 329.404 0.709 50 0 ECAAMO COCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000078875843 436279934 /nfs/dbraw/zinc/27/99/34/436279934.db2.gz IWJOOMDAEZWJRX-INIZCTEOSA-N 1 1 331.416 0.578 50 0 ECAAMO COCC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000078875843 436279940 /nfs/dbraw/zinc/27/99/40/436279940.db2.gz IWJOOMDAEZWJRX-INIZCTEOSA-N 1 1 331.416 0.578 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000078891124 436279965 /nfs/dbraw/zinc/27/99/65/436279965.db2.gz MBQDEDYICZTASK-JSGCOSHPSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C)C(=O)N3CCOCC3)C2)no1 ZINC000078891124 436279970 /nfs/dbraw/zinc/27/99/70/436279970.db2.gz MBQDEDYICZTASK-JSGCOSHPSA-N 1 1 337.424 0.131 50 0 ECAAMO CC[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000078900208 436282500 /nfs/dbraw/zinc/28/25/00/436282500.db2.gz OVHHOECLNIHIDC-STQMWFEESA-N 1 1 349.435 0.325 50 0 ECAAMO CC[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCO1 ZINC000078900208 436282502 /nfs/dbraw/zinc/28/25/02/436282502.db2.gz OVHHOECLNIHIDC-STQMWFEESA-N 1 1 349.435 0.325 50 0 ECAAMO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3C[N@H+](C)C[C@@H]3C)ccc21 ZINC000078898889 436283151 /nfs/dbraw/zinc/28/31/51/436283151.db2.gz LPGUKQDSTGJXOX-NHYWBVRUSA-N 1 1 337.445 0.824 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)o1 ZINC000078891984 436283552 /nfs/dbraw/zinc/28/35/52/436283552.db2.gz GFANKGHSHOPSTQ-CQSZACIVSA-N 1 1 336.436 0.602 50 0 ECAAMO CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)o1 ZINC000078891984 436283558 /nfs/dbraw/zinc/28/35/58/436283558.db2.gz GFANKGHSHOPSTQ-CQSZACIVSA-N 1 1 336.436 0.602 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccco1 ZINC000042476237 436305174 /nfs/dbraw/zinc/30/51/74/436305174.db2.gz JRTXNERQGDAMBB-STQMWFEESA-N 1 1 343.449 0.813 50 0 ECAAMO CC(C)[C@H](CNC(=O)Cn1nnc2ccccc21)N1CC[NH+](C)CC1 ZINC000042582067 436309354 /nfs/dbraw/zinc/30/93/54/436309354.db2.gz SULBZYVTGOOEFL-KRWDZBQOSA-N 1 1 344.463 0.820 50 0 ECAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000042722870 436313861 /nfs/dbraw/zinc/31/38/61/436313861.db2.gz LYNGSGCUXCSDHA-HNNXBMFYSA-N 1 1 344.415 0.627 50 0 ECAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)C3(C(N)=O)CC3)cc2C1 ZINC000082137442 436361804 /nfs/dbraw/zinc/36/18/04/436361804.db2.gz WAAHVCILFLCLMR-UHFFFAOYSA-N 1 1 333.436 0.627 50 0 ECAAMO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CNCCO3)cc2C1 ZINC000082146040 436362858 /nfs/dbraw/zinc/36/28/58/436362858.db2.gz WKDHIJYRGFMKMK-MRXNPFEDSA-N 1 1 335.452 0.349 50 0 ECAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@H]3CNCCO3)cc2C1 ZINC000082146040 436362863 /nfs/dbraw/zinc/36/28/63/436362863.db2.gz WKDHIJYRGFMKMK-MRXNPFEDSA-N 1 1 335.452 0.349 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000045407374 436366740 /nfs/dbraw/zinc/36/67/40/436366740.db2.gz TYTAVPXHSNAMDK-ZDUSSCGKSA-N 1 1 346.497 0.442 50 0 ECAAMO CC[C@H]1CN(C(=O)COCc2nc(C)no2)C[C@H]1[NH+]1CCOCC1 ZINC000084735866 436383645 /nfs/dbraw/zinc/38/36/45/436383645.db2.gz VFXFXBZDMKQJKA-UONOGXRCSA-N 1 1 338.408 0.464 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n(C)c1 ZINC000046998198 436408107 /nfs/dbraw/zinc/40/81/07/436408107.db2.gz PINPFNJLCVIFLF-CHWSQXEVSA-N 1 1 340.449 0.290 50 0 ECAAMO C[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000048044922 436439110 /nfs/dbraw/zinc/43/91/10/436439110.db2.gz QYCDQHRHKMKKJJ-ZDUSSCGKSA-N 1 1 345.465 0.511 50 0 ECAAMO C[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000048044922 436439113 /nfs/dbraw/zinc/43/91/13/436439113.db2.gz QYCDQHRHKMKKJJ-ZDUSSCGKSA-N 1 1 345.465 0.511 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048093157 436441159 /nfs/dbraw/zinc/44/11/59/436441159.db2.gz GGEHXMHTYHJTDE-UONOGXRCSA-N 1 1 347.481 0.077 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000048286353 436447471 /nfs/dbraw/zinc/44/74/71/436447471.db2.gz FJGVCKYKCSLVCZ-CQSZACIVSA-N 1 1 331.416 0.564 50 0 ECAAMO COc1ncccc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091289247 436448530 /nfs/dbraw/zinc/44/85/30/436448530.db2.gz GCOMCEXXMKTCRS-HUUCEWRRSA-N 1 1 348.447 0.018 50 0 ECAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)NC1CCCCC1 ZINC000091548788 436452101 /nfs/dbraw/zinc/45/21/01/436452101.db2.gz RTWBCKZIBUFWIN-SFHVURJKSA-N 1 1 337.464 0.742 50 0 ECAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC[NH+]=C(c1ccccc1)S3 ZINC000048546581 436453740 /nfs/dbraw/zinc/45/37/40/436453740.db2.gz BQLXVBDKAHZEGF-UHFFFAOYSA-N 1 1 341.396 0.986 50 0 ECAAMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089499570 436412398 /nfs/dbraw/zinc/41/23/98/436412398.db2.gz PMKOZRAFMIOBOH-LBPRGKRZSA-N 1 1 341.415 0.845 50 0 ECAAMO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089499570 436412400 /nfs/dbraw/zinc/41/24/00/436412400.db2.gz PMKOZRAFMIOBOH-LBPRGKRZSA-N 1 1 341.415 0.845 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000089938675 436421512 /nfs/dbraw/zinc/42/15/12/436421512.db2.gz WVEKKTSSZJPKJE-LBPRGKRZSA-N 1 1 330.388 0.515 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000089938675 436421515 /nfs/dbraw/zinc/42/15/15/436421515.db2.gz WVEKKTSSZJPKJE-LBPRGKRZSA-N 1 1 330.388 0.515 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cnc(-c2cccnc2)[nH]c1=O ZINC000096166505 436519182 /nfs/dbraw/zinc/51/91/82/436519182.db2.gz ABUCMWPGRBBALB-KBPBESRZSA-N 1 1 343.387 0.693 50 0 ECAAMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)n1C ZINC000095402236 436493488 /nfs/dbraw/zinc/49/34/88/436493488.db2.gz HKZQBNXPQFADNA-MRXNPFEDSA-N 1 1 342.447 0.929 50 0 ECAAMO c1nc(SCC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)n[nH]1 ZINC000095515409 436497709 /nfs/dbraw/zinc/49/77/09/436497709.db2.gz XTMBNNNXEALWQU-UHFFFAOYSA-N 1 1 345.436 0.822 50 0 ECAAMO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)NCCc1ccc(F)cc1 ZINC000052215406 436504817 /nfs/dbraw/zinc/50/48/17/436504817.db2.gz VVOBUUYPUBSXAI-UHFFFAOYSA-N 1 1 348.422 0.974 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000058307202 436624314 /nfs/dbraw/zinc/62/43/14/436624314.db2.gz CFRAKEOUMSZBLF-OAHLLOKOSA-N 1 1 339.461 0.693 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C2)no1 ZINC000107584015 436613762 /nfs/dbraw/zinc/61/37/62/436613762.db2.gz MZLQVHPWDDMXBG-ZIAGYGMSSA-N 1 1 337.424 0.037 50 0 ECAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C2)no1 ZINC000107584015 436613766 /nfs/dbraw/zinc/61/37/66/436613766.db2.gz MZLQVHPWDDMXBG-ZIAGYGMSSA-N 1 1 337.424 0.037 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000060568081 436633876 /nfs/dbraw/zinc/63/38/76/436633876.db2.gz KMCLTSUOBJRTCF-GJZGRUSLSA-N 1 1 327.388 0.535 50 0 ECAAMO CCCC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000058917664 436629856 /nfs/dbraw/zinc/62/98/56/436629856.db2.gz FRWUBYITZZXSGO-UHFFFAOYSA-N 1 1 340.468 0.305 50 0 ECAAMO CCCC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000058917664 436629857 /nfs/dbraw/zinc/62/98/57/436629857.db2.gz FRWUBYITZZXSGO-UHFFFAOYSA-N 1 1 340.468 0.305 50 0 ECAAMO CC1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000061721889 436638583 /nfs/dbraw/zinc/63/85/83/436638583.db2.gz SHZMQLMDRKIMBA-OAHLLOKOSA-N 1 1 346.431 0.704 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH2+]C[C@@H]3c3nccn3C)c2n1 ZINC000261669968 302263328 /nfs/dbraw/zinc/26/33/28/302263328.db2.gz GHCOWOOLMBTWAU-CYBMUJFWSA-N 1 1 325.376 0.558 50 0 ECAAMO C[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(-n3cnnn3)cc1O)CC2 ZINC000065387030 436657749 /nfs/dbraw/zinc/65/77/49/436657749.db2.gz VMACLXUFMLTKGN-UHFFFAOYSA-N 1 1 342.403 0.926 50 0 ECAAMO NC(=O)c1noc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000220019623 436697070 /nfs/dbraw/zinc/69/70/70/436697070.db2.gz OGQLISFKIHRKKF-LBPRGKRZSA-N 1 1 329.360 0.449 50 0 ECAAMO NC(=O)c1noc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000220019623 436697074 /nfs/dbraw/zinc/69/70/74/436697074.db2.gz OGQLISFKIHRKKF-LBPRGKRZSA-N 1 1 329.360 0.449 50 0 ECAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1c[nH]nc1-n1cnnn1 ZINC000220016535 436697781 /nfs/dbraw/zinc/69/77/81/436697781.db2.gz DUCZTQZRSRXKIW-UHFFFAOYSA-N 1 1 349.358 0.810 50 0 ECAAMO OCCOCC[NH+]1CCN(Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000219876236 436697919 /nfs/dbraw/zinc/69/79/19/436697919.db2.gz ABLYGSXKSLGPIC-UHFFFAOYSA-N 1 1 349.479 0.593 50 0 ECAAMO COc1cc(C)ccc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000222231861 436702048 /nfs/dbraw/zinc/70/20/48/436702048.db2.gz WLGYIIUHHLETJG-MSQAHXEGSA-N 1 1 340.445 0.999 50 0 ECAAMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230106 436708384 /nfs/dbraw/zinc/70/83/84/436708384.db2.gz BPUJENPFEWMECC-LSDHHAIUSA-N 1 1 328.453 0.876 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000065456952 436663140 /nfs/dbraw/zinc/66/31/40/436663140.db2.gz XWLQGAYGHMDBQZ-KRWDZBQOSA-N 1 1 347.463 0.535 50 0 ECAAMO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3ccnc3)C2)o1 ZINC000065469816 436663828 /nfs/dbraw/zinc/66/38/28/436663828.db2.gz HGSRHXIJTGBQKE-GFCCVEGCSA-N 1 1 332.360 0.826 50 0 ECAAMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3ccnc3)C2)o1 ZINC000065469816 436663830 /nfs/dbraw/zinc/66/38/30/436663830.db2.gz HGSRHXIJTGBQKE-GFCCVEGCSA-N 1 1 332.360 0.826 50 0 ECAAMO Cc1nc(CN2CC[NH+](CCC(=O)Nc3nccs3)CC2)no1 ZINC000065462579 436663944 /nfs/dbraw/zinc/66/39/44/436663944.db2.gz TZWKUVGAZIQGOU-UHFFFAOYSA-N 1 1 336.421 0.981 50 0 ECAAMO CC[N@@H+]1CCc2ncnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2C1 ZINC000065487705 436664975 /nfs/dbraw/zinc/66/49/75/436664975.db2.gz YSKCCCCLZUUYOC-INIZCTEOSA-N 1 1 345.447 0.682 50 0 ECAAMO CC[N@H+]1CCc2ncnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2C1 ZINC000065487705 436664978 /nfs/dbraw/zinc/66/49/78/436664978.db2.gz YSKCCCCLZUUYOC-INIZCTEOSA-N 1 1 345.447 0.682 50 0 ECAAMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000065553334 436666508 /nfs/dbraw/zinc/66/65/08/436666508.db2.gz PJECGKLAOLVKQP-AEFFLSMTSA-N 1 1 349.475 0.910 50 0 ECAAMO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000065532738 436666537 /nfs/dbraw/zinc/66/65/37/436666537.db2.gz YNKFGTGAIQDPMK-KGLIPLIRSA-N 1 1 349.497 0.826 50 0 ECAAMO CC(C)CNC(=O)c1cn(C2CCN(c3cc(N)[nH+]cn3)CC2)nn1 ZINC000067714025 436720773 /nfs/dbraw/zinc/72/07/73/436720773.db2.gz QUIGBVQARMLEGU-UHFFFAOYSA-N 1 1 344.423 0.878 50 0 ECAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000067804211 436723990 /nfs/dbraw/zinc/72/39/90/436723990.db2.gz QZYLOPDSFBJWOH-AWEZNQCLSA-N 1 1 333.436 0.773 50 0 ECAAMO COCCN1CCC[C@@](O)(C[N@H+]2CCOc3ccccc3C2)C1=O ZINC000067920068 436729028 /nfs/dbraw/zinc/72/90/28/436729028.db2.gz HBZPSOFZCLHKBY-GOSISDBHSA-N 1 1 334.416 0.881 50 0 ECAAMO COc1ccc(CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)cc1F ZINC000237300337 436729283 /nfs/dbraw/zinc/72/92/83/436729283.db2.gz ARHYSIFFZZUIFR-HNNXBMFYSA-N 1 1 337.395 0.467 50 0 ECAAMO COc1ccccc1COC[C@@H](O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000241693831 436759283 /nfs/dbraw/zinc/75/92/83/436759283.db2.gz QIBURKMDEPYBQT-GJZGRUSLSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccccc1COC[C@@H](O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000241693831 436759284 /nfs/dbraw/zinc/75/92/84/436759284.db2.gz QIBURKMDEPYBQT-GJZGRUSLSA-N 1 1 343.445 0.692 50 0 ECAAMO Cc1cc2n(n1)CCN(C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000244900235 436760940 /nfs/dbraw/zinc/76/09/40/436760940.db2.gz ZYJPYOQAQHXWNT-ZDUSSCGKSA-N 1 1 340.449 0.043 50 0 ECAAMO Cc1cc2n(n1)CCN(C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000244900235 436760944 /nfs/dbraw/zinc/76/09/44/436760944.db2.gz ZYJPYOQAQHXWNT-ZDUSSCGKSA-N 1 1 340.449 0.043 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000229311028 436715413 /nfs/dbraw/zinc/71/54/13/436715413.db2.gz QIQVNGYKTDDWFI-RISCZKNCSA-N 1 1 325.434 0.712 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000069511795 436778293 /nfs/dbraw/zinc/77/82/93/436778293.db2.gz DIJRTZYUKXEPQF-HUUCEWRRSA-N 1 1 348.451 0.144 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)n1 ZINC000069511795 436778296 /nfs/dbraw/zinc/77/82/96/436778296.db2.gz DIJRTZYUKXEPQF-HUUCEWRRSA-N 1 1 348.451 0.144 50 0 ECAAMO Cc1ccc(N2CCC[N@@H+](C[C@@H](O)CN3CCCC3=O)CC2)nn1 ZINC000247501332 436794412 /nfs/dbraw/zinc/79/44/12/436794412.db2.gz NPYCXIUWXBZIAU-OAHLLOKOSA-N 1 1 333.436 0.280 50 0 ECAAMO CCCn1[nH]ccc1=NC(=O)CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000254906087 436849404 /nfs/dbraw/zinc/84/94/04/436849404.db2.gz PFAPUFVHKASONE-HNNXBMFYSA-N 1 1 349.479 0.839 50 0 ECAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccc(F)c2F)CC1 ZINC000257181230 436857573 /nfs/dbraw/zinc/85/75/73/436857573.db2.gz FHRVTXHRPLOKLW-HIFRSBDPSA-N 1 1 339.386 0.850 50 0 ECAAMO CCc1c(C)nn(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c1C ZINC000252485127 436834412 /nfs/dbraw/zinc/83/44/12/436834412.db2.gz GNWMEHAAVAQPJL-MRXNPFEDSA-N 1 1 349.479 0.777 50 0 ECAAMO CCc1c(C)nn(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000252485127 436834413 /nfs/dbraw/zinc/83/44/13/436834413.db2.gz GNWMEHAAVAQPJL-MRXNPFEDSA-N 1 1 349.479 0.777 50 0 ECAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CNC(=O)N3)c2)CCO1 ZINC000252511532 436835997 /nfs/dbraw/zinc/83/59/97/436835997.db2.gz HTBULHSEEFPZDG-SWLSCSKDSA-N 1 1 332.404 0.205 50 0 ECAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CNC(=O)N3)c2)CCO1 ZINC000252511532 436836000 /nfs/dbraw/zinc/83/60/00/436836000.db2.gz HTBULHSEEFPZDG-SWLSCSKDSA-N 1 1 332.404 0.205 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000252504194 436836383 /nfs/dbraw/zinc/83/63/83/436836383.db2.gz VICTUSDMMQUEOY-GFCCVEGCSA-N 1 1 330.392 0.565 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000252516429 436836881 /nfs/dbraw/zinc/83/68/81/436836881.db2.gz SLHRFGQHMUGZPD-OCVGTWLNSA-N 1 1 334.416 0.690 50 0 ECAAMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000252516429 436836887 /nfs/dbraw/zinc/83/68/87/436836887.db2.gz SLHRFGQHMUGZPD-OCVGTWLNSA-N 1 1 334.416 0.690 50 0 ECAAMO COC(=O)c1ncsc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000261646329 436880696 /nfs/dbraw/zinc/88/06/96/436880696.db2.gz HBNLQZNZKILNBI-LBPRGKRZSA-N 1 1 333.435 0.598 50 0 ECAAMO CCNC(=O)C[N@@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000264553230 437046301 /nfs/dbraw/zinc/04/63/01/437046301.db2.gz ZNRNZTCWANOACS-UHFFFAOYSA-N 1 1 342.241 0.887 50 0 ECAAMO CCNC(=O)C[N@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000264553230 437046304 /nfs/dbraw/zinc/04/63/04/437046304.db2.gz ZNRNZTCWANOACS-UHFFFAOYSA-N 1 1 342.241 0.887 50 0 ECAAMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC000277413001 437216969 /nfs/dbraw/zinc/21/69/69/437216969.db2.gz UDYFWHZZXRLZSL-LSDHHAIUSA-N 1 1 333.457 0.999 50 0 ECAAMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC000277413001 437216974 /nfs/dbraw/zinc/21/69/74/437216974.db2.gz UDYFWHZZXRLZSL-LSDHHAIUSA-N 1 1 333.457 0.999 50 0 ECAAMO COC(=O)c1ccccc1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000186531878 437475386 /nfs/dbraw/zinc/47/53/86/437475386.db2.gz WBMSDEOTRVNMLJ-UHFFFAOYSA-N 1 1 340.445 0.983 50 0 ECAAMO COC(=O)c1ccccc1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000186531878 437475389 /nfs/dbraw/zinc/47/53/89/437475389.db2.gz WBMSDEOTRVNMLJ-UHFFFAOYSA-N 1 1 340.445 0.983 50 0 ECAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000193357735 437708315 /nfs/dbraw/zinc/70/83/15/437708315.db2.gz GCDUIJDVORDNQQ-NSHDSACASA-N 1 1 332.447 0.214 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426431338 438059503 /nfs/dbraw/zinc/05/95/03/438059503.db2.gz PTVSQBNNHHUZCT-CQSZACIVSA-N 1 1 340.449 0.102 50 0 ECAAMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426431338 438059507 /nfs/dbraw/zinc/05/95/07/438059507.db2.gz PTVSQBNNHHUZCT-CQSZACIVSA-N 1 1 340.449 0.102 50 0 ECAAMO CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426498787 438063637 /nfs/dbraw/zinc/06/36/37/438063637.db2.gz XKGISUOVPLOXOV-HUUCEWRRSA-N 1 1 325.409 0.769 50 0 ECAAMO CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426498787 438063641 /nfs/dbraw/zinc/06/36/41/438063641.db2.gz XKGISUOVPLOXOV-HUUCEWRRSA-N 1 1 325.409 0.769 50 0 ECAAMO Cc1cc(C(N)=O)ccc1NC(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000426717018 438070119 /nfs/dbraw/zinc/07/01/19/438070119.db2.gz RPBFMSQXCKVLKS-CYBMUJFWSA-N 1 1 334.420 0.920 50 0 ECAAMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccc(OC)nn2)CC1 ZINC000408516739 438581567 /nfs/dbraw/zinc/58/15/67/438581567.db2.gz UVMGSQZLAKCZKA-UHFFFAOYSA-N 1 1 349.435 0.548 50 0 ECAAMO CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1C[N@H+]3CCN1CCC3)O2 ZINC000408513847 438581820 /nfs/dbraw/zinc/58/18/20/438581820.db2.gz UFKPPYIXWDSBMN-LPMVOBIJSA-N 1 1 337.464 0.814 50 0 ECAAMO CO[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000534670130 439531894 /nfs/dbraw/zinc/53/18/94/439531894.db2.gz VQWHOKAJKBWLPU-JQWIXIFHSA-N 1 1 341.389 0.037 50 0 ECAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000534670130 439531896 /nfs/dbraw/zinc/53/18/96/439531896.db2.gz VQWHOKAJKBWLPU-JQWIXIFHSA-N 1 1 341.389 0.037 50 0 ECAAMO CC(C)(CN1CCN(c2ccc3nccn3n2)CC1)[NH+]1CCOCC1 ZINC000215034362 535077110 /nfs/dbraw/zinc/07/71/10/535077110.db2.gz QHDZAAFJHHTEDY-UHFFFAOYSA-N 1 1 344.463 0.962 50 0 ECAAMO CN1CCN([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)CC1 ZINC000216275142 536418383 /nfs/dbraw/zinc/41/83/83/536418383.db2.gz KIFOFWXTBYEJHL-OALUTQOASA-N 1 1 341.459 0.665 50 0 ECAAMO COc1cc[nH]c(=NNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)n1 ZINC000095465148 545729828 /nfs/dbraw/zinc/72/98/28/545729828.db2.gz RJZQSDAGJXZABL-UHFFFAOYSA-N 1 1 345.407 0.667 50 0 ECAAMO COc1cc[nH]c(=NNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)n1 ZINC000095465148 545729835 /nfs/dbraw/zinc/72/98/35/545729835.db2.gz RJZQSDAGJXZABL-UHFFFAOYSA-N 1 1 345.407 0.667 50 0 ECAAMO O=C(NCC1(CN2CCOCC2)CCCCC1)[C@@H](F)C1C[NH2+]C1 ZINC000864091897 590055559 /nfs/dbraw/zinc/05/55/59/590055559.db2.gz IJEBWRGVJXLMNE-HNNXBMFYSA-N 1 1 327.444 0.943 50 0 ECAAMO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc21 ZINC000952973987 612139307 /nfs/dbraw/zinc/13/93/07/612139307.db2.gz SKVZMMOADIKTCN-GFCCVEGCSA-N 1 1 329.404 0.685 50 0 ECAAMO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)[nH]c21 ZINC000952973987 612139309 /nfs/dbraw/zinc/13/93/09/612139309.db2.gz SKVZMMOADIKTCN-GFCCVEGCSA-N 1 1 329.404 0.685 50 0 ECAAMO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)[nH]c21 ZINC000952973987 612139310 /nfs/dbraw/zinc/13/93/10/612139310.db2.gz SKVZMMOADIKTCN-GFCCVEGCSA-N 1 1 329.404 0.685 50 0 ECAAMO CN(C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCN(C(=O)C3CCC3)CC2)[NH2+]1 ZINC000675014689 741333835 /nfs/dbraw/zinc/33/38/35/741333835.db2.gz PKKOGEHURNQAGW-AWEZNQCLSA-N 1 1 345.447 0.630 50 0 ECAAMO O=C(Cn1cccnc1=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299792835 742119348 /nfs/dbraw/zinc/11/93/48/742119348.db2.gz GRJICWYGAQJYJC-HNNXBMFYSA-N 1 1 327.388 0.419 50 0 ECAAMO O=C(Cn1cccnc1=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299792835 742119352 /nfs/dbraw/zinc/11/93/52/742119352.db2.gz GRJICWYGAQJYJC-HNNXBMFYSA-N 1 1 327.388 0.419 50 0 ECAAMO CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055281984 214300470 /nfs/dbraw/zinc/30/04/70/214300470.db2.gz CXCSCCCSNNOACP-ZDUSSCGKSA-N 1 1 347.463 0.834 50 0 ECAAMO O=C(COc1ccc(C[NH2+]Cc2ncc[nH]2)cc1)N1CCOCC1 ZINC000055358016 214311954 /nfs/dbraw/zinc/31/19/54/214311954.db2.gz AFZWCZWNELCKNF-UHFFFAOYSA-N 1 1 330.388 0.937 50 0 ECAAMO CC(C)C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C(N)=O)CCOCC1 ZINC000056983466 214398889 /nfs/dbraw/zinc/39/88/89/214398889.db2.gz ZUZVKYCFQKTOBU-CQSZACIVSA-N 1 1 325.453 0.895 50 0 ECAAMO COCCn1nc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1=O ZINC000049622810 214022957 /nfs/dbraw/zinc/02/29/57/214022957.db2.gz SSKOSUQMJJQPTJ-CYBMUJFWSA-N 1 1 334.376 0.515 50 0 ECAAMO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1cccc(O)c1 ZINC000101265420 219120691 /nfs/dbraw/zinc/12/06/91/219120691.db2.gz BVTQDWVXVBOPAS-HNNXBMFYSA-N 1 1 341.371 0.918 50 0 ECAAMO O=C(Cn1cc(-c2ccccc2)oc1=O)NCCC[NH+]1CCOCC1 ZINC000065255499 214854632 /nfs/dbraw/zinc/85/46/32/214854632.db2.gz YLUNVXVJDFKMMJ-UHFFFAOYSA-N 1 1 345.399 0.947 50 0 ECAAMO CCN1CCN(Cc2cc(C(=O)NC[C@]3(C)CC[N@@H+](C)C3)no2)CC1 ZINC000067817251 215219700 /nfs/dbraw/zinc/21/97/00/215219700.db2.gz ALDVPPIVXTUELX-SFHVURJKSA-N 1 1 349.479 0.884 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)[C@H](O)c1ccc(F)cc1)CC2 ZINC000067867680 215234907 /nfs/dbraw/zinc/23/49/07/215234907.db2.gz HPUJQCLDEYHJPS-OAHLLOKOSA-N 1 1 349.406 0.672 50 0 ECAAMO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(CN2CCC(C)CC2)o1 ZINC000067871780 215236521 /nfs/dbraw/zinc/23/65/21/215236521.db2.gz ATZSZPTZKOVEAU-ZFWWWQNUSA-N 1 1 348.447 0.799 50 0 ECAAMO C[N@H+]1CC[C@@H](CNC(=O)c2nccnc2C(=O)N2CCCCC2)C1 ZINC000067907922 215247367 /nfs/dbraw/zinc/24/73/67/215247367.db2.gz BLVIQGHLQQPDGT-ZDUSSCGKSA-N 1 1 331.420 0.784 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000040511046 213327750 /nfs/dbraw/zinc/32/77/50/213327750.db2.gz GLCHHCBUOUUHFI-UHFFFAOYSA-N 1 1 341.415 0.813 50 0 ECAAMO CN(C)c1cccc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCCC2)c1 ZINC000072138805 216026415 /nfs/dbraw/zinc/02/64/15/216026415.db2.gz KNFYWCILDNAPPV-MRXNPFEDSA-N 1 1 330.432 0.789 50 0 ECAAMO Cc1ccncc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072153110 216042199 /nfs/dbraw/zinc/04/21/99/216042199.db2.gz TZMHBKKMIDEHDA-INIZCTEOSA-N 1 1 339.399 0.515 50 0 ECAAMO COCCn1cncc1C[NH+]1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072162738 216051979 /nfs/dbraw/zinc/05/19/79/216051979.db2.gz ZNNLYZMYSXOBGK-OAHLLOKOSA-N 1 1 336.436 0.900 50 0 ECAAMO CCc1nc(SCC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)n[nH]1 ZINC000072170451 216061725 /nfs/dbraw/zinc/06/17/25/216061725.db2.gz WIRDRPCBCNJDMI-OAHLLOKOSA-N 1 1 341.481 0.764 50 0 ECAAMO CCc1n[nH]c(SCC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072170451 216061729 /nfs/dbraw/zinc/06/17/29/216061729.db2.gz WIRDRPCBCNJDMI-OAHLLOKOSA-N 1 1 341.481 0.764 50 0 ECAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000072234618 216074144 /nfs/dbraw/zinc/07/41/44/216074144.db2.gz WETUUJQMSNSHIE-LBPRGKRZSA-N 1 1 331.376 0.159 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072426198 216216439 /nfs/dbraw/zinc/21/64/39/216216439.db2.gz QJOWFZRBGQANJJ-QGZVFWFLSA-N 1 1 335.423 0.927 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072431932 216225233 /nfs/dbraw/zinc/22/52/33/216225233.db2.gz IHRNOVOLXUADEK-CQSZACIVSA-N 1 1 337.468 0.598 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072432201 216225299 /nfs/dbraw/zinc/22/52/99/216225299.db2.gz WHZKVSPDZOVBEL-CQSZACIVSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072432201 216225301 /nfs/dbraw/zinc/22/53/01/216225301.db2.gz WHZKVSPDZOVBEL-CQSZACIVSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072432201 216225303 /nfs/dbraw/zinc/22/53/03/216225303.db2.gz WHZKVSPDZOVBEL-CQSZACIVSA-N 1 1 345.451 0.750 50 0 ECAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072432201 216225305 /nfs/dbraw/zinc/22/53/05/216225305.db2.gz WHZKVSPDZOVBEL-CQSZACIVSA-N 1 1 345.451 0.750 50 0 ECAAMO C[N@@H+](CCO)[C@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@@H]1O ZINC000072435761 216231514 /nfs/dbraw/zinc/23/15/14/216231514.db2.gz KZDMTZGMIYMOIH-HOTGVXAUSA-N 1 1 330.384 0.472 50 0 ECAAMO COCCC[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072436714 216232690 /nfs/dbraw/zinc/23/26/90/216232690.db2.gz UJANCODPRDUIKE-OAHLLOKOSA-N 1 1 337.468 0.863 50 0 ECAAMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000022593032 212308758 /nfs/dbraw/zinc/30/87/58/212308758.db2.gz VWFXURSKTSDKTC-RDJZCZTQSA-N 1 1 347.459 0.711 50 0 ECAAMO Cn1c(=O)cc(CN2CC[NH+](Cc3ccsc3)CC2)n(C)c1=O ZINC000022385172 212293988 /nfs/dbraw/zinc/29/39/88/212293988.db2.gz YCJGVKSMGLOIKO-UHFFFAOYSA-N 1 1 334.445 0.463 50 0 ECAAMO CN([C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000216153153 241172984 /nfs/dbraw/zinc/17/29/84/241172984.db2.gz OBGFYDFRZHFJNR-ZDUSSCGKSA-N 1 1 343.424 0.711 50 0 ECAAMO CN([C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000216153153 241172989 /nfs/dbraw/zinc/17/29/89/241172989.db2.gz OBGFYDFRZHFJNR-ZDUSSCGKSA-N 1 1 343.424 0.711 50 0 ECAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC[NH+]1CCOCC1 ZINC000020622466 212157291 /nfs/dbraw/zinc/15/72/91/212157291.db2.gz XLGKGGDUTGAMKG-UHFFFAOYSA-N 1 1 330.388 0.304 50 0 ECAAMO Cc1cc(=O)n(CCN2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)c(=O)[nH]1 ZINC000253536438 244014225 /nfs/dbraw/zinc/01/42/25/244014225.db2.gz FVHRKDPZZFNXET-HNNXBMFYSA-N 1 1 336.436 0.036 50 0 ECAAMO CCN1CC[NH+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019790668 212067675 /nfs/dbraw/zinc/06/76/75/212067675.db2.gz MUYVSKDKTTWJSF-JKSUJKDBSA-N 1 1 336.432 0.841 50 0 ECAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000019528119 212039241 /nfs/dbraw/zinc/03/92/41/212039241.db2.gz BQFICGORABAKIE-MRXNPFEDSA-N 1 1 347.415 0.973 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CNC(=O)N3)c2)CCO1 ZINC000089941160 217890616 /nfs/dbraw/zinc/89/06/16/217890616.db2.gz HTBULHSEEFPZDG-DOMZBBRYSA-N 1 1 332.404 0.205 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CNC(=O)N3)c2)CCO1 ZINC000089941160 217890618 /nfs/dbraw/zinc/89/06/18/217890618.db2.gz HTBULHSEEFPZDG-DOMZBBRYSA-N 1 1 332.404 0.205 50 0 ECAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)NCc1ccco1 ZINC000091434072 218005315 /nfs/dbraw/zinc/00/53/15/218005315.db2.gz PFMHQEATIZRLNK-KRWDZBQOSA-N 1 1 335.404 0.203 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1CO ZINC000091440959 218005721 /nfs/dbraw/zinc/00/57/21/218005721.db2.gz JSMMBZMJWCLFFC-HUUCEWRRSA-N 1 1 349.431 0.006 50 0 ECAAMO C[N@H+]1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2 ZINC000091624585 218033478 /nfs/dbraw/zinc/03/34/78/218033478.db2.gz RTNQPJZSZYGHDY-SFHVURJKSA-N 1 1 346.431 0.051 50 0 ECAAMO CN1CC[C@@]2(CN(C(=O)CCCc3cn[nH]c3)CC[N@H+]2C)CCC1=O ZINC000091663321 218042055 /nfs/dbraw/zinc/04/20/55/218042055.db2.gz YZLFAHRDYHAEMQ-GOSISDBHSA-N 1 1 347.463 0.888 50 0 ECAAMO COCCN1CC[C@]2(CN(C(=O)c3ccc[nH]3)CC[N@H+]2C)CCC1=O ZINC000091754839 218059214 /nfs/dbraw/zinc/05/92/14/218059214.db2.gz PUXHHOSBRJOHRO-SFHVURJKSA-N 1 1 348.447 0.800 50 0 ECAAMO COc1coc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)cc1=O ZINC000091849058 218077214 /nfs/dbraw/zinc/07/72/14/218077214.db2.gz BNXAHMQWPZUEPT-QGZVFWFLSA-N 1 1 336.388 0.455 50 0 ECAAMO COCC1(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)CCC1 ZINC000092001839 218101794 /nfs/dbraw/zinc/10/17/94/218101794.db2.gz TTZMTLGYIJXDAK-SFHVURJKSA-N 1 1 337.464 0.958 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000095455679 218398483 /nfs/dbraw/zinc/39/84/83/218398483.db2.gz HBXMPKCLRCYWTG-HNNXBMFYSA-N 1 1 332.514 0.675 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000095455679 218398484 /nfs/dbraw/zinc/39/84/84/218398484.db2.gz HBXMPKCLRCYWTG-HNNXBMFYSA-N 1 1 332.514 0.675 50 0 ECAAMO O[C@H]1CN(c2cnccn2)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000097575065 219036768 /nfs/dbraw/zinc/03/67/68/219036768.db2.gz WYCDZILBOQBRBS-CQSZACIVSA-N 1 1 328.372 0.888 50 0 ECAAMO O[C@H]1CN(c2cnccn2)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000097575065 219036769 /nfs/dbraw/zinc/03/67/69/219036769.db2.gz WYCDZILBOQBRBS-CQSZACIVSA-N 1 1 328.372 0.888 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCc1nccs1 ZINC000299773438 258085531 /nfs/dbraw/zinc/08/55/31/258085531.db2.gz BAYXOZODSHJECB-UHFFFAOYSA-N 1 1 346.460 0.966 50 0 ECAAMO NC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000248768438 165185599 /nfs/dbraw/zinc/18/55/99/165185599.db2.gz SDXCQFMXYPZBJQ-HZPDHXFCSA-N 1 1 346.431 0.404 50 0 ECAAMO COCCN1CCC[C@]2(CCN(C(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000091754551 292535573 /nfs/dbraw/zinc/53/55/73/292535573.db2.gz BACYQEBVSSULQQ-QGZVFWFLSA-N 1 1 338.452 0.315 50 0 ECAAMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000096444782 276205873 /nfs/dbraw/zinc/20/58/73/276205873.db2.gz GGPZGWBXOJUMAK-SECBINFHSA-N 1 1 333.314 0.360 50 0 ECAAMO CC[N@H+]1CCO[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000096444782 276205877 /nfs/dbraw/zinc/20/58/77/276205877.db2.gz GGPZGWBXOJUMAK-SECBINFHSA-N 1 1 333.314 0.360 50 0 ECAAMO CNC(=O)NC(=O)[C@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065624429 277004491 /nfs/dbraw/zinc/00/44/91/277004491.db2.gz CNZZINMNRFMICJ-MJBXVCDLSA-N 1 1 340.468 0.652 50 0 ECAAMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248680828 279211050 /nfs/dbraw/zinc/21/10/50/279211050.db2.gz OKLNHDXPNQUROG-ZHRONYKTSA-N 1 1 336.436 0.553 50 0 ECAAMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248680828 279211052 /nfs/dbraw/zinc/21/10/52/279211052.db2.gz OKLNHDXPNQUROG-ZHRONYKTSA-N 1 1 336.436 0.553 50 0 ECAAMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000333096673 297109086 /nfs/dbraw/zinc/10/90/86/297109086.db2.gz DSSJBVDFVSRRQN-UHFFFAOYSA-N 1 1 334.424 0.864 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000069737739 435961610 /nfs/dbraw/zinc/96/16/10/435961610.db2.gz UPRWHNDYUQUALA-HNNXBMFYSA-N 1 1 345.447 0.465 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000069737739 435961615 /nfs/dbraw/zinc/96/16/15/435961615.db2.gz UPRWHNDYUQUALA-HNNXBMFYSA-N 1 1 345.447 0.465 50 0 ECAAMO C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738448 435962974 /nfs/dbraw/zinc/96/29/74/435962974.db2.gz DIBJKSBMBZZDBP-AEFFLSMTSA-N 1 1 346.475 0.819 50 0 ECAAMO CCc1nc(CN2CCC[N@@H+](C[C@H](O)Cn3cccn3)CC2)no1 ZINC000069776682 435964515 /nfs/dbraw/zinc/96/45/15/435964515.db2.gz XHZJGYIMPRUYAA-AWEZNQCLSA-N 1 1 334.424 0.397 50 0 ECAAMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000003203071 435973185 /nfs/dbraw/zinc/97/31/85/435973185.db2.gz IAGQNKXBDXVWPR-LLVKDONJSA-N 1 1 341.433 0.414 50 0 in-man ECAAMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000069922812 435976954 /nfs/dbraw/zinc/97/69/54/435976954.db2.gz XLAPZZCGOXTJJA-GJZGRUSLSA-N 1 1 337.439 0.871 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000069626311 435953064 /nfs/dbraw/zinc/95/30/64/435953064.db2.gz OZTOACISTCUQGA-HUUCEWRRSA-N 1 1 343.493 0.791 50 0 ECAAMO CCCC[N@H+](CCO)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000070947691 435998691 /nfs/dbraw/zinc/99/86/91/435998691.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 1 1 329.485 0.554 50 0 ECAAMO CCCC[N@@H+](CCO)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000070947691 435998695 /nfs/dbraw/zinc/99/86/95/435998695.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 1 1 329.485 0.554 50 0 ECAAMO CC[C@H]1CN(CC(=O)N(C)c2nccs2)CC[N@H+]1C[C@@H](C)O ZINC000071864696 436017914 /nfs/dbraw/zinc/01/79/14/436017914.db2.gz DZZJLXKYHHYUMR-OLZOCXBDSA-N 1 1 326.466 0.883 50 0 ECAAMO CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000071856697 436019678 /nfs/dbraw/zinc/01/96/78/436019678.db2.gz DGNMPNTZJMXLGQ-OLZOCXBDSA-N 1 1 342.440 0.674 50 0 ECAAMO O=C(CCn1nnc2ccccc2c1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839915 436019895 /nfs/dbraw/zinc/01/98/95/436019895.db2.gz SVKUOVBHYQCFEB-AWEZNQCLSA-N 1 1 341.415 0.878 50 0 ECAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000071875365 436020894 /nfs/dbraw/zinc/02/08/94/436020894.db2.gz OGZOGXLPBVCGOF-AWEZNQCLSA-N 1 1 331.420 0.644 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000071880990 436024238 /nfs/dbraw/zinc/02/42/38/436024238.db2.gz ARJFPBYJPRVLMQ-HNNXBMFYSA-N 1 1 337.420 0.023 50 0 ECAAMO CCCn1nnnc1CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000071892991 436026218 /nfs/dbraw/zinc/02/62/18/436026218.db2.gz XGJLIMXVEDLACL-UHFFFAOYSA-N 1 1 349.483 0.459 50 0 ECAAMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000072253258 436036539 /nfs/dbraw/zinc/03/65/39/436036539.db2.gz VIXGFOVNUACMHY-RHSMWYFYSA-N 1 1 348.495 0.912 50 0 ECAAMO COc1c([C@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c(C)nn1C ZINC000072253718 436037100 /nfs/dbraw/zinc/03/71/00/436037100.db2.gz YULSDWPWCSAFJZ-CYBMUJFWSA-N 1 1 347.419 0.472 50 0 ECAAMO COc1c([C@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c(C)nn1C ZINC000072253718 436037106 /nfs/dbraw/zinc/03/71/06/436037106.db2.gz YULSDWPWCSAFJZ-CYBMUJFWSA-N 1 1 347.419 0.472 50 0 ECAAMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000072253259 436037118 /nfs/dbraw/zinc/03/71/18/436037118.db2.gz VIXGFOVNUACMHY-WMLDXEAASA-N 1 1 348.495 0.912 50 0 ECAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC000013112541 436060598 /nfs/dbraw/zinc/06/05/98/436060598.db2.gz AHTLBZGKDDPRKX-KGLIPLIRSA-N 1 1 339.388 0.678 50 0 ECAAMO CCn1nnc2cc(C(=O)NC3CC[NH+](CC(=O)NC)CC3)ccc21 ZINC000025229901 436148121 /nfs/dbraw/zinc/14/81/21/436148121.db2.gz YHBKTAYVWKWDIF-UHFFFAOYSA-N 1 1 344.419 0.391 50 0 ECAAMO O=C(C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1)N1CCOCC1 ZINC000075131323 436152487 /nfs/dbraw/zinc/15/24/87/436152487.db2.gz MQBCFAIUKOWUIC-UHFFFAOYSA-N 1 1 349.435 0.314 50 0 ECAAMO O=C(C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1)N1CCOCC1 ZINC000075131323 436152492 /nfs/dbraw/zinc/15/24/92/436152492.db2.gz MQBCFAIUKOWUIC-UHFFFAOYSA-N 1 1 349.435 0.314 50 0 ECAAMO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)cn1 ZINC000077379105 436234595 /nfs/dbraw/zinc/23/45/95/436234595.db2.gz HTEQXSYOCQMWIP-GDBMZVCRSA-N 1 1 329.404 0.663 50 0 ECAAMO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)cn1 ZINC000077379105 436234598 /nfs/dbraw/zinc/23/45/98/436234598.db2.gz HTEQXSYOCQMWIP-GDBMZVCRSA-N 1 1 329.404 0.663 50 0 ECAAMO CN1c2ccccc2C2(CCN(C[C@@]3(O)C[NH2+]CCOC3)CC2)C1=O ZINC000077423563 436235147 /nfs/dbraw/zinc/23/51/47/436235147.db2.gz BIJVCIJMXJRARK-SFHVURJKSA-N 1 1 345.443 0.348 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC000076055491 436189694 /nfs/dbraw/zinc/18/96/94/436189694.db2.gz UKSPMGKXWYZPEY-RDTXWAMCSA-N 1 1 333.480 0.984 50 0 ECAAMO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1nc2ccc(F)cc2[nH]1 ZINC000077377718 436233228 /nfs/dbraw/zinc/23/32/28/436233228.db2.gz IOROYCRHESRUSA-UHFFFAOYSA-N 1 1 331.351 0.919 50 0 ECAAMO COc1ccccc1C(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC000033428416 436253759 /nfs/dbraw/zinc/25/37/59/436253759.db2.gz FYEVTHZVMZSWPE-UHFFFAOYSA-N 1 1 335.404 0.264 50 0 ECAAMO OCCCNc1nc(N2CC[NH+](CCO)CC2)nc2ccccc21 ZINC000041150427 436270083 /nfs/dbraw/zinc/27/00/83/436270083.db2.gz OWIZZOSGKXWWQQ-UHFFFAOYSA-N 1 1 331.420 0.538 50 0 ECAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@@H+](Cc3ccn(C)c(=O)c3)C2)C1=O ZINC000078899342 436282598 /nfs/dbraw/zinc/28/25/98/436282598.db2.gz HWYIAYZAVXQWLY-SUMWQHHRSA-N 1 1 332.404 0.538 50 0 ECAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000042394109 436302802 /nfs/dbraw/zinc/30/28/02/436302802.db2.gz ZEUFBZGXENEXEF-CJNGLKHVSA-N 1 1 334.420 0.754 50 0 ECAAMO Cn1nc(C(C)(C)C)cc1NC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000043597339 436334143 /nfs/dbraw/zinc/33/41/43/436334143.db2.gz JWEZKZHXUDUTKH-UHFFFAOYSA-N 1 1 336.440 0.789 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000044322707 436339901 /nfs/dbraw/zinc/33/99/01/436339901.db2.gz KZKVHWPNRUBJBI-UHFFFAOYSA-N 1 1 343.786 0.924 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000045937080 436381430 /nfs/dbraw/zinc/38/14/30/436381430.db2.gz OGINOZIKBDITPP-UHFFFAOYSA-N 1 1 343.786 0.924 50 0 ECAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000087500189 436399659 /nfs/dbraw/zinc/39/96/59/436399659.db2.gz KVMLRTKFCITRPB-BXUZGUMPSA-N 1 1 325.359 0.990 50 0 ECAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000087500189 436399662 /nfs/dbraw/zinc/39/96/62/436399662.db2.gz KVMLRTKFCITRPB-BXUZGUMPSA-N 1 1 325.359 0.990 50 0 ECAAMO C[C@H]1CCC[N@@H+](CCNC(=O)CCn2cnc3c(cnn3C)c2=O)C1 ZINC000046861292 436401636 /nfs/dbraw/zinc/40/16/36/436401636.db2.gz AVZWUFFULKIIRT-ZDUSSCGKSA-N 1 1 346.435 0.368 50 0 ECAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000046860845 436402730 /nfs/dbraw/zinc/40/27/30/436402730.db2.gz XIYIUVRLJWQGPU-CYBMUJFWSA-N 1 1 331.482 0.649 50 0 ECAAMO C[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000044941562 436355624 /nfs/dbraw/zinc/35/56/24/436355624.db2.gz FKZZCVBHCPYZIY-RDBSUJKOSA-N 1 1 331.482 0.647 50 0 ECAAMO CN(Cc1ccncc1)C(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967811 436357248 /nfs/dbraw/zinc/35/72/48/436357248.db2.gz NOYYQIYALTYAIC-IRXDYDNUSA-N 1 1 348.447 0.960 50 0 ECAAMO CC(=O)N[C@H]1CN(c2nc(N3CCC(O)CC3)cc[nH+]2)C[C@@H]1C1CC1 ZINC000091304928 436448943 /nfs/dbraw/zinc/44/89/43/436448943.db2.gz IUGIWSBMSMIOOT-CVEARBPZSA-N 1 1 345.447 0.789 50 0 ECAAMO CC(=O)N(Cc1ncc(C)o1)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089702320 436416090 /nfs/dbraw/zinc/41/60/90/436416090.db2.gz VBKDWXIOLMYTAC-HOTGVXAUSA-N 1 1 347.419 0.663 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC000089937244 436420664 /nfs/dbraw/zinc/42/06/64/436420664.db2.gz SFEPEFBKGCLGLF-HOCLYGCPSA-N 1 1 345.509 0.296 50 0 ECAAMO CC[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1[NH+]1CCOCC1 ZINC000089948597 436423285 /nfs/dbraw/zinc/42/32/85/436423285.db2.gz ALQDXPIESOUZLT-KGLIPLIRSA-N 1 1 329.404 0.912 50 0 ECAAMO C[N@H+]1CCCN(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000096130840 436514879 /nfs/dbraw/zinc/51/48/79/436514879.db2.gz YJUUDDLCZPRLNM-UHFFFAOYSA-N 1 1 326.422 0.645 50 0 ECAAMO CN(C)c1cncc(N2CCC(c3[nH+]ccn3CC(N)=O)CC2)n1 ZINC000095531411 436499886 /nfs/dbraw/zinc/49/98/86/436499886.db2.gz MKGVLIKCJYHWOY-UHFFFAOYSA-N 1 1 329.408 0.608 50 0 ECAAMO Cn1ncc2cnn(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2c1=O ZINC000095974792 436502082 /nfs/dbraw/zinc/50/20/82/436502082.db2.gz VDTUOHRBGQYBLK-INIZCTEOSA-N 1 1 339.399 0.549 50 0 ECAAMO O=S(=O)(c1cccnc1)N1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC000096099737 436512604 /nfs/dbraw/zinc/51/26/04/436512604.db2.gz BDFZKSGVEUXDIH-AWEZNQCLSA-N 1 1 325.434 0.691 50 0 ECAAMO C/C=C\Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCCO)n(C)c1=O ZINC000096232844 436526810 /nfs/dbraw/zinc/52/68/10/436526810.db2.gz NVOYMDUZCDXRRF-PLNGDYQASA-N 1 1 346.391 0.051 50 0 ECAAMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000096314774 436529646 /nfs/dbraw/zinc/52/96/46/436529646.db2.gz ULFGDHLCNAWSFR-UHFFFAOYSA-N 1 1 339.421 0.101 50 0 ECAAMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000096440565 436532369 /nfs/dbraw/zinc/53/23/69/436532369.db2.gz GBYGFPOMNOUTJH-HNNXBMFYSA-N 1 1 333.436 0.986 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ncnc2nc[nH]c21 ZINC000058380501 436625690 /nfs/dbraw/zinc/62/56/90/436625690.db2.gz KARBFBSXMDYEGW-VXGBXAGGSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ncnc2[nH]cnc21 ZINC000058380501 436625692 /nfs/dbraw/zinc/62/56/92/436625692.db2.gz KARBFBSXMDYEGW-VXGBXAGGSA-N 1 1 329.408 0.532 50 0 ECAAMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ncnc2[nH]cnc21 ZINC000058380501 436625693 /nfs/dbraw/zinc/62/56/93/436625693.db2.gz KARBFBSXMDYEGW-VXGBXAGGSA-N 1 1 329.408 0.532 50 0 ECAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1-n1cnnn1 ZINC000106761982 436601520 /nfs/dbraw/zinc/60/15/20/436601520.db2.gz UBPKRZPSHBFSJF-STQMWFEESA-N 1 1 328.376 0.255 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)CC1 ZINC000057355324 436610748 /nfs/dbraw/zinc/61/07/48/436610748.db2.gz GYKDSXNAMQTRIF-UHFFFAOYSA-N 1 1 349.435 0.199 50 0 ECAAMO NC(=O)Cn1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000063656385 436644612 /nfs/dbraw/zinc/64/46/12/436644612.db2.gz KCHFVEYJEVBVCA-AWEZNQCLSA-N 1 1 327.388 0.972 50 0 ECAAMO NC(=O)Cn1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000063656385 436644614 /nfs/dbraw/zinc/64/46/14/436644614.db2.gz KCHFVEYJEVBVCA-AWEZNQCLSA-N 1 1 327.388 0.972 50 0 ECAAMO O=C(NCCNc1nc(N2CCC[C@H](O)C2)cc[nH+]1)c1ccncc1 ZINC000065370292 436656186 /nfs/dbraw/zinc/65/61/86/436656186.db2.gz YGPHAYFHDMAMEV-AWEZNQCLSA-N 1 1 342.403 0.675 50 0 ECAAMO COc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)cc(OC)c1OC ZINC000065395529 436656835 /nfs/dbraw/zinc/65/68/35/436656835.db2.gz CZJMMMVCPGYJHH-FZKQIMNGSA-N 1 1 349.431 0.480 50 0 ECAAMO COc1cc(CC(=O)N[C@H]2C[N@H+](C)C[C@@H]2OC)cc(OC)c1OC ZINC000219966519 436697425 /nfs/dbraw/zinc/69/74/25/436697425.db2.gz DIGLIDXRWPMWSR-WFASDCNBSA-N 1 1 338.404 0.700 50 0 ECAAMO Cc1csc(CCNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000220029480 436698115 /nfs/dbraw/zinc/69/81/15/436698115.db2.gz RMGUGSZUZKPJDU-LBPRGKRZSA-N 1 1 345.490 0.619 50 0 ECAAMO Cc1csc(CCNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000220029480 436698117 /nfs/dbraw/zinc/69/81/17/436698117.db2.gz RMGUGSZUZKPJDU-LBPRGKRZSA-N 1 1 345.490 0.619 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N)nc2)CC1=O ZINC000151613624 436706100 /nfs/dbraw/zinc/70/61/00/436706100.db2.gz BKGGIKQLHYJYRI-OCCSQVGLSA-N 1 1 331.420 0.935 50 0 ECAAMO COc1cc2c(cc1CNC(=O)CN1CCC[N@@H+](C)CC1)OCCO2 ZINC000223413647 436707793 /nfs/dbraw/zinc/70/77/93/436707793.db2.gz ISBVBXLDHVVFOK-UHFFFAOYSA-N 1 1 349.431 0.720 50 0 ECAAMO CN(C)c1ccc(O[C@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000225449641 436709792 /nfs/dbraw/zinc/70/97/92/436709792.db2.gz UVUQXBACWFHCHS-ZDUSSCGKSA-N 1 1 334.424 0.363 50 0 ECAAMO COc1cc(NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)ncn1 ZINC000065464988 436663260 /nfs/dbraw/zinc/66/32/60/436663260.db2.gz BXENPPDKPQBTRR-UHFFFAOYSA-N 1 1 340.449 0.939 50 0 ECAAMO CCS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000065462749 436663430 /nfs/dbraw/zinc/66/34/30/436663430.db2.gz GDGNDZPJIHNBEZ-AWEZNQCLSA-N 1 1 331.482 0.745 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000241862516 436758806 /nfs/dbraw/zinc/75/88/06/436758806.db2.gz SQUVVWYEPHTNFY-SDDRHHMPSA-N 1 1 325.375 0.830 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@H]2C)CC1 ZINC000229307209 436715475 /nfs/dbraw/zinc/71/54/75/436715475.db2.gz OOWXGPIVLZEOON-WMLDXEAASA-N 1 1 336.480 0.339 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000229829078 436716760 /nfs/dbraw/zinc/71/67/60/436716760.db2.gz KLAOTTGSMSOGTR-MAUKXSAKSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000229829078 436716762 /nfs/dbraw/zinc/71/67/62/436716762.db2.gz KLAOTTGSMSOGTR-MAUKXSAKSA-N 1 1 346.475 0.760 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000229829078 436716765 /nfs/dbraw/zinc/71/67/65/436716765.db2.gz KLAOTTGSMSOGTR-MAUKXSAKSA-N 1 1 346.475 0.760 50 0 ECAAMO CN(CC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1)Cc1ccncc1 ZINC000230478677 436717206 /nfs/dbraw/zinc/71/72/06/436717206.db2.gz MCQJTUIWMPIPAG-GOSISDBHSA-N 1 1 346.475 0.819 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000249092698 436814834 /nfs/dbraw/zinc/81/48/34/436814834.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 1 1 326.485 0.956 50 0 ECAAMO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000249092698 436814837 /nfs/dbraw/zinc/81/48/37/436814837.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 1 1 326.485 0.956 50 0 ECAAMO COCC[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069421245 436773084 /nfs/dbraw/zinc/77/30/84/436773084.db2.gz XJDKPNVTBJZRAX-UHFFFAOYSA-N 1 1 343.449 0.245 50 0 ECAAMO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000247396094 436793844 /nfs/dbraw/zinc/79/38/44/436793844.db2.gz XWCQHFWNFJLUBN-ZIAGYGMSSA-N 1 1 335.452 0.828 50 0 ECAAMO CCOC(=O)CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000253420174 436843263 /nfs/dbraw/zinc/84/32/63/436843263.db2.gz NBSIBLCVMWVPLP-ZDUSSCGKSA-N 1 1 334.438 0.066 50 0 ECAAMO CCOC(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000253420174 436843270 /nfs/dbraw/zinc/84/32/70/436843270.db2.gz NBSIBLCVMWVPLP-ZDUSSCGKSA-N 1 1 334.438 0.066 50 0 ECAAMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000253426264 436845730 /nfs/dbraw/zinc/84/57/30/436845730.db2.gz RRMSFWGXHBFFRR-OAHLLOKOSA-N 1 1 333.436 0.625 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000253426264 436845733 /nfs/dbraw/zinc/84/57/33/436845733.db2.gz RRMSFWGXHBFFRR-OAHLLOKOSA-N 1 1 333.436 0.625 50 0 ECAAMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000252499148 436836235 /nfs/dbraw/zinc/83/62/35/436836235.db2.gz RWDBIKFQSLNJSY-OAHLLOKOSA-N 1 1 332.404 0.555 50 0 ECAAMO CCCc1nc2c(cnn2C)c(N2CCN3CC[N@@H+](C)C[C@H]3C2)n1 ZINC000252498031 436836828 /nfs/dbraw/zinc/83/68/28/436836828.db2.gz JEICPOVHGNEQQQ-ZDUSSCGKSA-N 1 1 329.452 0.752 50 0 ECAAMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000257365849 436877892 /nfs/dbraw/zinc/87/78/92/436877892.db2.gz VIXGFOVNUACMHY-PBHICJAKSA-N 1 1 348.495 0.912 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1nncn1CCc1ccccc1 ZINC000299763995 437111113 /nfs/dbraw/zinc/11/11/13/437111113.db2.gz IOIPVRAWAVAAPG-MRXNPFEDSA-N 1 1 343.431 0.594 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1nncn1CCc1ccccc1 ZINC000299763995 437111118 /nfs/dbraw/zinc/11/11/18/437111118.db2.gz IOIPVRAWAVAAPG-MRXNPFEDSA-N 1 1 343.431 0.594 50 0 ECAAMO Cc1cc(NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n(C)n1 ZINC000188930398 437577857 /nfs/dbraw/zinc/57/78/57/437577857.db2.gz IGOUBMUFONVQAI-UHFFFAOYSA-N 1 1 344.419 0.882 50 0 ECAAMO FC(F)(F)Cn1nnnc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000190918183 437642207 /nfs/dbraw/zinc/64/22/07/437642207.db2.gz ZJENVXQYGUOKKJ-LBPRGKRZSA-N 1 1 348.373 0.922 50 0 ECAAMO Cn1ccnc1CN1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426490299 438060700 /nfs/dbraw/zinc/06/07/00/438060700.db2.gz ZRBASKSXOJZHPT-ZDUSSCGKSA-N 1 1 343.435 0.618 50 0 ECAAMO COCCN(Cc1cnn(C)c1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426535709 438064550 /nfs/dbraw/zinc/06/45/50/438064550.db2.gz ULYQRUMVHYBVEW-CYBMUJFWSA-N 1 1 332.408 0.949 50 0 ECAAMO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCSc1cn[nH]n1 ZINC000426547740 438064593 /nfs/dbraw/zinc/06/45/93/438064593.db2.gz ZOUMELTWMVCZSU-LLVKDONJSA-N 1 1 335.437 0.377 50 0 ECAAMO Cc1cccnc1CCNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426538245 438064773 /nfs/dbraw/zinc/06/47/73/438064773.db2.gz ARUOFBKNKFIXDA-CQSZACIVSA-N 1 1 343.431 0.587 50 0 ECAAMO Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426667432 438070603 /nfs/dbraw/zinc/07/06/03/438070603.db2.gz NGYIXIKMRDIZMA-LLVKDONJSA-N 1 1 349.416 0.244 50 0 ECAAMO Cc1nn2cc(CN=c3cc([C@H]4CCOC4)[nH+]c(N)[nH]3)nc2s1 ZINC000426667307 438071207 /nfs/dbraw/zinc/07/12/07/438071207.db2.gz DMQXWMMXYWVBQI-VIFPVBQESA-N 1 1 331.405 1.009 50 0 ECAAMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000588080564 438817705 /nfs/dbraw/zinc/81/77/05/438817705.db2.gz HONCRPNMOVYTPM-SOUVJXGZSA-N 1 1 349.479 0.601 50 0 ECAAMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000588080564 438817712 /nfs/dbraw/zinc/81/77/12/438817712.db2.gz HONCRPNMOVYTPM-SOUVJXGZSA-N 1 1 349.479 0.601 50 0 ECAAMO O=C(C[C@@H](O)c1cccc(F)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000585136730 439634701 /nfs/dbraw/zinc/63/47/01/439634701.db2.gz QTTLFNCCNBVTIW-HZPDHXFCSA-N 1 1 349.406 0.672 50 0 ECAAMO CN(Cc1ncc[nH]1)C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000584902206 439626358 /nfs/dbraw/zinc/62/63/58/439626358.db2.gz DGSWYDUNXMWFTA-UHFFFAOYSA-N 1 1 334.424 0.294 50 0 ECAAMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000229820857 535523203 /nfs/dbraw/zinc/52/32/03/535523203.db2.gz YNKFGTGAIQDPMK-UONOGXRCSA-N 1 1 349.497 0.826 50 0 ECAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000055399177 536428057 /nfs/dbraw/zinc/42/80/57/536428057.db2.gz NELXOBPOTDGLGF-AWEZNQCLSA-N 1 1 342.399 0.400 50 0 ECAAMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)[nH]n1 ZINC000084110893 545707563 /nfs/dbraw/zinc/70/75/63/545707563.db2.gz QIAUAVJFJLUJAR-KGLIPLIRSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n[nH]1 ZINC000084110893 545707567 /nfs/dbraw/zinc/70/75/67/545707567.db2.gz QIAUAVJFJLUJAR-KGLIPLIRSA-N 1 1 333.436 0.621 50 0 ECAAMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n[nH]1 ZINC000084110893 545707571 /nfs/dbraw/zinc/70/75/71/545707571.db2.gz QIAUAVJFJLUJAR-KGLIPLIRSA-N 1 1 333.436 0.621 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000084304100 545709499 /nfs/dbraw/zinc/70/94/99/545709499.db2.gz SDRKPQSABCLAMX-OAHLLOKOSA-N 1 1 346.479 0.725 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000084304100 545709507 /nfs/dbraw/zinc/70/95/07/545709507.db2.gz SDRKPQSABCLAMX-OAHLLOKOSA-N 1 1 346.479 0.725 50 0 ECAAMO CCCn1nc(C(=O)N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)ccc1=O ZINC000084759106 545713100 /nfs/dbraw/zinc/71/31/00/545713100.db2.gz RIWODYNTBYPFIF-ZBFHGGJFSA-N 1 1 348.447 0.836 50 0 ECAAMO Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)c1ccc3cncn3c1)C2 ZINC000685943377 549729718 /nfs/dbraw/zinc/72/97/18/549729718.db2.gz VSUUTNNVGKPPFL-OAHLLOKOSA-N 1 1 339.403 0.820 50 0 ECAAMO Cn1cc([C@H](CNC(=O)CN2CCCCCCC2=O)[NH+](C)C)cn1 ZINC000172150878 609768396 /nfs/dbraw/zinc/76/83/96/609768396.db2.gz VXXCTAAOXDFBOX-HNNXBMFYSA-N 1 1 335.452 0.932 50 0 ECAAMO CS(=O)(=O)C1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000173501361 609780982 /nfs/dbraw/zinc/78/09/82/609780982.db2.gz PDFSRYLESQFWGJ-MOKVOYLWSA-N 1 1 329.466 0.832 50 0 ECAAMO Cc1[nH+]ccn1CC1(CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000952981905 612139774 /nfs/dbraw/zinc/13/97/74/612139774.db2.gz VLNOJISOPJCVBB-UHFFFAOYSA-N 1 1 331.376 0.840 50 0 ECAAMO CC(C)[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981293 612139934 /nfs/dbraw/zinc/13/99/34/612139934.db2.gz DFJLXNLPTGYIBA-GXTWGEPZSA-N 1 1 349.435 0.958 50 0 ECAAMO CC(C)[C@@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1nc(C2CC2)no1 ZINC000952981293 612139935 /nfs/dbraw/zinc/13/99/35/612139935.db2.gz DFJLXNLPTGYIBA-GXTWGEPZSA-N 1 1 349.435 0.958 50 0 ECAAMO Cc1[nH+]ccn1CCC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091518598 612865144 /nfs/dbraw/zinc/86/51/44/612865144.db2.gz YMPRZRPXVLLOMJ-UHFFFAOYSA-N 1 1 348.447 0.805 50 0 ECAAMO CC(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000050990770 214074419 /nfs/dbraw/zinc/07/44/19/214074419.db2.gz CUOIIBAUKFXKGB-MRVPVSSYSA-N 1 1 338.330 0.364 50 0 ECAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000051201037 214083890 /nfs/dbraw/zinc/08/38/90/214083890.db2.gz JLJPOJJTBJRCTF-GFCCVEGCSA-N 1 1 325.409 0.982 50 0 ECAAMO Cn1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1=O ZINC000052134667 214119019 /nfs/dbraw/zinc/11/90/19/214119019.db2.gz OPGWBWKDXKNBPA-CQSZACIVSA-N 1 1 327.450 0.679 50 0 ECAAMO NC(=O)C[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C1CCCC1 ZINC000052844375 214150453 /nfs/dbraw/zinc/15/04/53/214150453.db2.gz MVOVMNBMDIIWBD-UHFFFAOYSA-N 1 1 348.447 0.654 50 0 ECAAMO NC(=O)C[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C1CCCC1 ZINC000052844375 214150455 /nfs/dbraw/zinc/15/04/55/214150455.db2.gz MVOVMNBMDIIWBD-UHFFFAOYSA-N 1 1 348.447 0.654 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC000053761903 214197399 /nfs/dbraw/zinc/19/73/99/214197399.db2.gz ALFBYOZGWPSMGH-OAHLLOKOSA-N 1 1 344.419 0.749 50 0 ECAAMO CN(C)C(=O)CN1CC[NH+](CCCn2c3ccccc3oc2=O)CC1 ZINC000058378998 214566885 /nfs/dbraw/zinc/56/68/85/214566885.db2.gz HUXXGHHSWPIMQW-UHFFFAOYSA-N 1 1 346.431 0.690 50 0 ECAAMO COCCN1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000101130652 219117063 /nfs/dbraw/zinc/11/70/63/219117063.db2.gz KZUMRKHRQFISFI-MRXNPFEDSA-N 1 1 331.416 0.578 50 0 ECAAMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000067650717 215174144 /nfs/dbraw/zinc/17/41/44/215174144.db2.gz ZXFXDCLFJYZMEW-JTQLQIEISA-N 1 1 330.310 0.524 50 0 ECAAMO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)COCc1nc2cccc(C)c2[nH]1 ZINC000067803441 215215025 /nfs/dbraw/zinc/21/50/25/215215025.db2.gz VYGCRLCXZREVRO-AAEUAGOBSA-N 1 1 345.403 0.062 50 0 ECAAMO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[N@H+]1CCNC(=O)CC1 ZINC000067817045 215219933 /nfs/dbraw/zinc/21/99/33/215219933.db2.gz IEUZXAAEAHSAQP-SFHVURJKSA-N 1 1 349.406 0.501 50 0 ECAAMO C[N@H+]1CC[C@H](CNC(=O)c2nccnc2C(=O)N2CCCCC2)C1 ZINC000067907920 215247243 /nfs/dbraw/zinc/24/72/43/215247243.db2.gz BLVIQGHLQQPDGT-CYBMUJFWSA-N 1 1 331.420 0.784 50 0 ECAAMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCC(N)=O ZINC000040534757 213339717 /nfs/dbraw/zinc/33/97/17/213339717.db2.gz OCZZMJNLMCWUHN-UONOGXRCSA-N 1 1 347.415 0.916 50 0 ECAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCc1ncc[nH]1 ZINC000072150294 216037976 /nfs/dbraw/zinc/03/79/76/216037976.db2.gz OMEOPFHBCDAQBF-CQSZACIVSA-N 1 1 333.436 0.797 50 0 ECAAMO Cc1cccc2nc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)cn21 ZINC000072157137 216046878 /nfs/dbraw/zinc/04/68/78/216046878.db2.gz PKFPUPGGPYVWJC-AWEZNQCLSA-N 1 1 327.388 0.335 50 0 ECAAMO C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1[NH+]1CCOCC1 ZINC000072300397 216137858 /nfs/dbraw/zinc/13/78/58/216137858.db2.gz KGHBVFFRQJYSAG-RHSMWYFYSA-N 1 1 343.427 0.822 50 0 ECAAMO CCS(=O)(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000130106842 223122831 /nfs/dbraw/zinc/12/28/31/223122831.db2.gz DRDFWHJYECQDTB-UHFFFAOYSA-N 1 1 325.434 0.765 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000193067441 240005079 /nfs/dbraw/zinc/00/50/79/240005079.db2.gz ZDJHCSBLBWFWSQ-JKSUJKDBSA-N 1 1 325.453 0.768 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217490841 241252983 /nfs/dbraw/zinc/25/29/83/241252983.db2.gz YLCODROEKUJPKD-ZDUSSCGKSA-N 1 1 344.419 1.000 50 0 ECAAMO C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000241942396 243005062 /nfs/dbraw/zinc/00/50/62/243005062.db2.gz UMGFGNLIDCIIIF-CYBMUJFWSA-N 1 1 344.481 0.314 50 0 ECAAMO COCc1nnc(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000244742068 243073695 /nfs/dbraw/zinc/07/36/95/243073695.db2.gz OBHZFQYGAWBMDV-LLVKDONJSA-N 1 1 325.438 0.793 50 0 ECAAMO O=C(CCC(=O)NCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000020169457 212108274 /nfs/dbraw/zinc/10/82/74/212108274.db2.gz QICRHLOCKWHJCK-UHFFFAOYSA-N 1 1 333.432 0.922 50 0 ECAAMO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[NH+](CCO)CC1 ZINC000020132549 212103950 /nfs/dbraw/zinc/10/39/50/212103950.db2.gz IPUMVAWMMAGIFY-UHFFFAOYSA-N 1 1 345.399 0.199 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ccc(Cl)cc1 ZINC000019831477 212073406 /nfs/dbraw/zinc/07/34/06/212073406.db2.gz YDANCMCQTFKLRN-UHFFFAOYSA-N 1 1 339.823 0.795 50 0 ECAAMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000078611069 217086716 /nfs/dbraw/zinc/08/67/16/217086716.db2.gz ICXKDHSDVPOBBE-LLVKDONJSA-N 1 1 340.424 0.916 50 0 ECAAMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000078611069 217086719 /nfs/dbraw/zinc/08/67/19/217086719.db2.gz ICXKDHSDVPOBBE-LLVKDONJSA-N 1 1 340.424 0.916 50 0 ECAAMO Cc1[nH+]ccn1CCN(C)C(=O)Cn1nnnc1CN(C)C(C)C ZINC000012317499 211345078 /nfs/dbraw/zinc/34/50/78/211345078.db2.gz QIYINNLBSPYTRP-UHFFFAOYSA-N 1 1 334.428 0.177 50 0 ECAAMO COc1cccc(OC2CN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C2)c1 ZINC000091535437 218019518 /nfs/dbraw/zinc/01/95/18/218019518.db2.gz JAELQCLBGNTWSU-CYBMUJFWSA-N 1 1 347.415 0.482 50 0 ECAAMO CCn1c(C)cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091563220 218022196 /nfs/dbraw/zinc/02/21/96/218022196.db2.gz MOSLLISNXJMWCR-HZPDHXFCSA-N 1 1 337.464 0.729 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000091586257 218025995 /nfs/dbraw/zinc/02/59/95/218025995.db2.gz MVYYLUHNKDWESM-LBPRGKRZSA-N 1 1 342.399 0.455 50 0 ECAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091593169 218028745 /nfs/dbraw/zinc/02/87/45/218028745.db2.gz WXSJIMQIHPBQSE-RTBURBONSA-N 1 1 345.487 0.934 50 0 ECAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091593169 218028746 /nfs/dbraw/zinc/02/87/46/218028746.db2.gz WXSJIMQIHPBQSE-RTBURBONSA-N 1 1 345.487 0.934 50 0 ECAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000091593169 218028748 /nfs/dbraw/zinc/02/87/48/218028748.db2.gz WXSJIMQIHPBQSE-RTBURBONSA-N 1 1 345.487 0.934 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cncn1)C2 ZINC000091595714 218029514 /nfs/dbraw/zinc/02/95/14/218029514.db2.gz KLYAJMYOGGELPQ-LSDHHAIUSA-N 1 1 348.451 0.069 50 0 ECAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cncn1)C2 ZINC000091595714 218029516 /nfs/dbraw/zinc/02/95/16/218029516.db2.gz KLYAJMYOGGELPQ-LSDHHAIUSA-N 1 1 348.451 0.069 50 0 ECAAMO Cc1c(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)ccn1C ZINC000091690744 218047804 /nfs/dbraw/zinc/04/78/04/218047804.db2.gz NSZSARCKFOEJRO-HZPDHXFCSA-N 1 1 336.480 0.507 50 0 ECAAMO Cc1c(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)ccn1C ZINC000091690744 218047807 /nfs/dbraw/zinc/04/78/07/218047807.db2.gz NSZSARCKFOEJRO-HZPDHXFCSA-N 1 1 336.480 0.507 50 0 ECAAMO Cc1n[nH]c(C)c1[C@H](N)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2O ZINC000091650757 218039967 /nfs/dbraw/zinc/03/99/67/218039967.db2.gz DGGZISIEXLYEML-LNRIEFBSSA-N 1 1 335.452 0.187 50 0 ECAAMO Cc1n[nH]c(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091726074 218054301 /nfs/dbraw/zinc/05/43/01/218054301.db2.gz LMCNIJPYQBYZBB-HUUCEWRRSA-N 1 1 335.452 0.599 50 0 ECAAMO O=C(CCC[NH+]1CCCCC1)N1CCNC(=O)[C@H]1Cc1cnc[nH]1 ZINC000091820055 218071542 /nfs/dbraw/zinc/07/15/42/218071542.db2.gz URBUJGAELNNOGP-OAHLLOKOSA-N 1 1 333.436 0.545 50 0 ECAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C[N@H+](CC(N)=O)C[C@@H]1C1CC1 ZINC000091987933 218098985 /nfs/dbraw/zinc/09/89/85/218098985.db2.gz XAOIMDKEQFNRKU-CVEARBPZSA-N 1 1 347.463 0.281 50 0 ECAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1C1CC1 ZINC000091987933 218098987 /nfs/dbraw/zinc/09/89/87/218098987.db2.gz XAOIMDKEQFNRKU-CVEARBPZSA-N 1 1 347.463 0.281 50 0 ECAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)CSc2nnc(C)o2)C[C@@H]1CO ZINC000092021589 218105316 /nfs/dbraw/zinc/10/53/16/218105316.db2.gz DAOUXCJYGZNACD-VXGBXAGGSA-N 1 1 328.438 0.489 50 0 ECAAMO CC[N@@H+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CO ZINC000092046155 218110816 /nfs/dbraw/zinc/11/08/16/218110816.db2.gz IBWQXGNYQGUOHA-ZIAGYGMSSA-N 1 1 342.461 0.876 50 0 ECAAMO Cc1cccn2c(=O)c(C(=O)NCCC[NH+]3CCOCC3)c(O)nc12 ZINC000009830138 211127619 /nfs/dbraw/zinc/12/76/19/211127619.db2.gz FPVQOCYIUAGNHW-UHFFFAOYSA-N 1 1 346.387 0.161 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000095402304 218337222 /nfs/dbraw/zinc/33/72/22/218337222.db2.gz OJSDWOMCVIRRBA-CQSZACIVSA-N 1 1 349.435 0.312 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000095402304 218337225 /nfs/dbraw/zinc/33/72/25/218337225.db2.gz OJSDWOMCVIRRBA-CQSZACIVSA-N 1 1 349.435 0.312 50 0 ECAAMO O[C@@H]1CN(c2nnnn2-c2ccccc2)CC[N@H+](Cc2ccco2)C1 ZINC000097463496 219025765 /nfs/dbraw/zinc/02/57/65/219025765.db2.gz RQBBHHUUEQPHJD-HNNXBMFYSA-N 1 1 340.387 0.938 50 0 ECAAMO O[C@@H]1CN(c2nnnn2-c2ccccc2)CC[N@@H+](Cc2ccco2)C1 ZINC000097463496 219025767 /nfs/dbraw/zinc/02/57/67/219025767.db2.gz RQBBHHUUEQPHJD-HNNXBMFYSA-N 1 1 340.387 0.938 50 0 ECAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299773338 258085501 /nfs/dbraw/zinc/08/55/01/258085501.db2.gz FBFHZGVAYWTOED-LBPRGKRZSA-N 1 1 342.399 0.663 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2O)no1 ZINC000299785860 258093138 /nfs/dbraw/zinc/09/31/38/258093138.db2.gz ORAPFCPXJNPYID-DGCLKSJQSA-N 1 1 342.359 0.624 50 0 ECAAMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(F)c1 ZINC000299788976 258094838 /nfs/dbraw/zinc/09/48/38/258094838.db2.gz XSYHFWVFYDTKJN-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(F)c1 ZINC000299788976 258094839 /nfs/dbraw/zinc/09/48/39/258094839.db2.gz XSYHFWVFYDTKJN-HUUCEWRRSA-N 1 1 337.395 0.387 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000031810774 258058586 /nfs/dbraw/zinc/05/85/86/258058586.db2.gz AXYKWUIGHKIHCR-UHFFFAOYSA-N 1 1 330.388 0.945 50 0 ECAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000173131032 258071637 /nfs/dbraw/zinc/07/16/37/258071637.db2.gz NOYYZUDQNWLMGJ-UHFFFAOYSA-N 1 1 343.493 0.745 50 0 ECAAMO CN1CCN(CC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)C1=O ZINC000299765464 258081003 /nfs/dbraw/zinc/08/10/03/258081003.db2.gz BDIZWSPRFRWFBB-UHFFFAOYSA-N 1 1 331.420 0.483 50 0 ECAAMO CN1CCN(CC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)C1=O ZINC000299765464 258081005 /nfs/dbraw/zinc/08/10/05/258081005.db2.gz BDIZWSPRFRWFBB-UHFFFAOYSA-N 1 1 331.420 0.483 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)c(O)c1 ZINC000091679880 292069264 /nfs/dbraw/zinc/06/92/64/292069264.db2.gz ARYILKZZZBBZSC-HZPDHXFCSA-N 1 1 349.475 0.875 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)c(O)c1 ZINC000091679880 292069266 /nfs/dbraw/zinc/06/92/66/292069266.db2.gz ARYILKZZZBBZSC-HZPDHXFCSA-N 1 1 349.475 0.875 50 0 ECAAMO CCCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010387001 273606721 /nfs/dbraw/zinc/60/67/21/273606721.db2.gz KEOHPSIQZGDYON-UHFFFAOYSA-N 1 1 348.407 0.539 50 0 ECAAMO CC(C)c1ccc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(=O)[nH]1 ZINC000097660342 276050466 /nfs/dbraw/zinc/05/04/66/276050466.db2.gz NHEKFIYDWCAHOJ-LBPRGKRZSA-N 1 1 334.420 0.425 50 0 ECAAMO CN(CCCCN1CCOCC1)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2 ZINC000065398547 289617448 /nfs/dbraw/zinc/61/74/48/289617448.db2.gz ZUCPYZGFCOCGNJ-UHFFFAOYSA-N 1 1 335.452 0.007 50 0 ECAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC[C@](C)(O)[C@H](C)C1 ZINC000091550433 293297405 /nfs/dbraw/zinc/29/74/05/293297405.db2.gz KOVKLSMRSHZKCZ-ACJLOTCBSA-N 1 1 347.463 0.770 50 0 ECAAMO O=C(Nc1ccn2ccnc2c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333384141 297130128 /nfs/dbraw/zinc/13/01/28/297130128.db2.gz WNWFHAYCBYRUDK-CQSZACIVSA-N 1 1 342.403 0.762 50 0 ECAAMO CN(C)c1[nH+]cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1C ZINC000333491755 297137947 /nfs/dbraw/zinc/13/79/47/297137947.db2.gz QYBULVIVEASKEY-HNNXBMFYSA-N 1 1 335.452 0.699 50 0 ECAAMO COc1cccc(S(=O)(=O)CCN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000069841345 435967652 /nfs/dbraw/zinc/96/76/52/435967652.db2.gz GUBJLJIYZPKUPM-HNNXBMFYSA-N 1 1 342.461 0.731 50 0 ECAAMO C[NH+]1CCN(C(=O)CCNC(=O)CSCc2ccccn2)CC1 ZINC000069817717 435968772 /nfs/dbraw/zinc/96/87/72/435968772.db2.gz ZMQVEHQFFRJENZ-UHFFFAOYSA-N 1 1 336.461 0.595 50 0 ECAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000069818355 435969893 /nfs/dbraw/zinc/96/98/93/435969893.db2.gz DBYUQLLHMHQHOW-LSDHHAIUSA-N 1 1 331.482 0.743 50 0 ECAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069870862 435972747 /nfs/dbraw/zinc/97/27/47/435972747.db2.gz WVKOWKMVSALZLI-HOCLYGCPSA-N 1 1 348.451 0.069 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3nccs3)C2)CC1 ZINC000069980887 435979981 /nfs/dbraw/zinc/97/99/81/435979981.db2.gz MUUCBFMSSJTFIB-KBPBESRZSA-N 1 1 338.477 0.885 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)COc3cccnc3)CC2)cn1 ZINC000069621743 435950877 /nfs/dbraw/zinc/95/08/77/435950877.db2.gz XASXHODPDJTPLM-UHFFFAOYSA-N 1 1 329.404 0.928 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)COc3cccnc3)CC2)cn1 ZINC000069621743 435950883 /nfs/dbraw/zinc/95/08/83/435950883.db2.gz XASXHODPDJTPLM-UHFFFAOYSA-N 1 1 329.404 0.928 50 0 ECAAMO Cc1noc(Cl)c1CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000071841324 436017086 /nfs/dbraw/zinc/01/70/86/436017086.db2.gz KGHAQWSLKWBTTO-UHFFFAOYSA-N 1 1 328.800 0.635 50 0 ECAAMO NC(=O)[C@@H]1CC[N@H+](Cc2nc(CC(=O)NCc3ccccc3)no2)C1 ZINC000071853367 436020090 /nfs/dbraw/zinc/02/00/90/436020090.db2.gz ROQWABROCCTKCE-CYBMUJFWSA-N 1 1 343.387 0.236 50 0 ECAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2nc(CC(=O)NCc3ccccc3)no2)C1 ZINC000071853367 436020096 /nfs/dbraw/zinc/02/00/96/436020096.db2.gz ROQWABROCCTKCE-CYBMUJFWSA-N 1 1 343.387 0.236 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000071875904 436020429 /nfs/dbraw/zinc/02/04/29/436020429.db2.gz AKSIBRVSRJBMSJ-LSDHHAIUSA-N 1 1 333.436 0.441 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000071875904 436020436 /nfs/dbraw/zinc/02/04/36/436020436.db2.gz AKSIBRVSRJBMSJ-LSDHHAIUSA-N 1 1 333.436 0.441 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000071880970 436023960 /nfs/dbraw/zinc/02/39/60/436023960.db2.gz RCFBEWCVCZRMFE-HOCLYGCPSA-N 1 1 337.464 0.693 50 0 ECAAMO C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877129 436024710 /nfs/dbraw/zinc/02/47/10/436024710.db2.gz YHRAHFTZQUDUKJ-APWZRJJASA-N 1 1 333.476 0.404 50 0 ECAAMO C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877129 436024717 /nfs/dbraw/zinc/02/47/17/436024717.db2.gz YHRAHFTZQUDUKJ-APWZRJJASA-N 1 1 333.476 0.404 50 0 ECAAMO Cc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@H](O)Cn3cccn3)C2)no1 ZINC000071877566 436025382 /nfs/dbraw/zinc/02/53/82/436025382.db2.gz VHTSILFSNQGVLS-CABCVRRESA-N 1 1 334.424 0.532 50 0 ECAAMO CC[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000071877552 436025527 /nfs/dbraw/zinc/02/55/27/436025527.db2.gz SQUVVWYEPHTNFY-GRYCIOLGSA-N 1 1 325.375 0.830 50 0 ECAAMO COc1c([C@@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c(C)nn1C ZINC000072253990 436036629 /nfs/dbraw/zinc/03/66/29/436036629.db2.gz OYZSFSAYAQCEMQ-CABCVRRESA-N 1 1 338.452 0.567 50 0 ECAAMO COC(C)(C)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072167209 436037527 /nfs/dbraw/zinc/03/75/27/436037527.db2.gz ZKEQWBVURXMYSF-INIZCTEOSA-N 1 1 347.459 0.961 50 0 ECAAMO COC(C)(C)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072167209 436037533 /nfs/dbraw/zinc/03/75/33/436037533.db2.gz ZKEQWBVURXMYSF-INIZCTEOSA-N 1 1 347.459 0.961 50 0 ECAAMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000072268613 436037626 /nfs/dbraw/zinc/03/76/26/436037626.db2.gz YFWXENIADMIWCB-GJZGRUSLSA-N 1 1 348.447 0.449 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000072279882 436038878 /nfs/dbraw/zinc/03/88/78/436038878.db2.gz LYEFRLDZIMNTAP-ZFWWWQNUSA-N 1 1 335.452 0.956 50 0 ECAAMO C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000072279882 436038885 /nfs/dbraw/zinc/03/88/85/436038885.db2.gz LYEFRLDZIMNTAP-ZFWWWQNUSA-N 1 1 335.452 0.956 50 0 ECAAMO CCOCC[N@@H+]1CCC[C@]2(C(=O)[O-])CN(c3nc(N)cc[nH+]3)CC[C@@H]12 ZINC000072435337 436045982 /nfs/dbraw/zinc/04/59/82/436045982.db2.gz AQUPRYYXHUMUQD-DYVFJYSZSA-N 1 1 349.435 0.841 50 0 ECAAMO CCOCC[N@H+]1CCC[C@]2(C(=O)[O-])CN(c3nc(N)cc[nH+]3)CC[C@@H]12 ZINC000072435337 436045989 /nfs/dbraw/zinc/04/59/89/436045989.db2.gz AQUPRYYXHUMUQD-DYVFJYSZSA-N 1 1 349.435 0.841 50 0 ECAAMO COCC[N@H+]1CC[C@H](CNc2nc3nonc3nc2N2CCCC2)C1 ZINC000019112006 436104869 /nfs/dbraw/zinc/10/48/69/436104869.db2.gz QPNMIKOJURNMQA-GFCCVEGCSA-N 1 1 347.423 0.993 50 0 ECAAMO O[C@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCC2)C1 ZINC000014948310 436075795 /nfs/dbraw/zinc/07/57/95/436075795.db2.gz AZPDGQIESIHJPF-NSHDSACASA-N 1 1 333.396 0.482 50 0 ECAAMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000075132311 436151590 /nfs/dbraw/zinc/15/15/90/436151590.db2.gz NDVRGQSTCCFTNJ-MRXNPFEDSA-N 1 1 347.463 0.865 50 0 ECAAMO CCCC[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000025510028 436152580 /nfs/dbraw/zinc/15/25/80/436152580.db2.gz ANMSNFPFNYCYRW-UHFFFAOYSA-N 1 1 345.451 0.744 50 0 ECAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000075134324 436153038 /nfs/dbraw/zinc/15/30/38/436153038.db2.gz LQWCZZMDVAVORS-GFCCVEGCSA-N 1 1 335.470 0.867 50 0 ECAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000075134324 436153042 /nfs/dbraw/zinc/15/30/42/436153042.db2.gz LQWCZZMDVAVORS-GFCCVEGCSA-N 1 1 335.470 0.867 50 0 ECAAMO CCN1CCN(C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)CC1 ZINC000021638140 436114201 /nfs/dbraw/zinc/11/42/01/436114201.db2.gz OCBJTYMZJZVOPK-UHFFFAOYSA-N 1 1 332.452 0.315 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000026162527 436159626 /nfs/dbraw/zinc/15/96/26/436159626.db2.gz YSKCROZEDXUYGZ-NSHDSACASA-N 1 1 337.376 0.399 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000026162527 436159630 /nfs/dbraw/zinc/15/96/30/436159630.db2.gz YSKCROZEDXUYGZ-NSHDSACASA-N 1 1 337.376 0.399 50 0 ECAAMO CN(CCO)Cc1nnc(C2CCN(C3CC[NH2+]CC3)CC2)n1C ZINC000077375013 436234295 /nfs/dbraw/zinc/23/42/95/436234295.db2.gz FJBHQDDLWUNGDN-UHFFFAOYSA-N 1 1 336.484 0.171 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cnccn1 ZINC000032333134 436238414 /nfs/dbraw/zinc/23/84/14/436238414.db2.gz NHDJWTUVKCKCNQ-UHFFFAOYSA-N 1 1 327.392 0.209 50 0 ECAAMO CNc1cc[nH+]c(NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)n1 ZINC000077486767 436239679 /nfs/dbraw/zinc/23/96/79/436239679.db2.gz RZSLDOVZUYGMJC-ZDUSSCGKSA-N 1 1 345.407 0.319 50 0 ECAAMO [NH3+]CCn1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccn2)nn1 ZINC000077485521 436241212 /nfs/dbraw/zinc/24/12/12/436241212.db2.gz GSVANVXPUUIACM-HNNXBMFYSA-N 1 1 338.375 0.143 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)Nc3cccnc3)C[C@@H]2C)CC1 ZINC000076055219 436188434 /nfs/dbraw/zinc/18/84/34/436188434.db2.gz UOUFKVGLQCWGMJ-YOEHRIQHSA-N 1 1 345.447 0.505 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)Nc3cccnc3)C[C@@H]2C)CC1 ZINC000076055219 436188437 /nfs/dbraw/zinc/18/84/37/436188437.db2.gz UOUFKVGLQCWGMJ-YOEHRIQHSA-N 1 1 345.447 0.505 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000032908387 436247553 /nfs/dbraw/zinc/24/75/53/436247553.db2.gz MYBQREYCDJWADO-UHFFFAOYSA-N 1 1 345.378 0.691 50 0 ECAAMO O=c1[nH]c(N2CC[NH+](CCO)CC2)nc2c1cnn2-c1ccccc1 ZINC000078804463 436278400 /nfs/dbraw/zinc/27/84/00/436278400.db2.gz MASKIOGBBIBDCZ-UHFFFAOYSA-N 1 1 340.387 0.223 50 0 ECAAMO CCCn1nnnc1CN1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000078896218 436282972 /nfs/dbraw/zinc/28/29/72/436282972.db2.gz ZUQOVGQFXLWCTE-GOEBONIOSA-N 1 1 349.483 0.458 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1n[nH]c(C)c1C ZINC000082106767 436362483 /nfs/dbraw/zinc/36/24/83/436362483.db2.gz LRRKJGOCHZOOTC-HIFRSBDPSA-N 1 1 335.452 0.756 50 0 ECAAMO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2=O)cc1 ZINC000082156990 436363594 /nfs/dbraw/zinc/36/35/94/436363594.db2.gz SIHCORLJMUIYQW-INIZCTEOSA-N 1 1 331.416 0.627 50 0 ECAAMO Cc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2=O)cc1 ZINC000082156990 436363600 /nfs/dbraw/zinc/36/36/00/436363600.db2.gz SIHCORLJMUIYQW-INIZCTEOSA-N 1 1 331.416 0.627 50 0 ECAAMO O=C(CC[C@@H]1NC(=O)NC1=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045918406 436381326 /nfs/dbraw/zinc/38/13/26/436381326.db2.gz LEPRSGPXWFNYRX-AWEZNQCLSA-N 1 1 330.388 0.149 50 0 ECAAMO COCCOCC(=O)NCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000046053020 436383434 /nfs/dbraw/zinc/38/34/34/436383434.db2.gz YANGJXYFUCKVQP-UHFFFAOYSA-N 1 1 335.448 0.896 50 0 ECAAMO CC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1[NH+]1CCOCC1 ZINC000084735913 436384131 /nfs/dbraw/zinc/38/41/31/436384131.db2.gz NTTOAHSAIXTJQM-ZIAGYGMSSA-N 1 1 344.419 0.236 50 0 ECAAMO CC(C)C(=O)Nc1cc(C(=O)NCCC[NH+]2CCOCC2)nn1C ZINC000046089059 436386082 /nfs/dbraw/zinc/38/60/82/436386082.db2.gz QVJNWAPQLIJXJQ-UHFFFAOYSA-N 1 1 337.424 0.467 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](CO)C2)CC1 ZINC000084789329 436386261 /nfs/dbraw/zinc/38/62/61/436386261.db2.gz OPSLFGCYYMRXJP-CVEARBPZSA-N 1 1 326.485 0.674 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000046140895 436387540 /nfs/dbraw/zinc/38/75/40/436387540.db2.gz GVMRQIBLJKDZBR-UHFFFAOYSA-N 1 1 339.461 0.692 50 0 ECAAMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089375366 436409072 /nfs/dbraw/zinc/40/90/72/436409072.db2.gz JUZMJZWZUNTOSE-HOTGVXAUSA-N 1 1 331.416 0.624 50 0 ECAAMO CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1nncn1C)[NH+]1CCOCC1 ZINC000044967758 436357392 /nfs/dbraw/zinc/35/73/92/436357392.db2.gz ZFIKIKPMFFPOLT-KBPBESRZSA-N 1 1 338.456 0.922 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+](C)CCCc2ccccc2)c(=O)n(C)c1=O ZINC000044977595 436358641 /nfs/dbraw/zinc/35/86/41/436358641.db2.gz LPDCCGOBIWCIIM-UHFFFAOYSA-N 1 1 344.415 0.414 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+](C)CCCc2ccccc2)c(=O)n(C)c1=O ZINC000044977595 436358643 /nfs/dbraw/zinc/35/86/43/436358643.db2.gz LPDCCGOBIWCIIM-UHFFFAOYSA-N 1 1 344.415 0.414 50 0 ECAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000091364402 436449346 /nfs/dbraw/zinc/44/93/46/436449346.db2.gz UNNAGMHHEGLARL-AWEZNQCLSA-N 1 1 326.360 0.988 50 0 ECAAMO COCCN1CC[C@@]2(CN(C(=O)NC(C)C)CC[N@H+]2C)CCC1=O ZINC000091616689 436454697 /nfs/dbraw/zinc/45/46/97/436454697.db2.gz MFVKLMHMCYRHEZ-QGZVFWFLSA-N 1 1 340.468 0.750 50 0 ECAAMO CN1CC[NH+](Cc2ccc(CNc3ccc4nnnn4n3)cc2)CC1 ZINC000047272509 436415018 /nfs/dbraw/zinc/41/50/18/436415018.db2.gz HFUOYHQYEXWQGB-UHFFFAOYSA-N 1 1 338.419 0.879 50 0 ECAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834797 436418216 /nfs/dbraw/zinc/41/82/16/436418216.db2.gz XDJZNWRCXVDQJU-DOTOQJQBSA-N 1 1 343.427 0.767 50 0 ECAAMO O=C(NCc1ccoc1)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000089885141 436419379 /nfs/dbraw/zinc/41/93/79/436419379.db2.gz CQOONXNOGLSVTH-HNNXBMFYSA-N 1 1 336.436 0.733 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CNC(=O)N2)C[C@H](C)O1 ZINC000089936708 436420892 /nfs/dbraw/zinc/42/08/92/436420892.db2.gz DQQAJLLSDPFPBT-ZENOOKHLSA-N 1 1 346.431 0.593 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CNC(=O)N2)C[C@H](C)O1 ZINC000089936708 436420895 /nfs/dbraw/zinc/42/08/95/436420895.db2.gz DQQAJLLSDPFPBT-ZENOOKHLSA-N 1 1 346.431 0.593 50 0 ECAAMO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000096138112 436516294 /nfs/dbraw/zinc/51/62/94/436516294.db2.gz VFRMKBZDDWGBAG-CLAHSXSESA-N 1 1 336.342 0.948 50 0 ECAAMO O=S1(=O)C=C[C@H]([NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095509949 436497504 /nfs/dbraw/zinc/49/75/04/436497504.db2.gz TYNRDZIDKUXOKT-NSHDSACASA-N 1 1 334.405 0.222 50 0 ECAAMO COCCc1noc(C[N@@H+]2CCC[C@@H](c3nccn3CC(N)=O)C2)n1 ZINC000095523268 436500296 /nfs/dbraw/zinc/50/02/96/436500296.db2.gz HDWQZLKDYCGOSZ-GFCCVEGCSA-N 1 1 348.407 0.320 50 0 ECAAMO COCCc1noc(C[N@H+]2CCC[C@@H](c3nccn3CC(N)=O)C2)n1 ZINC000095523268 436500300 /nfs/dbraw/zinc/50/03/00/436500300.db2.gz HDWQZLKDYCGOSZ-GFCCVEGCSA-N 1 1 348.407 0.320 50 0 ECAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000058264744 436622530 /nfs/dbraw/zinc/62/25/30/436622530.db2.gz VOIPKVDQUMTGNP-ZDUSSCGKSA-N 1 1 344.415 0.538 50 0 ECAAMO C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000106567312 436597957 /nfs/dbraw/zinc/59/79/57/436597957.db2.gz DLDMFUSBVOURSC-ZIAGYGMSSA-N 1 1 346.497 0.394 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1C ZINC000106868013 436603865 /nfs/dbraw/zinc/60/38/65/436603865.db2.gz FQSBITNOBKOSRG-GJZGRUSLSA-N 1 1 337.439 0.871 50 0 ECAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000106868949 436604012 /nfs/dbraw/zinc/60/40/12/436604012.db2.gz KJBJDOPXJSOAIB-GDBMZVCRSA-N 1 1 347.463 0.768 50 0 ECAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000107581475 436613218 /nfs/dbraw/zinc/61/32/18/436613218.db2.gz HYEMKDZZVGPWLL-MFKMUULPSA-N 1 1 334.342 0.723 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000107581475 436613222 /nfs/dbraw/zinc/61/32/22/436613222.db2.gz HYEMKDZZVGPWLL-MFKMUULPSA-N 1 1 334.342 0.723 50 0 ECAAMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000223345016 436704359 /nfs/dbraw/zinc/70/43/59/436704359.db2.gz SKTHQUANKRUYPF-ZDUSSCGKSA-N 1 1 334.401 0.211 50 0 ECAAMO CCc1[nH+]ccn1CCNC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000223130347 436705665 /nfs/dbraw/zinc/70/56/65/436705665.db2.gz RHMNBGYGMGVFKE-HNNXBMFYSA-N 1 1 325.376 0.838 50 0 ECAAMO CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)n1 ZINC000225399416 436710616 /nfs/dbraw/zinc/71/06/16/436710616.db2.gz GMWNRNKPWFDLLS-KGLIPLIRSA-N 1 1 333.436 0.864 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@@H](O)CN2CCOCC2)n1 ZINC000229516132 436715347 /nfs/dbraw/zinc/71/53/47/436715347.db2.gz XMHZFIFYPFBAMF-IRXDYDNUSA-N 1 1 337.468 0.443 50 0 ECAAMO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3ccnc3)C2)o1 ZINC000065469813 436663479 /nfs/dbraw/zinc/66/34/79/436663479.db2.gz HGSRHXIJTGBQKE-LBPRGKRZSA-N 1 1 332.360 0.826 50 0 ECAAMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@H](n3ccnc3)C2)o1 ZINC000065469813 436663483 /nfs/dbraw/zinc/66/34/83/436663483.db2.gz HGSRHXIJTGBQKE-LBPRGKRZSA-N 1 1 332.360 0.826 50 0 ECAAMO CC[N@@H+]1CCc2ncnc(N3CCN(CC(=O)N(C)C)CC3)c2C1 ZINC000065520594 436664335 /nfs/dbraw/zinc/66/43/35/436664335.db2.gz REWMELRYDQGSDZ-UHFFFAOYSA-N 1 1 332.452 0.065 50 0 ECAAMO CC[N@H+]1CCc2ncnc(N3CCN(CC(=O)N(C)C)CC3)c2C1 ZINC000065520594 436664340 /nfs/dbraw/zinc/66/43/40/436664340.db2.gz REWMELRYDQGSDZ-UHFFFAOYSA-N 1 1 332.452 0.065 50 0 ECAAMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000065592591 436668010 /nfs/dbraw/zinc/66/80/10/436668010.db2.gz WLDSLAAEACKJQH-LBPRGKRZSA-N 1 1 346.387 0.671 50 0 ECAAMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1COCC[NH2+]1 ZINC000238009872 436752414 /nfs/dbraw/zinc/75/24/14/436752414.db2.gz ACMYVRSMVMRVIK-GXSJLCMTSA-N 1 1 349.214 0.838 50 0 ECAAMO C[C@H](CNC(=O)N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000241720819 436759624 /nfs/dbraw/zinc/75/96/24/436759624.db2.gz QSMRKAMVFNOAAV-KGLIPLIRSA-N 1 1 331.482 0.935 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000241720820 436759790 /nfs/dbraw/zinc/75/97/90/436759790.db2.gz QSMRKAMVFNOAAV-UONOGXRCSA-N 1 1 331.482 0.935 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCCc1csc(N)n1 ZINC000230600837 436717070 /nfs/dbraw/zinc/71/70/70/436717070.db2.gz ZAZXWHJMDCAMRP-GFCCVEGCSA-N 1 1 339.465 0.373 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCc1csc(N)n1 ZINC000230600837 436717074 /nfs/dbraw/zinc/71/70/74/436717074.db2.gz ZAZXWHJMDCAMRP-GFCCVEGCSA-N 1 1 339.465 0.373 50 0 ECAAMO CC(C)(C)OC(=O)N1CCN(C[C@H](O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000252675765 436839856 /nfs/dbraw/zinc/83/98/56/436839856.db2.gz UZZUUDHALJLWOT-GJZGRUSLSA-N 1 1 343.468 0.357 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129391636 436827276 /nfs/dbraw/zinc/82/72/76/436827276.db2.gz IJRAFSXFCXZQOO-BZUAXINKSA-N 1 1 325.453 0.324 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129391636 436827279 /nfs/dbraw/zinc/82/72/79/436827279.db2.gz IJRAFSXFCXZQOO-BZUAXINKSA-N 1 1 325.453 0.324 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@@H]1C ZINC000252475025 436831623 /nfs/dbraw/zinc/83/16/23/436831623.db2.gz QUNMFISAKYIYQJ-GJZGRUSLSA-N 1 1 349.479 0.867 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C[C@@H]1C ZINC000252475025 436831627 /nfs/dbraw/zinc/83/16/27/436831627.db2.gz QUNMFISAKYIYQJ-GJZGRUSLSA-N 1 1 349.479 0.867 50 0 ECAAMO CCN(Cc1nc(COC)no1)C(=O)C[C@H](C)[NH+]1CCOCC1 ZINC000252483924 436833224 /nfs/dbraw/zinc/83/32/24/436833224.db2.gz FLBLVHIHUJIIHS-LBPRGKRZSA-N 1 1 326.397 0.675 50 0 ECAAMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000252496467 436833884 /nfs/dbraw/zinc/83/38/84/436833884.db2.gz PJCVVVSPUYUMFL-UONOGXRCSA-N 1 1 348.447 0.621 50 0 ECAAMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000252496467 436833888 /nfs/dbraw/zinc/83/38/88/436833888.db2.gz PJCVVVSPUYUMFL-UONOGXRCSA-N 1 1 348.447 0.621 50 0 ECAAMO O=C(C[C@H]1C[NH2+]CCO1)N1CCc2nc(-c3ccc(=O)[nH]c3)[nH]c2C1 ZINC000252509594 436836128 /nfs/dbraw/zinc/83/61/28/436836128.db2.gz YQWSOFOHOIFFDL-LBPRGKRZSA-N 1 1 343.387 0.441 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000252499147 436836674 /nfs/dbraw/zinc/83/66/74/436836674.db2.gz RWDBIKFQSLNJSY-HNNXBMFYSA-N 1 1 332.404 0.555 50 0 ECAAMO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000163529832 436923115 /nfs/dbraw/zinc/92/31/15/436923115.db2.gz YURFAMVUAFGSIH-HOTGVXAUSA-N 1 1 337.395 0.304 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]2C)CC1 ZINC000257366462 436877683 /nfs/dbraw/zinc/87/76/83/436877683.db2.gz ZMRCDSKEYRIUIT-JKIFEVAISA-N 1 1 336.480 0.386 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299755021 437111037 /nfs/dbraw/zinc/11/10/37/437111037.db2.gz BSPQWYXTBVPATI-CHWSQXEVSA-N 1 1 330.392 0.309 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc(F)c3)[C@H]2C1 ZINC000332771046 437250235 /nfs/dbraw/zinc/25/02/35/437250235.db2.gz RRUVODHLKTZLCO-LSDHHAIUSA-N 1 1 335.379 0.487 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC000426584996 438068759 /nfs/dbraw/zinc/06/87/59/438068759.db2.gz ZLBWVTGHGUSRSX-HZPDHXFCSA-N 1 1 337.420 0.769 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 ZINC000426584996 438068765 /nfs/dbraw/zinc/06/87/65/438068765.db2.gz ZLBWVTGHGUSRSX-HZPDHXFCSA-N 1 1 337.420 0.769 50 0 ECAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CSC(=O)N1 ZINC000369590045 438493239 /nfs/dbraw/zinc/49/32/39/438493239.db2.gz BMSMMRUOSGUORH-GFCCVEGCSA-N 1 1 327.450 0.963 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000408520592 438581437 /nfs/dbraw/zinc/58/14/37/438581437.db2.gz NHCFDJJHZOVMPP-CYBMUJFWSA-N 1 1 340.449 0.544 50 0 ECAAMO C[C@H]1NC(=O)N(CC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)C1=O ZINC000528642517 439359664 /nfs/dbraw/zinc/35/96/64/439359664.db2.gz WMPZCJJOOGYBDU-CHWSQXEVSA-N 1 1 325.409 0.180 50 0 ECAAMO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000585113881 439631455 /nfs/dbraw/zinc/63/14/55/439631455.db2.gz LWHNIGMKHAOVBT-ZIAGYGMSSA-N 1 1 344.477 0.523 50 0 ECAAMO NS(=O)(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c(F)c1 ZINC000585136852 439634650 /nfs/dbraw/zinc/63/46/50/439634650.db2.gz VVPSZAOIVDWQPR-UHFFFAOYSA-N 1 1 330.381 0.812 50 0 ECAAMO COCC[NH+]1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000069814974 518057505 /nfs/dbraw/zinc/05/75/05/518057505.db2.gz MYEIPPFSSIDMCX-MRXNPFEDSA-N 1 1 333.432 0.890 50 0 ECAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229526499 536837787 /nfs/dbraw/zinc/83/77/87/536837787.db2.gz FEQMKICUZJTBDD-GXTWGEPZSA-N 1 1 349.431 0.558 50 0 ECAAMO CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000084671354 545712883 /nfs/dbraw/zinc/71/28/83/545712883.db2.gz LNCSOOSXGWXDQG-AWEZNQCLSA-N 1 1 345.407 0.662 50 0 ECAAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)N1CCN(C)CC1 ZINC000670448040 548013292 /nfs/dbraw/zinc/01/32/92/548013292.db2.gz WACSTOCLZQSYEV-UHFFFAOYSA-N 1 1 329.470 0.478 50 0 ECAAMO CCCc1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)on1 ZINC000670446523 548013405 /nfs/dbraw/zinc/01/34/05/548013405.db2.gz JWYLUGDGPBLYOX-CYBMUJFWSA-N 1 1 343.449 0.752 50 0 ECAAMO CCCc1cc(CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)on1 ZINC000670446523 548013408 /nfs/dbraw/zinc/01/34/08/548013408.db2.gz JWYLUGDGPBLYOX-CYBMUJFWSA-N 1 1 343.449 0.752 50 0 ECAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccnnc1 ZINC000670459200 548015912 /nfs/dbraw/zinc/01/59/12/548015912.db2.gz DBYUHAWBEYZIDH-KGXSXCIVSA-N 1 1 349.438 0.774 50 0 ECAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000225240307 564084310 /nfs/dbraw/zinc/08/43/10/564084310.db2.gz AHEJVYVJRGHVLO-QWHCGFSZSA-N 1 1 333.498 0.941 50 0 ECAAMO O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000888096963 586349970 /nfs/dbraw/zinc/34/99/70/586349970.db2.gz XNBJXOZOESHUKT-JKSUJKDBSA-N 1 1 331.416 0.533 50 0 ECAAMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@@](O)(Cn3ccnn3)C2)C1=O ZINC000585081578 586779199 /nfs/dbraw/zinc/77/91/99/586779199.db2.gz RRWWSTVCYWQSCZ-PBHICJAKSA-N 1 1 335.452 0.752 50 0 ECAAMO O=C1NCC[N@H+]2CC3(C[C@H]12)CCN(S(=O)(=O)c1ccccc1)CC3 ZINC000169787711 609746607 /nfs/dbraw/zinc/74/66/07/609746607.db2.gz JHOXDDXWMIHKMH-OAHLLOKOSA-N 1 1 349.456 0.662 50 0 ECAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)c1cnn(C)c1)CC2 ZINC000169789516 609746610 /nfs/dbraw/zinc/74/66/10/609746610.db2.gz WQEOKJHURIGTRZ-OAHLLOKOSA-N 1 1 336.436 0.213 50 0 ECAAMO CN1C(=O)C(CC(=O)NCCC[NH+]2CCOCC2)=C2CCCC[C@@H]21 ZINC000581793663 738441979 /nfs/dbraw/zinc/44/19/79/738441979.db2.gz OXWKYHODSYYMIH-INIZCTEOSA-N 1 1 335.448 0.926 50 0 ECAAMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)N3CCCC3)C2)no1 ZINC000675020070 741337555 /nfs/dbraw/zinc/33/75/55/741337555.db2.gz ATPMKEYCJRMUOR-GUYCJALGSA-N 1 1 332.404 0.609 50 0 ECAAMO Cc1nccn1CCNC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426521575 753152311 /nfs/dbraw/zinc/15/23/11/753152311.db2.gz YGTOBJVVDWKNEY-INIZCTEOSA-N 1 1 335.452 0.680 50 0 ECAAMO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H](C(N)=O)C1 ZINC000052961403 214157493 /nfs/dbraw/zinc/15/74/93/214157493.db2.gz AAERKQVRIBOKMO-HZSPNIEDSA-N 1 1 347.415 0.481 50 0 ECAAMO CCOCC[N@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@H](CO)C1 ZINC000097696242 219048435 /nfs/dbraw/zinc/04/84/35/219048435.db2.gz XBNAICFFBPJFJQ-HNNXBMFYSA-N 1 1 349.479 0.996 50 0 ECAAMO CC(C)(C)c1nnnn1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000054452596 214239112 /nfs/dbraw/zinc/23/91/12/214239112.db2.gz PRYMQLDSYLWZIS-UHFFFAOYSA-N 1 1 336.440 0.499 50 0 ECAAMO C[NH+](C)[C@@H](C(=O)N1CCC(O)(CO)CC1)c1ccc2c(c1)OCO2 ZINC000067974352 282166334 /nfs/dbraw/zinc/16/63/34/282166334.db2.gz YQMVHWNTLWBAGG-OAHLLOKOSA-N 1 1 336.388 0.364 50 0 ECAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000178139291 530061831 /nfs/dbraw/zinc/06/18/31/530061831.db2.gz DKFMDDHZWQFQNK-AWEZNQCLSA-N 1 1 332.404 0.931 50 0 ECAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000066185699 215021062 /nfs/dbraw/zinc/02/10/62/215021062.db2.gz FZILHRIHOJYUEN-LBPRGKRZSA-N 1 1 342.465 0.864 50 0 ECAAMO CCCC(=O)N1C[C@H]2[C@H](C[N@H+]3CCCN(C(=O)COC)CC3)[C@H]2C1 ZINC000102237728 219192097 /nfs/dbraw/zinc/19/20/97/219192097.db2.gz HMBZZOUCQSHTAE-PHZGNYQRSA-N 1 1 337.464 0.672 50 0 ECAAMO O=c1[nH]nc2c(N3CC[C@@H]([NH2+]Cc4ccccc4F)C3)nccn12 ZINC000067350116 215136138 /nfs/dbraw/zinc/13/61/38/215136138.db2.gz COISODANINFQQM-GFCCVEGCSA-N 1 1 328.351 0.925 50 0 ECAAMO C[N@@H+](CCO)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000067855629 215233691 /nfs/dbraw/zinc/23/36/91/215233691.db2.gz YMHSGZDTRDVQGU-MRXNPFEDSA-N 1 1 328.359 0.742 50 0 ECAAMO C[NH2+]CCNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 ZINC000067973734 215263796 /nfs/dbraw/zinc/26/37/96/215263796.db2.gz KJLPKZWDGUFDGI-UHFFFAOYSA-N 1 1 347.463 0.650 50 0 ECAAMO COCC[NH+]1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000069628068 215507583 /nfs/dbraw/zinc/50/75/83/215507583.db2.gz OKKXHZOGCQTLKM-CQSZACIVSA-N 1 1 346.431 0.624 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[NH2+]1 ZINC000187153791 236131787 /nfs/dbraw/zinc/13/17/87/236131787.db2.gz OUGHKSZZTUUWEJ-LLVKDONJSA-N 1 1 332.447 0.214 50 0 ECAAMO NC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091434279 283306240 /nfs/dbraw/zinc/30/62/40/283306240.db2.gz VQPWXACPRSUXLI-DZGCQCFKSA-N 1 1 334.395 0.917 50 0 ECAAMO CN(CC(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1)Cc1cccnc1 ZINC000072167399 216058139 /nfs/dbraw/zinc/05/81/39/216058139.db2.gz GVJOOAGBQLLOAG-SFHVURJKSA-N 1 1 346.475 0.961 50 0 ECAAMO CCc1cc(N2CC[NH2+]C[C@@H](CC(=O)[O-])C2)nc(N2CCOCC2)[nH+]1 ZINC000072167721 216059615 /nfs/dbraw/zinc/05/96/15/216059615.db2.gz VYLVRSLDAPQXRK-CYBMUJFWSA-N 1 1 349.435 0.376 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000072268872 216089036 /nfs/dbraw/zinc/08/90/36/216089036.db2.gz NIVARRJGYCKXIJ-AWEZNQCLSA-N 1 1 335.404 0.079 50 0 ECAAMO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302404 216141259 /nfs/dbraw/zinc/14/12/59/216141259.db2.gz NTXDZYXALUZRQU-GFCCVEGCSA-N 1 1 346.456 0.947 50 0 ECAAMO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000072302404 216141261 /nfs/dbraw/zinc/14/12/61/216141261.db2.gz NTXDZYXALUZRQU-GFCCVEGCSA-N 1 1 346.456 0.947 50 0 ECAAMO O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000072424242 216213584 /nfs/dbraw/zinc/21/35/84/216213584.db2.gz VHSUWWVDCJGGPW-HNNXBMFYSA-N 1 1 348.447 0.767 50 0 ECAAMO Cc1nc(NCCNC(=O)c2cnccn2)cc(N2CCOCC2)[nH+]1 ZINC000072442393 216235187 /nfs/dbraw/zinc/23/51/87/216235187.db2.gz WDYIESKLIZVMHL-UHFFFAOYSA-N 1 1 343.391 0.254 50 0 ECAAMO Nc1ccnc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000131755642 223266740 /nfs/dbraw/zinc/26/67/40/223266740.db2.gz OHOMJQNRQBOIIV-HNNXBMFYSA-N 1 1 341.415 0.966 50 0 ECAAMO Nc1ccnc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000131755642 223266743 /nfs/dbraw/zinc/26/67/43/223266743.db2.gz OHOMJQNRQBOIIV-HNNXBMFYSA-N 1 1 341.415 0.966 50 0 ECAAMO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000023751682 212394770 /nfs/dbraw/zinc/39/47/70/212394770.db2.gz JZYNZZZQHOGKQU-UHFFFAOYSA-N 1 1 325.434 0.634 50 0 ECAAMO COc1cccc(OC)c1OC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000022465730 212299267 /nfs/dbraw/zinc/29/92/67/212299267.db2.gz XZWRNMQMYCXCJL-AWEZNQCLSA-N 1 1 340.420 0.053 50 0 ECAAMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(-n2cnnn2)cc1O ZINC000215100365 241104314 /nfs/dbraw/zinc/10/43/14/241104314.db2.gz JVCVZVNCPXUSSY-UHFFFAOYSA-N 1 1 327.348 0.693 50 0 ECAAMO C[C@@H](CNC(=O)N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC000241720818 242998465 /nfs/dbraw/zinc/99/84/65/242998465.db2.gz QSMRKAMVFNOAAV-KBPBESRZSA-N 1 1 331.482 0.935 50 0 ECAAMO Cn1c2ccccc2cc(C[N@H+]2CCN3CCNC(=O)[C@@H]3C2)c1=O ZINC000244774113 243079527 /nfs/dbraw/zinc/07/95/27/243079527.db2.gz POFQRTCYWVTTKO-INIZCTEOSA-N 1 1 326.400 0.155 50 0 ECAAMO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000020033240 212095501 /nfs/dbraw/zinc/09/55/01/212095501.db2.gz ZMRZSULYASGVDU-UHFFFAOYSA-N 1 1 345.443 0.970 50 0 ECAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)no1 ZINC000078891608 217140691 /nfs/dbraw/zinc/14/06/91/217140691.db2.gz QEDWIIHBGYYXMF-GFCCVEGCSA-N 1 1 345.469 0.248 50 0 ECAAMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)no1 ZINC000078891608 217140695 /nfs/dbraw/zinc/14/06/95/217140695.db2.gz QEDWIIHBGYYXMF-GFCCVEGCSA-N 1 1 345.469 0.248 50 0 ECAAMO CCc1nc(CN(C)[C@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)no1 ZINC000078891500 217141287 /nfs/dbraw/zinc/14/12/87/217141287.db2.gz ZJTWNIJKCGYPHP-LBPRGKRZSA-N 1 1 345.469 0.077 50 0 ECAAMO CCc1nc(CN(C)[C@H]2CC[N@@H+](CCNS(=O)(=O)CC)C2)no1 ZINC000078891500 217141290 /nfs/dbraw/zinc/14/12/90/217141290.db2.gz ZJTWNIJKCGYPHP-LBPRGKRZSA-N 1 1 345.469 0.077 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n1C ZINC000091410074 218000982 /nfs/dbraw/zinc/00/09/82/218000982.db2.gz UURVQMYYQWRCMK-IAGOWNOFSA-N 1 1 348.491 0.652 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1C ZINC000091410074 218000985 /nfs/dbraw/zinc/00/09/85/218000985.db2.gz UURVQMYYQWRCMK-IAGOWNOFSA-N 1 1 348.491 0.652 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1C ZINC000091410074 218000988 /nfs/dbraw/zinc/00/09/88/218000988.db2.gz UURVQMYYQWRCMK-IAGOWNOFSA-N 1 1 348.491 0.652 50 0 ECAAMO C[N@H+]1CCN(C(=O)C2(Cn3cccn3)CC2)C[C@]12CCNC(=O)CC2 ZINC000091604330 218031274 /nfs/dbraw/zinc/03/12/74/218031274.db2.gz HIPVJARYGZVOKV-SFHVURJKSA-N 1 1 345.447 0.476 50 0 ECAAMO O=C(CCc1cccnc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091691014 218047894 /nfs/dbraw/zinc/04/78/94/218047894.db2.gz CJBGFNBDFDQNIL-IAGOWNOFSA-N 1 1 333.432 0.413 50 0 ECAAMO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1[nH]ncc1Cl)CC2 ZINC000091725632 218054952 /nfs/dbraw/zinc/05/49/52/218054952.db2.gz DYPNQPZPDDEMPL-MNOVXSKESA-N 1 1 328.800 0.394 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(Nc3ccccn3)CC2)C1 ZINC000091770366 218063405 /nfs/dbraw/zinc/06/34/05/218063405.db2.gz ZRUMSFHAOAJKPK-CQSZACIVSA-N 1 1 345.447 0.682 50 0 ECAAMO Cn1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)ccc1=O ZINC000091859541 218078505 /nfs/dbraw/zinc/07/85/05/218078505.db2.gz WWMMDZVMNZIJEQ-SFHVURJKSA-N 1 1 346.431 0.154 50 0 ECAAMO C[N@H+]1CCN(C(=O)c2cnc(C3CC3)nc2)C[C@@]12CCNC(=O)CC2 ZINC000091877234 218082762 /nfs/dbraw/zinc/08/27/62/218082762.db2.gz UPKYBKMAWNRSAE-GOSISDBHSA-N 1 1 343.431 0.781 50 0 ECAAMO Cc1ncc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000092062480 218113316 /nfs/dbraw/zinc/11/33/16/218113316.db2.gz WMKRCIJASSTGOZ-ZIAGYGMSSA-N 1 1 338.477 0.379 50 0 ECAAMO C[NH+]1CCN(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000009985373 211139294 /nfs/dbraw/zinc/13/92/94/211139294.db2.gz IEUZJBOKLZNOHR-UHFFFAOYSA-N 1 1 346.309 0.802 50 0 ECAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)CN1CCN(c2ncccn2)CC1 ZINC000095360008 218293057 /nfs/dbraw/zinc/29/30/57/218293057.db2.gz CYMZZYCSDNKGNW-OAHLLOKOSA-N 1 1 332.452 0.199 50 0 ECAAMO Cn1cccc1C(=O)C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095384986 218316846 /nfs/dbraw/zinc/31/68/46/218316846.db2.gz GENIYIZAUGWSBF-SFHVURJKSA-N 1 1 346.431 0.363 50 0 ECAAMO Cn1cccc1C(=O)C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095384986 218316848 /nfs/dbraw/zinc/31/68/48/218316848.db2.gz GENIYIZAUGWSBF-SFHVURJKSA-N 1 1 346.431 0.363 50 0 ECAAMO Cc1nc2cc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2[nH]1 ZINC000097600984 219039351 /nfs/dbraw/zinc/03/93/51/219039351.db2.gz CSIYFHKQPKNGQP-CYBMUJFWSA-N 1 1 329.404 0.798 50 0 ECAAMO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299749074 258007673 /nfs/dbraw/zinc/00/76/73/258007673.db2.gz JCZPCQOEFBJNJG-MRXNPFEDSA-N 1 1 349.431 0.362 50 0 ECAAMO C[C@H](C(=O)NCc1cc(-c2cccnc2)no1)N1CC[NH+](C)CC1 ZINC000299770891 258083828 /nfs/dbraw/zinc/08/38/28/258083828.db2.gz NUDOXPHZLQDGEG-CYBMUJFWSA-N 1 1 329.404 0.989 50 0 ECAAMO OCCNc1nc(N2CCc3n[nH]cc3C2)cc([C@H]2CCOC2)[nH+]1 ZINC000299772690 258084557 /nfs/dbraw/zinc/08/45/57/258084557.db2.gz AJIRGISJBLITBX-NSHDSACASA-N 1 1 330.392 0.671 50 0 ECAAMO Cc1c(Cl)c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)nn1C ZINC000299776994 258087412 /nfs/dbraw/zinc/08/74/12/258087412.db2.gz GPAWJZHXYHTIDV-SNVBAGLBSA-N 1 1 327.816 0.309 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)CCc3cccc(F)c3)C[C@@H]2O)CC1 ZINC000299758278 258075896 /nfs/dbraw/zinc/07/58/96/258075896.db2.gz NUKZKRLAEHGIDR-IRXDYDNUSA-N 1 1 335.423 0.577 50 0 ECAAMO Cn1ccc2ccc(C(=O)N3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc21 ZINC000299757867 258075907 /nfs/dbraw/zinc/07/59/07/258075907.db2.gz KUNLZOHVQIVWLV-ROUUACIJSA-N 1 1 342.443 0.611 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000241946761 286171517 /nfs/dbraw/zinc/17/15/17/286171517.db2.gz UNRWBBQGECWYFY-PMPSAXMXSA-N 1 1 336.436 0.065 50 0 ECAAMO COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091845902 286181484 /nfs/dbraw/zinc/18/14/84/286181484.db2.gz VPHAPESGZCJTJT-HUUCEWRRSA-N 1 1 336.432 0.608 50 0 ECAAMO Cc1ccccc1CN(C)C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261646870 165220347 /nfs/dbraw/zinc/22/03/47/165220347.db2.gz JATAZRHGTVZRED-KRWDZBQOSA-N 1 1 346.475 0.740 50 0 ECAAMO C[C@@H]1CN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC[NH2+]1 ZINC000188387460 263161746 /nfs/dbraw/zinc/16/17/46/263161746.db2.gz ZYIRMYLLVORMFC-LLVKDONJSA-N 1 1 328.372 0.491 50 0 ECAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC000285727787 264336658 /nfs/dbraw/zinc/33/66/58/264336658.db2.gz KDOJLOSAWNVXCG-JKSUJKDBSA-N 1 1 327.388 0.812 50 0 ECAAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000093415730 274116645 /nfs/dbraw/zinc/11/66/45/274116645.db2.gz BXEIWGZUDVTPRM-OAHLLOKOSA-N 1 1 333.388 0.258 50 0 ECAAMO Cn1c(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)cc2ccccc21 ZINC000067773712 274886126 /nfs/dbraw/zinc/88/61/26/274886126.db2.gz PUWGIPTWINPXCH-UHFFFAOYSA-N 1 1 326.400 0.873 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCCN(C(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106771447 280144838 /nfs/dbraw/zinc/14/48/38/280144838.db2.gz XEXIPXZFUHISOR-QLFBSQMISA-N 1 1 340.468 0.733 50 0 ECAAMO CC(C)[C@H](C(=O)N1CCCN(C(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106771447 280144839 /nfs/dbraw/zinc/14/48/39/280144839.db2.gz XEXIPXZFUHISOR-QLFBSQMISA-N 1 1 340.468 0.733 50 0 ECAAMO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089570263 280396671 /nfs/dbraw/zinc/39/66/71/280396671.db2.gz XQHUBIKTSAQBOR-LBPRGKRZSA-N 1 1 325.434 0.727 50 0 ECAAMO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089570263 280396672 /nfs/dbraw/zinc/39/66/72/280396672.db2.gz XQHUBIKTSAQBOR-LBPRGKRZSA-N 1 1 325.434 0.727 50 0 ECAAMO O=S(=O)(CC[N@@H+]1CCC[C@@H](OCCO)C1)Oc1ccccc1 ZINC000070018900 435984057 /nfs/dbraw/zinc/98/40/57/435984057.db2.gz SHQSHMOKVXBCKO-OAHLLOKOSA-N 1 1 329.418 0.869 50 0 ECAAMO O=C(CCN1CCCC1=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000070020901 435984199 /nfs/dbraw/zinc/98/41/99/435984199.db2.gz GBSSSXQPFQUNQR-KRWDZBQOSA-N 1 1 345.443 0.877 50 0 ECAAMO Cn1ccnc1CN1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000069657793 435957475 /nfs/dbraw/zinc/95/74/75/435957475.db2.gz QWIQRQYWKZUIOZ-OAHLLOKOSA-N 1 1 334.420 0.708 50 0 ECAAMO O=C(Cn1nnc2ccccc2c1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839928 436018414 /nfs/dbraw/zinc/01/84/14/436018414.db2.gz QKGDZGOMWHUREJ-CYBMUJFWSA-N 1 1 327.388 0.488 50 0 ECAAMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1cccs1 ZINC000071871136 436021873 /nfs/dbraw/zinc/02/18/73/436021873.db2.gz ZHNVHXIDBZMNMN-JSGCOSHPSA-N 1 1 339.461 0.840 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000071871425 436022181 /nfs/dbraw/zinc/02/21/81/436022181.db2.gz ZQJXAPDUKHLULZ-OAHLLOKOSA-N 1 1 333.432 0.662 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000071877403 436025485 /nfs/dbraw/zinc/02/54/85/436025485.db2.gz BIGYIDZQBDSNDL-DLBZAZTESA-N 1 1 349.475 0.877 50 0 ECAAMO COc1c(C)c[nH+]c(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000071905455 436026383 /nfs/dbraw/zinc/02/63/83/436026383.db2.gz HNBLGEDNKYXKBQ-UHFFFAOYSA-N 1 1 329.360 0.502 50 0 ECAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000071898102 436028862 /nfs/dbraw/zinc/02/88/62/436028862.db2.gz AHEJVYVJRGHVLO-OLZOCXBDSA-N 1 1 333.498 0.941 50 0 ECAAMO CCCNC(=O)C[NH+]1CCC(Nc2ccc3nnc(C)n3n2)CC1 ZINC000071964337 436033959 /nfs/dbraw/zinc/03/39/59/436033959.db2.gz GCJXVARPBSEUKG-UHFFFAOYSA-N 1 1 331.424 0.835 50 0 ECAAMO C[C@@]1([C@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)NC(=O)NC1=O ZINC000072300816 436043592 /nfs/dbraw/zinc/04/35/92/436043592.db2.gz MVSOKDARFGDPEC-UGSOOPFHSA-N 1 1 348.447 0.601 50 0 ECAAMO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N@H+](CC3CC3)C[C@H]12 ZINC000014750115 436076822 /nfs/dbraw/zinc/07/68/22/436076822.db2.gz ACQCGFPOPJZQNX-JKSUJKDBSA-N 1 1 329.400 0.356 50 0 ECAAMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024675617 436137613 /nfs/dbraw/zinc/13/76/13/436137613.db2.gz KQFLONGPYFZQKA-UHFFFAOYSA-N 1 1 343.431 0.519 50 0 ECAAMO CN(C)C(=O)C[N@H+]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024675617 436137616 /nfs/dbraw/zinc/13/76/16/436137616.db2.gz KQFLONGPYFZQKA-UHFFFAOYSA-N 1 1 343.431 0.519 50 0 ECAAMO Cc1ccccc1[C@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)NC(N)=O ZINC000075131215 436152178 /nfs/dbraw/zinc/15/21/78/436152178.db2.gz LBRGYHUJEBRGPB-ZBFHGGJFSA-N 1 1 348.447 0.620 50 0 ECAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000027342272 436174279 /nfs/dbraw/zinc/17/42/79/436174279.db2.gz SSKCLFAZIWBALN-UHFFFAOYSA-N 1 1 334.424 0.031 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)no1 ZINC000076047315 436186547 /nfs/dbraw/zinc/18/65/47/436186547.db2.gz SFVGKLOCNQLZEQ-AWEZNQCLSA-N 1 1 337.424 0.133 50 0 ECAAMO Nc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077522985 436240738 /nfs/dbraw/zinc/24/07/38/436240738.db2.gz VHWXRHJWRXDGDF-UKRRQHHQSA-N 1 1 327.388 0.424 50 0 ECAAMO Nc1ncccc1C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077522985 436240743 /nfs/dbraw/zinc/24/07/43/436240743.db2.gz VHWXRHJWRXDGDF-UKRRQHHQSA-N 1 1 327.388 0.424 50 0 ECAAMO CC(C)n1nc2c(cc1=O)C[N@H+](CCC(=O)N1CCOCC1)CC2 ZINC000076065009 436191589 /nfs/dbraw/zinc/19/15/89/436191589.db2.gz XWDBAQUGLFHJEQ-UHFFFAOYSA-N 1 1 334.420 0.431 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000078899609 436282552 /nfs/dbraw/zinc/28/25/52/436282552.db2.gz KUCIZNNXZNBPQW-KBPBESRZSA-N 1 1 337.424 0.179 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)no1 ZINC000078899609 436282556 /nfs/dbraw/zinc/28/25/56/436282556.db2.gz KUCIZNNXZNBPQW-KBPBESRZSA-N 1 1 337.424 0.179 50 0 ECAAMO Cn1c(=O)cc(CN2CCC[N@@H+](Cc3cccs3)CC2)n(C)c1=O ZINC000044917978 436354092 /nfs/dbraw/zinc/35/40/92/436354092.db2.gz XDKGWKWAHSXQBH-UHFFFAOYSA-N 1 1 348.472 0.853 50 0 ECAAMO COc1cccc([C@@H](CNS(=O)(=O)N2CCOCC2)[NH+](C)C)c1 ZINC000044896186 436352141 /nfs/dbraw/zinc/35/21/41/436352141.db2.gz GBPDVSMGDBZEDM-OAHLLOKOSA-N 1 1 343.449 0.465 50 0 ECAAMO CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@H]3COCCN3)cc2C1 ZINC000082120317 436362041 /nfs/dbraw/zinc/36/20/41/436362041.db2.gz CQLYPWLEMJAKRH-HNNXBMFYSA-N 1 1 335.452 0.349 50 0 ECAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@H]3COCCN3)cc2C1 ZINC000082120317 436362044 /nfs/dbraw/zinc/36/20/44/436362044.db2.gz CQLYPWLEMJAKRH-HNNXBMFYSA-N 1 1 335.452 0.349 50 0 ECAAMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)C1=O ZINC000084597388 436381898 /nfs/dbraw/zinc/38/18/98/436381898.db2.gz FBJUQYKUNDHGHU-KRWDZBQOSA-N 1 1 330.388 0.690 50 0 ECAAMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1C(N)=O ZINC000046036603 436383587 /nfs/dbraw/zinc/38/35/87/436383587.db2.gz AITVZWXQGUCTEZ-LSDHHAIUSA-N 1 1 337.445 0.999 50 0 ECAAMO NC(=O)C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091288734 436449444 /nfs/dbraw/zinc/44/94/44/436449444.db2.gz ZZWCLTHENAFWMT-UHFFFAOYSA-N 1 1 329.408 0.523 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1 ZINC000048314711 436449519 /nfs/dbraw/zinc/44/95/19/436449519.db2.gz XUWQZGZZEHUBDO-UHFFFAOYSA-N 1 1 337.424 0.643 50 0 ECAAMO O=C(CCn1cncn1)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091770647 436459455 /nfs/dbraw/zinc/45/94/55/436459455.db2.gz PWUQVPODDOOFPS-CVEARBPZSA-N 1 1 333.436 0.674 50 0 ECAAMO CNC(=O)COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000089938476 436420901 /nfs/dbraw/zinc/42/09/01/436420901.db2.gz DFBHGFTZBSEYSR-LBPRGKRZSA-N 1 1 335.404 0.596 50 0 ECAAMO CNC(=O)COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000089938476 436420904 /nfs/dbraw/zinc/42/09/04/436420904.db2.gz DFBHGFTZBSEYSR-LBPRGKRZSA-N 1 1 335.404 0.596 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000089938918 436421006 /nfs/dbraw/zinc/42/10/06/436421006.db2.gz QRRHWBZNPSGBFX-HNNXBMFYSA-N 1 1 332.448 0.527 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000089938916 436421811 /nfs/dbraw/zinc/42/18/11/436421811.db2.gz QRRHWBZNPSGBFX-OAHLLOKOSA-N 1 1 332.448 0.527 50 0 ECAAMO Cc1cc(C)n(CC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000047636074 436427394 /nfs/dbraw/zinc/42/73/94/436427394.db2.gz MMEFEVPTVNUGIC-HZPDHXFCSA-N 1 1 336.436 0.353 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCc2cnn(C)c2)C[N@@H+]1C ZINC000096151513 436517071 /nfs/dbraw/zinc/51/70/71/436517071.db2.gz PWEKYPJQQAGRQV-CABCVRRESA-N 1 1 335.452 0.410 50 0 ECAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCc2cnn(C)c2)C[N@H+]1C ZINC000096151513 436517076 /nfs/dbraw/zinc/51/70/76/436517076.db2.gz PWEKYPJQQAGRQV-CABCVRRESA-N 1 1 335.452 0.410 50 0 ECAAMO CN(Cc1nnc(C2CC2)o1)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000095402386 436494259 /nfs/dbraw/zinc/49/42/59/436494259.db2.gz GDNSFCGSCFHIOF-CABCVRRESA-N 1 1 346.435 0.711 50 0 ECAAMO c1nc2ncnc(N3CCC([NH2+]CCSc4cn[nH]n4)CC3)c2[nH]1 ZINC000095510610 436498055 /nfs/dbraw/zinc/49/80/55/436498055.db2.gz UDCLWSPUMKDILO-UHFFFAOYSA-N 1 1 345.436 0.822 50 0 ECAAMO NC(=O)c1noc(CNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000095503405 436498808 /nfs/dbraw/zinc/49/88/08/436498808.db2.gz QOZZYQWDNPKWLG-NWDGAFQWSA-N 1 1 335.408 0.829 50 0 ECAAMO Cc1cn(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c(=O)[nH]c1=O ZINC000095528822 436499790 /nfs/dbraw/zinc/49/97/90/436499790.db2.gz SWPGRMIMHPLDGO-HUUCEWRRSA-N 1 1 346.431 0.178 50 0 ECAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)nc1 ZINC000097200792 436542223 /nfs/dbraw/zinc/54/22/23/436542223.db2.gz VAVFDHIEQRGHKU-CQSZACIVSA-N 1 1 343.431 0.721 50 0 ECAAMO CN(C)c1ncnc2c1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000097200416 436542695 /nfs/dbraw/zinc/54/26/95/436542695.db2.gz WFWOAGFWRHIQRC-KBPBESRZSA-N 1 1 336.436 0.457 50 0 ECAAMO CN(C)c1ncnc2c1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000097200416 436542702 /nfs/dbraw/zinc/54/27/02/436542702.db2.gz WFWOAGFWRHIQRC-KBPBESRZSA-N 1 1 336.436 0.457 50 0 ECAAMO COCC[N@H+]1CCC2(CCN(C(=O)CSC)CC2)[C@@H](CO)C1 ZINC000097773051 436543656 /nfs/dbraw/zinc/54/36/56/436543656.db2.gz CRSGLNIDYJIDQN-CQSZACIVSA-N 1 1 330.494 0.919 50 0 ECAAMO CCOc1ccc2nc(C(=O)NCCC[NH+]3CCOCC3)cn2n1 ZINC000097938813 436543847 /nfs/dbraw/zinc/54/38/47/436543847.db2.gz PMBGNKTVCNWJMD-UHFFFAOYSA-N 1 1 333.392 0.580 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000106110781 436589498 /nfs/dbraw/zinc/58/94/98/436589498.db2.gz XGMFMESTILZGDU-UBHSHLNASA-N 1 1 335.404 0.390 50 0 ECAAMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000106110781 436589501 /nfs/dbraw/zinc/58/95/01/436589501.db2.gz XGMFMESTILZGDU-UBHSHLNASA-N 1 1 335.404 0.390 50 0 ECAAMO Cc1nc(CN2CCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)CC2)no1 ZINC000106907733 436604652 /nfs/dbraw/zinc/60/46/52/436604652.db2.gz GXQZKXHMTGMHPL-ZDUSSCGKSA-N 1 1 337.424 0.133 50 0 ECAAMO Cc1nc(CN2CCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)CC2)no1 ZINC000106907733 436604655 /nfs/dbraw/zinc/60/46/55/436604655.db2.gz GXQZKXHMTGMHPL-ZDUSSCGKSA-N 1 1 337.424 0.133 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCCN(Cc2cccnc2)CC1 ZINC000107015011 436606510 /nfs/dbraw/zinc/60/65/10/436606510.db2.gz FGYXRUDKNKWOKQ-QGZVFWFLSA-N 1 1 332.448 0.573 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000107354872 436612355 /nfs/dbraw/zinc/61/23/55/436612355.db2.gz OFLDLVBBGMBCMN-CRAIPNDOSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@@H]2CN(CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000107354872 436612356 /nfs/dbraw/zinc/61/23/56/436612356.db2.gz OFLDLVBBGMBCMN-CRAIPNDOSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000107354872 436612358 /nfs/dbraw/zinc/61/23/58/436612358.db2.gz OFLDLVBBGMBCMN-CRAIPNDOSA-N 1 1 333.480 0.837 50 0 ECAAMO C[C@H]1C[N@H+](C)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000107581480 436612804 /nfs/dbraw/zinc/61/28/04/436612804.db2.gz HYEMKDZZVGPWLL-GWCFXTLKSA-N 1 1 334.342 0.723 50 0 ECAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000107581480 436612808 /nfs/dbraw/zinc/61/28/08/436612808.db2.gz HYEMKDZZVGPWLL-GWCFXTLKSA-N 1 1 334.342 0.723 50 0 ECAAMO CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000061721890 436638324 /nfs/dbraw/zinc/63/83/24/436638324.db2.gz SHZMQLMDRKIMBA-HNNXBMFYSA-N 1 1 346.431 0.704 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)NCc2ccccc2-n2cncn2)CC1 ZINC000065409076 436659749 /nfs/dbraw/zinc/65/97/49/436659749.db2.gz CKLXOEVEBURRPE-UHFFFAOYSA-N 1 1 328.420 0.521 50 0 ECAAMO COc1ccc(CCNC(=O)N2CCN3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC000065405209 436660034 /nfs/dbraw/zinc/66/00/34/436660034.db2.gz DKSXWXOXGGJCQM-INIZCTEOSA-N 1 1 332.448 0.879 50 0 ECAAMO CC(C)(CN1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000215678015 436696248 /nfs/dbraw/zinc/69/62/48/436696248.db2.gz OCDQHTQZDQKEDF-UHFFFAOYSA-N 1 1 347.463 0.413 50 0 ECAAMO C[C@@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000220061207 436697866 /nfs/dbraw/zinc/69/78/66/436697866.db2.gz NTDCVIVPZNZMMM-NSHDSACASA-N 1 1 328.372 0.126 50 0 ECAAMO C[C@@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000220061207 436697868 /nfs/dbraw/zinc/69/78/68/436697868.db2.gz NTDCVIVPZNZMMM-NSHDSACASA-N 1 1 328.372 0.126 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)C1(Cn3ccnc3)CC1)CC2 ZINC000222649932 436702893 /nfs/dbraw/zinc/70/28/93/436702893.db2.gz SYTBHUOVIOAQJP-UHFFFAOYSA-N 1 1 345.447 0.476 50 0 ECAAMO C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000225650322 436712732 /nfs/dbraw/zinc/71/27/32/436712732.db2.gz NMSHTNYLIOWDIS-OAHLLOKOSA-N 1 1 336.484 0.844 50 0 ECAAMO O=C(c1cccs1)N1CCC([N@H+]2CCN3CCNC(=O)[C@@H]3C2)CC1 ZINC000065410876 436660454 /nfs/dbraw/zinc/66/04/54/436660454.db2.gz JPYVTTHSXPMDEH-AWEZNQCLSA-N 1 1 348.472 0.469 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCn2nnc3ccccc32)C1 ZINC000065461033 436663205 /nfs/dbraw/zinc/66/32/05/436663205.db2.gz BGYLMWRVCFNBIW-CXAGYDPISA-N 1 1 328.420 0.089 50 0 ECAAMO CS(=O)(=O)N1CCO[C@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC000065454701 436663636 /nfs/dbraw/zinc/66/36/36/436663636.db2.gz SKUAJMJFXFGRJZ-SNVBAGLBSA-N 1 1 342.377 0.080 50 0 ECAAMO CS(=O)(=O)N1CCO[C@@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC000065454703 436663900 /nfs/dbraw/zinc/66/39/00/436663900.db2.gz SKUAJMJFXFGRJZ-JTQLQIEISA-N 1 1 342.377 0.080 50 0 ECAAMO CCc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C)C2 ZINC000065528379 436666708 /nfs/dbraw/zinc/66/67/08/436666708.db2.gz BSBHITVKNGMDQF-DNVCBOLYSA-N 1 1 344.459 0.845 50 0 ECAAMO Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)c(C)c1 ZINC000067724510 436721971 /nfs/dbraw/zinc/72/19/71/436721971.db2.gz AOVVMCSSTSMDQH-UHFFFAOYSA-N 1 1 344.415 0.323 50 0 ECAAMO CN1CC[N@@H+](C)CC12CCN(c1nccc(N3CC[C@H](O)C3)n1)CC2 ZINC000067513991 436716282 /nfs/dbraw/zinc/71/62/82/436716282.db2.gz IVSIMBAOQGOPFY-HNNXBMFYSA-N 1 1 346.479 0.264 50 0 ECAAMO O=C(CC[NH+]1CC(n2cccn2)C1)N1CCN(c2ccccn2)CC1 ZINC000069413719 436771811 /nfs/dbraw/zinc/77/18/11/436771811.db2.gz UQRSWZSPYSBQFW-UHFFFAOYSA-N 1 1 340.431 0.874 50 0 ECAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000246030047 436771935 /nfs/dbraw/zinc/77/19/35/436771935.db2.gz VWVQVXNOEBQJHP-FZMZJTMJSA-N 1 1 338.433 0.892 50 0 ECAAMO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000247212763 436790038 /nfs/dbraw/zinc/79/00/38/436790038.db2.gz PUZOTHFONLPDTE-XHSDSOJGSA-N 1 1 325.409 0.140 50 0 ECAAMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000247212763 436790041 /nfs/dbraw/zinc/79/00/41/436790041.db2.gz PUZOTHFONLPDTE-XHSDSOJGSA-N 1 1 325.409 0.140 50 0 ECAAMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000247562023 436796050 /nfs/dbraw/zinc/79/60/50/436796050.db2.gz UWUNAELSTACKNV-JSGCOSHPSA-N 1 1 349.456 0.830 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248081328 436798961 /nfs/dbraw/zinc/79/89/61/436798961.db2.gz AKQPSHFVGUPNRV-ZNMIVQPWSA-N 1 1 343.493 0.743 50 0 ECAAMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)nn1 ZINC000253419543 436843095 /nfs/dbraw/zinc/84/30/95/436843095.db2.gz OTNIWLJENGOFGK-SNVBAGLBSA-N 1 1 335.389 0.672 50 0 ECAAMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C(N)=O)cs3)C2)nn1 ZINC000253419543 436843099 /nfs/dbraw/zinc/84/30/99/436843099.db2.gz OTNIWLJENGOFGK-SNVBAGLBSA-N 1 1 335.389 0.672 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@H]1C ZINC000252475026 436830730 /nfs/dbraw/zinc/83/07/30/436830730.db2.gz QUNMFISAKYIYQJ-HUUCEWRRSA-N 1 1 349.479 0.867 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@H]1C ZINC000252475026 436830735 /nfs/dbraw/zinc/83/07/35/436830735.db2.gz QUNMFISAKYIYQJ-HUUCEWRRSA-N 1 1 349.479 0.867 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCC[C@H]2Cn2cncn2)C[C@@H](C)O1 ZINC000257365022 436878052 /nfs/dbraw/zinc/87/80/52/436878052.db2.gz HTYIPHUNEGEECT-NCOADZHNSA-N 1 1 337.468 0.603 50 0 ECAAMO Nc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)c[nH+]1 ZINC000170602102 436946613 /nfs/dbraw/zinc/94/66/13/436946613.db2.gz BSWNKLXHKNOIKT-LLVKDONJSA-N 1 1 328.376 0.854 50 0 ECAAMO Cn1nncc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000253415931 303110269 /nfs/dbraw/zinc/11/02/69/303110269.db2.gz CRUFSCJXCANAHA-LBPRGKRZSA-N 1 1 325.369 0.289 50 0 ECAAMO N[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178761506 437228111 /nfs/dbraw/zinc/22/81/11/437228111.db2.gz ISDISQNMYGTRTJ-KRWDZBQOSA-N 1 1 330.432 0.453 50 0 ECAAMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC(=O)N1 ZINC000192229892 437672857 /nfs/dbraw/zinc/67/28/57/437672857.db2.gz WNMZQZHLKLSZIS-HZPDHXFCSA-N 1 1 331.416 0.672 50 0 ECAAMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2nc(C)oc2C)CC1=O ZINC000424064316 437884269 /nfs/dbraw/zinc/88/42/69/437884269.db2.gz ZBNBGFUOHYNHFS-ZDUSSCGKSA-N 1 1 338.408 0.200 50 0 ECAAMO COCc1cc(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000426390024 438056254 /nfs/dbraw/zinc/05/62/54/438056254.db2.gz YXWPXZFWZNIMJI-LBPRGKRZSA-N 1 1 332.408 0.536 50 0 ECAAMO Cc1cc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)ccn1 ZINC000426521519 438061960 /nfs/dbraw/zinc/06/19/60/438061960.db2.gz UAKXXYOJBLIEOY-AWEZNQCLSA-N 1 1 329.404 0.544 50 0 ECAAMO CCn1cncc1CNc1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426536202 438066064 /nfs/dbraw/zinc/06/60/64/438066064.db2.gz AAYUDYJHQPVYAQ-LBPRGKRZSA-N 1 1 332.408 0.057 50 0 ECAAMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-c4cc(=O)[nH]c(N)n4)cc3)C[C@H]2C1 ZINC000426531870 438066678 /nfs/dbraw/zinc/06/66/78/438066678.db2.gz VNHCANPGYVBKBZ-OKILXGFUSA-N 1 1 339.399 1.065 50 0 ECAAMO Cc1nc2c(c(=O)[nH]1)C[N@H+](C1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000584887802 439624784 /nfs/dbraw/zinc/62/47/84/439624784.db2.gz FRLYKOOXLQUBOJ-HNNXBMFYSA-N 1 1 332.404 0.976 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735695 545713743 /nfs/dbraw/zinc/71/37/43/545713743.db2.gz ANRKRRBGMMWSHX-ZACQAIPSSA-N 1 1 349.475 0.814 50 0 ECAAMO O=C(Cn1nccn1)N1CC[C@@]2(O)CC[N@@H+](C3CCCCC3)C[C@H]2C1 ZINC000091365011 545721685 /nfs/dbraw/zinc/72/16/85/545721685.db2.gz DXRZKCFTNHQWEA-YJBOKZPZSA-N 1 1 347.463 0.896 50 0 ECAAMO NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)cc1 ZINC000244866698 545936706 /nfs/dbraw/zinc/93/67/06/545936706.db2.gz WAYOEOVLCZULAB-HIFRSBDPSA-N 1 1 344.415 0.715 50 0 ECAAMO C[N@H+]1CCCN(CC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000670437133 548010170 /nfs/dbraw/zinc/01/01/70/548010170.db2.gz XSBMPWXXZNHCBI-HNNXBMFYSA-N 1 1 336.480 0.531 50 0 ECAAMO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000670446505 548013439 /nfs/dbraw/zinc/01/34/39/548013439.db2.gz DGOZIEVSWDZYCB-OAHLLOKOSA-N 1 1 335.456 0.090 50 0 ECAAMO Cc1[nH+]cn(CCNC(=O)c2cnc3c(O)cccn3c2=O)c1C ZINC000670466103 548016826 /nfs/dbraw/zinc/01/68/26/548016826.db2.gz KIVVNVTYMGRMED-UHFFFAOYSA-N 1 1 327.344 0.643 50 0 ECAAMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN(C)C)n1 ZINC000169790927 609746902 /nfs/dbraw/zinc/74/69/02/609746902.db2.gz IBZFAWXBVWZNRD-RHSMWYFYSA-N 1 1 349.479 0.674 50 0 ECAAMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CN(C)C)n1 ZINC000169790927 609746904 /nfs/dbraw/zinc/74/69/04/609746904.db2.gz IBZFAWXBVWZNRD-RHSMWYFYSA-N 1 1 349.479 0.674 50 0 ECAAMO CN1CC[NH+](Cc2ccc(CNC(=O)c3cncnc3N)cc2)CC1 ZINC000185421641 610855628 /nfs/dbraw/zinc/85/56/28/610855628.db2.gz NTBFMEMIMOJNMB-UHFFFAOYSA-N 1 1 340.431 0.736 50 0 ECAAMO CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1Nc1cc[nH+]c(N)n1 ZINC000091547527 612875089 /nfs/dbraw/zinc/87/50/89/612875089.db2.gz JWZJQKSJDBDWGV-RYUDHWBXSA-N 1 1 327.454 0.616 50 0 ECAAMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000051186178 214082071 /nfs/dbraw/zinc/08/20/71/214082071.db2.gz JJKDTNRVPBDESV-HIFRSBDPSA-N 1 1 325.453 0.895 50 0 ECAAMO Cn1cc(C(=O)NC2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000052904097 214154015 /nfs/dbraw/zinc/15/40/15/214154015.db2.gz UEHYZDZUCVWCIS-MRXNPFEDSA-N 1 1 341.415 0.841 50 0 ECAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccnc(-n3cncn3)c2)C[C@H](C)O1 ZINC000053794153 214198502 /nfs/dbraw/zinc/19/85/02/214198502.db2.gz XAOPGOIVWGJHHC-OKILXGFUSA-N 1 1 344.419 0.891 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1c[nH]c(=O)c2ccccc12 ZINC000097759207 219054825 /nfs/dbraw/zinc/05/48/25/219054825.db2.gz SGNOUFSNUZRZTN-ZDUSSCGKSA-N 1 1 329.400 0.962 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000055271906 214299771 /nfs/dbraw/zinc/29/97/71/214299771.db2.gz UYWUYDBZZRUTGP-ZDUSSCGKSA-N 1 1 347.419 0.044 50 0 ECAAMO CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCC[NH+]2CCCC2)C1 ZINC000101529845 219132035 /nfs/dbraw/zinc/13/20/35/219132035.db2.gz JQMKVXGTODDVRZ-CYBMUJFWSA-N 1 1 349.431 0.570 50 0 ECAAMO Cc1nsc(N2CCC[N@H+](Cc3cc(=O)n4nccc4[nH]3)CC2)n1 ZINC000102706249 219223321 /nfs/dbraw/zinc/22/33/21/219223321.db2.gz VKKCNYKNKKCMOE-UHFFFAOYSA-N 1 1 345.432 0.895 50 0 ECAAMO Cc1nsc(N2CCC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)CC2)n1 ZINC000102706249 219223323 /nfs/dbraw/zinc/22/33/23/219223323.db2.gz VKKCNYKNKKCMOE-UHFFFAOYSA-N 1 1 345.432 0.895 50 0 ECAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)[nH]n1 ZINC000067946190 215253896 /nfs/dbraw/zinc/25/38/96/215253896.db2.gz UFSOCDPDNJTHRN-NSHDSACASA-N 1 1 349.416 0.818 50 0 ECAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453484 215309576 /nfs/dbraw/zinc/30/95/76/215309576.db2.gz QTHNQTNOUMVAJU-GFCCVEGCSA-N 1 1 344.419 0.919 50 0 ECAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccon1)[NH+]1CCCC1 ZINC000011898222 282734283 /nfs/dbraw/zinc/73/42/83/282734283.db2.gz WHDMVIJVNVLGBF-ZDUSSCGKSA-N 1 1 331.376 0.905 50 0 ECAAMO COc1ccc2cc(C(=O)NC3CC[NH+](CC(N)=O)CC3)[nH]c2c1 ZINC000040520796 213332582 /nfs/dbraw/zinc/33/25/82/213332582.db2.gz ZNTDHALJVOTYLG-UHFFFAOYSA-N 1 1 330.388 0.856 50 0 ECAAMO Cc1csc(=O)n1CCC(=O)NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040490406 213320355 /nfs/dbraw/zinc/32/03/55/213320355.db2.gz CSUTYAMVWLMLPI-STQMWFEESA-N 1 1 327.450 0.834 50 0 ECAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)CCO ZINC000040473164 213310864 /nfs/dbraw/zinc/31/08/64/213310864.db2.gz UJULDKPYSUTIOV-UHFFFAOYSA-N 1 1 340.449 0.731 50 0 ECAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)CCO ZINC000040473164 213310869 /nfs/dbraw/zinc/31/08/69/213310869.db2.gz UJULDKPYSUTIOV-UHFFFAOYSA-N 1 1 340.449 0.731 50 0 ECAAMO Cn1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000040088586 213261156 /nfs/dbraw/zinc/26/11/56/213261156.db2.gz QHDVJTBZKVXLCI-UHFFFAOYSA-N 1 1 342.399 0.422 50 0 ECAAMO COc1ccc2c(c1)CCCN2C(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000069902161 215628187 /nfs/dbraw/zinc/62/81/87/215628187.db2.gz USAZJABFTLVGSL-HNNXBMFYSA-N 1 1 347.459 0.973 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000072255074 216085127 /nfs/dbraw/zinc/08/51/27/216085127.db2.gz MYRRENYJITZVKH-JKSUJKDBSA-N 1 1 333.436 0.684 50 0 ECAAMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000072255074 216085130 /nfs/dbraw/zinc/08/51/30/216085130.db2.gz MYRRENYJITZVKH-JKSUJKDBSA-N 1 1 333.436 0.684 50 0 ECAAMO O=C1NCCc2ccc(S(=O)(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000072286562 216118500 /nfs/dbraw/zinc/11/85/00/216118500.db2.gz NAJDUQJFPWVFGK-CYBMUJFWSA-N 1 1 335.429 0.441 50 0 ECAAMO O=C(CCn1cc(Cl)cn1)N1C[C@H](O)[C@@H]([NH+]2CCSCC2)C1 ZINC000072407527 216197709 /nfs/dbraw/zinc/19/77/09/216197709.db2.gz ZMWUETCUNUBQBX-STQMWFEESA-N 1 1 344.868 0.547 50 0 ECAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)CN1C(=O)CNC1=O ZINC000072411777 216204142 /nfs/dbraw/zinc/20/41/42/216204142.db2.gz MXLNFAHHLRUFME-CQSZACIVSA-N 1 1 330.388 0.053 50 0 ECAAMO O=C(c1cccs1)N1CCN(C(=O)[C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072454183 216240949 /nfs/dbraw/zinc/24/09/49/216240949.db2.gz OIAHLBFMGQPXFN-AWEZNQCLSA-N 1 1 345.428 0.643 50 0 ECAAMO O=C(NCc1noc(Cc2cccs2)n1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072462921 216245659 /nfs/dbraw/zinc/24/56/59/216245659.db2.gz VTBSLWIITAMWNX-AWEZNQCLSA-N 1 1 344.400 0.948 50 0 ECAAMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c1 ZINC000022932484 212336019 /nfs/dbraw/zinc/33/60/19/212336019.db2.gz VZGNPIUSZSICOA-MRXNPFEDSA-N 1 1 335.448 0.441 50 0 ECAAMO COC(=O)c1cc(NC(=O)CN2CC[NH+](C)CC2)cc(C(=O)OC)c1 ZINC000022595576 212310250 /nfs/dbraw/zinc/31/02/50/212310250.db2.gz RWNNXECYSHBUBB-UHFFFAOYSA-N 1 1 349.387 0.446 50 0 ECAAMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000229737786 242194519 /nfs/dbraw/zinc/19/45/19/242194519.db2.gz FPTDPPUHQUHCDV-KBPBESRZSA-N 1 1 333.498 0.941 50 0 ECAAMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000229737786 242194522 /nfs/dbraw/zinc/19/45/22/242194522.db2.gz FPTDPPUHQUHCDV-KBPBESRZSA-N 1 1 333.498 0.941 50 0 ECAAMO C[N@H+]1C[C@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)C[C@H]1CO ZINC000244659480 243051135 /nfs/dbraw/zinc/05/11/35/243051135.db2.gz HDJMTUTYAXUVGW-CABCVRRESA-N 1 1 346.431 0.115 50 0 ECAAMO CC[NH+]1CCN(C(=O)Cn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512295 212142952 /nfs/dbraw/zinc/14/29/52/212142952.db2.gz FVMXLAOCBCYQRA-UHFFFAOYSA-N 1 1 339.399 0.813 50 0 ECAAMO Cn1c(=O)[nH]cc(CC[N@@H+]2CCNC(=O)[C@H]2Cc2ccccc2)c1=O ZINC000253536116 244012850 /nfs/dbraw/zinc/01/28/50/244012850.db2.gz IRGOTECGSJCBAN-OAHLLOKOSA-N 1 1 342.399 0.072 50 0 ECAAMO Cn1c(=O)[nH]cc(CC[N@H+]2CCNC(=O)[C@H]2Cc2ccccc2)c1=O ZINC000253536116 244012855 /nfs/dbraw/zinc/01/28/55/244012855.db2.gz IRGOTECGSJCBAN-OAHLLOKOSA-N 1 1 342.399 0.072 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2O)=NO1 ZINC000020028795 212094834 /nfs/dbraw/zinc/09/48/34/212094834.db2.gz WNLQHUGEEQTITO-MRXNPFEDSA-N 1 1 333.388 0.724 50 0 ECAAMO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(CCO)CC2)c1 ZINC000019841441 212073810 /nfs/dbraw/zinc/07/38/10/212073810.db2.gz ZLZFSPYVZNCFPG-UHFFFAOYSA-N 1 1 337.420 0.642 50 0 ECAAMO Cc1cc(C)nc(Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)n1 ZINC000019792628 212067377 /nfs/dbraw/zinc/06/73/77/212067377.db2.gz AWLNQIJNNAWNFI-UHFFFAOYSA-N 1 1 328.420 0.840 50 0 ECAAMO CSCCNC(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019739540 212060448 /nfs/dbraw/zinc/06/04/48/212060448.db2.gz LNTKSWSYZNOMHB-CQSZACIVSA-N 1 1 343.493 0.427 50 0 ECAAMO CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000012431349 211377572 /nfs/dbraw/zinc/37/75/72/211377572.db2.gz UMPMVNYQAZGTEQ-OAHLLOKOSA-N 1 1 347.463 0.995 50 0 ECAAMO CCn1nc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1C ZINC000091487146 218013195 /nfs/dbraw/zinc/01/31/95/218013195.db2.gz XGSCJMKGYTWLEY-IAGOWNOFSA-N 1 1 336.480 0.892 50 0 ECAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2CO)CC1 ZINC000091547097 218020394 /nfs/dbraw/zinc/02/03/94/218020394.db2.gz NOWHLVMFIGAYEI-QZTJIDSGSA-N 1 1 346.475 0.329 50 0 ECAAMO Cc1nn(CCO)c(C)c1CN1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091693536 218049142 /nfs/dbraw/zinc/04/91/42/218049142.db2.gz GNSRCYFYHALGEC-SFHVURJKSA-N 1 1 349.479 0.279 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnnn1)C2 ZINC000091645521 218039144 /nfs/dbraw/zinc/03/91/44/218039144.db2.gz FBTQHDHZVACDJD-UONOGXRCSA-N 1 1 345.407 0.401 50 0 ECAAMO Cn1c(Cn2cccn2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000091858419 218078162 /nfs/dbraw/zinc/07/81/62/218078162.db2.gz UYPNKPGHHMYOQZ-UHFFFAOYSA-N 1 1 339.407 0.816 50 0 ECAAMO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000095355874 218288987 /nfs/dbraw/zinc/28/89/87/218288987.db2.gz TVWMAWADHCXSKY-MRXNPFEDSA-N 1 1 349.479 0.529 50 0 ECAAMO COc1ccc(CC[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1OC ZINC000009054352 211035656 /nfs/dbraw/zinc/03/56/56/211035656.db2.gz YPPWTZRVQWPLLX-UHFFFAOYSA-N 1 1 347.415 0.776 50 0 ECAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)n1 ZINC000095389136 218320688 /nfs/dbraw/zinc/32/06/88/218320688.db2.gz CTGWISLZQUBJFM-MRXNPFEDSA-N 1 1 342.403 0.243 50 0 ECAAMO Cn1ccnc1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400494 218334351 /nfs/dbraw/zinc/33/43/51/218334351.db2.gz VZBVRPQIPJPZFW-INIZCTEOSA-N 1 1 328.416 0.980 50 0 ECAAMO Cn1ccnc1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400494 218334352 /nfs/dbraw/zinc/33/43/52/218334352.db2.gz VZBVRPQIPJPZFW-INIZCTEOSA-N 1 1 328.416 0.980 50 0 ECAAMO Cn1ncc2cnn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000095438881 218382206 /nfs/dbraw/zinc/38/22/06/218382206.db2.gz KFVPUIZCYDMZHJ-HNNXBMFYSA-N 1 1 327.388 0.623 50 0 ECAAMO C[C@@H](C(=O)NC(C)(C)C(=O)NCC1CCCC1)N1CC[NH+](C)CC1 ZINC000097112900 218960798 /nfs/dbraw/zinc/96/07/98/218960798.db2.gz HKYBJZKJLMFQQV-AWEZNQCLSA-N 1 1 338.496 0.824 50 0 ECAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1=COCCO1 ZINC000154238936 224224584 /nfs/dbraw/zinc/22/45/84/224224584.db2.gz UBESSXDRFQEFEX-JKSUJKDBSA-N 1 1 332.400 0.874 50 0 ECAAMO O=C(c1cccn2cnnc12)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000299770409 258083584 /nfs/dbraw/zinc/08/35/84/258083584.db2.gz VLBKWWNILYBSBG-AWEZNQCLSA-N 1 1 329.404 0.791 50 0 ECAAMO CCNc1cc[nH+]c(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1 ZINC000299802524 258105335 /nfs/dbraw/zinc/10/53/35/258105335.db2.gz YMWYDLVJIBQRSO-TZMCWYRMSA-N 1 1 342.403 0.991 50 0 ECAAMO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)C(=O)N(C)C ZINC000065491689 278092043 /nfs/dbraw/zinc/09/20/43/278092043.db2.gz VSMUBQXUBFNJDB-CYBMUJFWSA-N 1 1 337.468 0.946 50 0 ECAAMO Cc1cc(NC(=O)CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n(C)n1 ZINC000069778636 435964065 /nfs/dbraw/zinc/96/40/65/435964065.db2.gz GJQCGKPQAZZTFR-AWEZNQCLSA-N 1 1 337.468 0.692 50 0 ECAAMO Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000069950859 435978885 /nfs/dbraw/zinc/97/88/85/435978885.db2.gz OQDPLLIGHJIEFO-CQSZACIVSA-N 1 1 346.431 0.637 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000069951976 435981153 /nfs/dbraw/zinc/98/11/53/435981153.db2.gz ZALAIKYCYYUBNC-LBPRGKRZSA-N 1 1 333.392 0.722 50 0 ECAAMO O=C(CCN1CCCC1=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000070020898 435983296 /nfs/dbraw/zinc/98/32/96/435983296.db2.gz GBSSSXQPFQUNQR-QGZVFWFLSA-N 1 1 345.443 0.877 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cncn1)NCc1ccc2c(c1)OCO2 ZINC000069620958 435951617 /nfs/dbraw/zinc/95/16/17/435951617.db2.gz CEDWXQSBTQOHGZ-CQSZACIVSA-N 1 1 343.387 0.788 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)NCc1ccc2c(c1)OCO2 ZINC000069620958 435951622 /nfs/dbraw/zinc/95/16/22/435951622.db2.gz CEDWXQSBTQOHGZ-CQSZACIVSA-N 1 1 343.387 0.788 50 0 ECAAMO CCc1noc([C@H](C)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069652148 435953228 /nfs/dbraw/zinc/95/32/28/435953228.db2.gz HDBUSEFPQQSVOG-KBPBESRZSA-N 1 1 334.424 0.568 50 0 ECAAMO Cc1csc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000069658313 435956970 /nfs/dbraw/zinc/95/69/70/435956970.db2.gz VPDPGZNJAQFSII-CQSZACIVSA-N 1 1 326.466 0.267 50 0 ECAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071551979 436005521 /nfs/dbraw/zinc/00/55/21/436005521.db2.gz RLMZFVOUWLZMDW-HNNXBMFYSA-N 1 1 348.447 0.841 50 0 ECAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000008193684 436023410 /nfs/dbraw/zinc/02/34/10/436023410.db2.gz FGMXOFICHISHDG-HNNXBMFYSA-N 1 1 330.432 0.533 50 0 ECAAMO COCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC000071880103 436025409 /nfs/dbraw/zinc/02/54/09/436025409.db2.gz AXZWCYIDKACOFG-AWEZNQCLSA-N 1 1 335.404 0.861 50 0 ECAAMO COc1ccc(NC(=O)CC[N@@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000071897213 436028960 /nfs/dbraw/zinc/02/89/60/436028960.db2.gz DZWDITKKRAWOPS-UHFFFAOYSA-N 1 1 335.404 0.814 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000072268612 436035957 /nfs/dbraw/zinc/03/59/57/436035957.db2.gz YFWXENIADMIWCB-LSDHHAIUSA-N 1 1 348.447 0.449 50 0 ECAAMO Cc1ccc2nc(C[N@H+]3CCc4nn(C)c(=O)cc4C3)cc(=O)n2c1 ZINC000072302348 436043495 /nfs/dbraw/zinc/04/34/95/436043495.db2.gz YHUZPOFABUXRKA-UHFFFAOYSA-N 1 1 337.383 0.655 50 0 ECAAMO Cc1ccc2nc(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)cc(=O)n2c1 ZINC000072302348 436043497 /nfs/dbraw/zinc/04/34/97/436043497.db2.gz YHUZPOFABUXRKA-UHFFFAOYSA-N 1 1 337.383 0.655 50 0 ECAAMO CC(C)(CNC(=O)C[N@H+](CCO)Cc1ccccc1)N1CCOCC1 ZINC000070927900 435995438 /nfs/dbraw/zinc/99/54/38/435995438.db2.gz VFIWLIWFDCRUBZ-UHFFFAOYSA-N 1 1 349.475 0.708 50 0 ECAAMO CC(C)(CNC(=O)C[N@@H+](CCO)Cc1ccccc1)N1CCOCC1 ZINC000070927900 435995443 /nfs/dbraw/zinc/99/54/43/435995443.db2.gz VFIWLIWFDCRUBZ-UHFFFAOYSA-N 1 1 349.475 0.708 50 0 ECAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC000013112542 436060512 /nfs/dbraw/zinc/06/05/12/436060512.db2.gz AHTLBZGKDDPRKX-ZIAGYGMSSA-N 1 1 339.388 0.678 50 0 ECAAMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000024060119 436132412 /nfs/dbraw/zinc/13/24/12/436132412.db2.gz VELPQSSFJZIMBT-LBPRGKRZSA-N 1 1 337.445 0.955 50 0 ECAAMO Cn1c(=O)[nH]cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1=O ZINC000075107573 436149914 /nfs/dbraw/zinc/14/99/14/436149914.db2.gz CWTQDIKQSWFHDW-UHFFFAOYSA-N 1 1 330.388 0.326 50 0 ECAAMO CC[NH+]1CCN(c2nc3c(cnn3C)c(N3CCN(C)CC3)n2)CC1 ZINC000021929784 436117421 /nfs/dbraw/zinc/11/74/21/436117421.db2.gz CSHCOAFAZJVTKJ-UHFFFAOYSA-N 1 1 344.467 0.257 50 0 ECAAMO O=C([C@@H]1CSCCC(=O)N1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000075171086 436156762 /nfs/dbraw/zinc/15/67/62/436156762.db2.gz DJALWGDWGCMFIX-HNNXBMFYSA-N 1 1 333.457 0.953 50 0 ECAAMO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CC[NH+](CCO)CC1 ZINC000075572149 436165933 /nfs/dbraw/zinc/16/59/33/436165933.db2.gz BGFFBZWOLKGAGG-UHFFFAOYSA-N 1 1 340.807 0.790 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)Nc3cccnc3)C[C@H]2C)CC1 ZINC000076055212 436189159 /nfs/dbraw/zinc/18/91/59/436189159.db2.gz UOUFKVGLQCWGMJ-PBHICJAKSA-N 1 1 345.447 0.505 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)Nc3cccnc3)C[C@H]2C)CC1 ZINC000076055212 436189165 /nfs/dbraw/zinc/18/91/65/436189165.db2.gz UOUFKVGLQCWGMJ-PBHICJAKSA-N 1 1 345.447 0.505 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@H](O)COCc1ccco1)CC2 ZINC000076064261 436190458 /nfs/dbraw/zinc/19/04/58/436190458.db2.gz IMSDHVOVZABWDP-AWEZNQCLSA-N 1 1 333.388 0.792 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCNC(=O)C1 ZINC000029826618 436209736 /nfs/dbraw/zinc/20/97/36/436209736.db2.gz ZKKASBZIZUFKCZ-CYBMUJFWSA-N 1 1 342.399 0.966 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCNC(=O)C1 ZINC000029826618 436209738 /nfs/dbraw/zinc/20/97/38/436209738.db2.gz ZKKASBZIZUFKCZ-CYBMUJFWSA-N 1 1 342.399 0.966 50 0 ECAAMO CC[C@@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000030144640 436214204 /nfs/dbraw/zinc/21/42/04/436214204.db2.gz PGNZMZNXHNAGDS-CYBMUJFWSA-N 1 1 333.436 0.946 50 0 ECAAMO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2nccs2)CC1 ZINC000044896487 436352320 /nfs/dbraw/zinc/35/23/20/436352320.db2.gz FDQZHCSSTLOEDZ-KGLIPLIRSA-N 1 1 327.450 0.822 50 0 ECAAMO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](CCO)CC1 ZINC000042287294 436299789 /nfs/dbraw/zinc/29/97/89/436299789.db2.gz IHEVMKZOUJRVQA-CABCVRRESA-N 1 1 335.448 0.871 50 0 ECAAMO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2nccs2)CC1 ZINC000044896485 436352831 /nfs/dbraw/zinc/35/28/31/436352831.db2.gz FDQZHCSSTLOEDZ-KBPBESRZSA-N 1 1 327.450 0.822 50 0 ECAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cn2ccccc2n1 ZINC000044911416 436352942 /nfs/dbraw/zinc/35/29/42/436352942.db2.gz FKVUJTOQFNQCGD-ZBFHGGJFSA-N 1 1 344.415 0.801 50 0 ECAAMO CC[C@@](C)(CNC(=O)Cn1nc2ccccn2c1=O)[NH+]1CCOCC1 ZINC000042775678 436317507 /nfs/dbraw/zinc/31/75/07/436317507.db2.gz YBWMDWAUFZVMGW-KRWDZBQOSA-N 1 1 347.419 0.113 50 0 ECAAMO Cc1cc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n(C)n1 ZINC000043434019 436332238 /nfs/dbraw/zinc/33/22/38/436332238.db2.gz LCXDPTYZRPAAPM-KGLIPLIRSA-N 1 1 337.424 0.587 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000045608236 436371636 /nfs/dbraw/zinc/37/16/36/436371636.db2.gz WVIVSVQVFCTANE-UHFFFAOYSA-N 1 1 348.403 0.207 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735691 436384172 /nfs/dbraw/zinc/38/41/72/436384172.db2.gz DCSCEDYFEVHONG-FMKPAKJESA-N 1 1 335.448 0.567 50 0 ECAAMO CC[C@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000084736109 436384231 /nfs/dbraw/zinc/38/42/31/436384231.db2.gz CSJUPUURJOBMOY-DZGCQCFKSA-N 1 1 329.404 0.912 50 0 ECAAMO CC[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000084779897 436386222 /nfs/dbraw/zinc/38/62/22/436386222.db2.gz WLJAXIZGDUXVRL-QMTHXVAHSA-N 1 1 337.449 0.895 50 0 ECAAMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](CCn3cccn3)C2)no1 ZINC000089290003 436407686 /nfs/dbraw/zinc/40/76/86/436407686.db2.gz IAQLFUDHOQXXHT-AWEZNQCLSA-N 1 1 332.408 0.952 50 0 ECAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000044950540 436357764 /nfs/dbraw/zinc/35/77/64/436357764.db2.gz FBINOWMBCQPLMD-HNNXBMFYSA-N 1 1 343.431 0.734 50 0 ECAAMO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000048035266 436438416 /nfs/dbraw/zinc/43/84/16/436438416.db2.gz XDLNVOWWPGJHNS-AAEUAGOBSA-N 1 1 335.404 0.516 50 0 ECAAMO CCn1c(Cn2cncn2)nnc1C1CCN(C2CC[NH2+]CC2)CC1 ZINC000091325866 436448674 /nfs/dbraw/zinc/44/86/74/436448674.db2.gz OWMGMLIOEXCNMG-UHFFFAOYSA-N 1 1 344.467 0.869 50 0 ECAAMO C[N@@H+](CCO)C[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@@H]1CO ZINC000091364991 436450957 /nfs/dbraw/zinc/45/09/57/436450957.db2.gz PQYHMYXEQONOJQ-HUUCEWRRSA-N 1 1 332.404 0.705 50 0 ECAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCNC(=O)C2)cc1OC ZINC000048362336 436451543 /nfs/dbraw/zinc/45/15/43/436451543.db2.gz QPZRLCFPAZKLJV-AWEZNQCLSA-N 1 1 347.415 0.799 50 0 ECAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCNC(=O)C2)cc1OC ZINC000048362336 436451545 /nfs/dbraw/zinc/45/15/45/436451545.db2.gz QPZRLCFPAZKLJV-AWEZNQCLSA-N 1 1 347.415 0.799 50 0 ECAAMO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000089718311 436415726 /nfs/dbraw/zinc/41/57/26/436415726.db2.gz XGLJEXAQIIZAMX-AWEZNQCLSA-N 1 1 337.424 0.716 50 0 ECAAMO CCN1C[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000047458712 436420067 /nfs/dbraw/zinc/42/00/67/436420067.db2.gz RJSZGQSTVBBRHM-MRXNPFEDSA-N 1 1 344.459 0.793 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000096181783 436519462 /nfs/dbraw/zinc/51/94/62/436519462.db2.gz MCHGSNCGXAACKX-IAGOWNOFSA-N 1 1 349.406 0.888 50 0 ECAAMO CN(C)c1[nH+]cc(CNC(=O)CCn2nc3ccccn3c2=O)n1C ZINC000096408469 436532216 /nfs/dbraw/zinc/53/22/16/436532216.db2.gz HPQVUMBAZGXUQJ-UHFFFAOYSA-N 1 1 343.391 0.002 50 0 ECAAMO CN(C)S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000053607655 436536041 /nfs/dbraw/zinc/53/60/41/436536041.db2.gz HBCFEVWIFPGZJT-UHFFFAOYSA-N 1 1 333.376 0.379 50 0 ECAAMO CN1CC[N@@H+](C)CC12CCN(c1nccc(N3CC[C@@H](O)C3)n1)CC2 ZINC000106719511 436600654 /nfs/dbraw/zinc/60/06/54/436600654.db2.gz IVSIMBAOQGOPFY-OAHLLOKOSA-N 1 1 346.479 0.264 50 0 ECAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@@H](O)CN3CCOCC3)C2)nn1 ZINC000106785514 436601574 /nfs/dbraw/zinc/60/15/74/436601574.db2.gz WJDDNEJDVSANSA-IAGOWNOFSA-N 1 1 349.479 0.379 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000106869440 436603973 /nfs/dbraw/zinc/60/39/73/436603973.db2.gz SQEYPGCWXLHVOY-KBPBESRZSA-N 1 1 330.432 0.853 50 0 ECAAMO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000107056345 436606655 /nfs/dbraw/zinc/60/66/55/436606655.db2.gz YTGQOQYOAVMSFK-LSDHHAIUSA-N 1 1 348.451 0.957 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000058159269 436620524 /nfs/dbraw/zinc/62/05/24/436620524.db2.gz HKHWKVOVNGZMRW-LSDHHAIUSA-N 1 1 329.400 0.554 50 0 ECAAMO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000065415598 436659172 /nfs/dbraw/zinc/65/91/72/436659172.db2.gz TYAPSIXLXICJAZ-UHFFFAOYSA-N 1 1 340.449 0.442 50 0 ECAAMO Cn1cccc1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000223666524 436707068 /nfs/dbraw/zinc/70/70/68/436707068.db2.gz HGIRXQOJKLQPGU-UHFFFAOYSA-N 1 1 339.461 0.797 50 0 ECAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)c1ccco1 ZINC000229311918 436715209 /nfs/dbraw/zinc/71/52/09/436715209.db2.gz MLIJFGBHRYPIKM-XWCIJXRUSA-N 1 1 348.403 0.767 50 0 ECAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3nccnc3C)C[C@H](O)C2)CC1 ZINC000225338940 436710355 /nfs/dbraw/zinc/71/03/55/436710355.db2.gz XDAFYEUOXXXLAA-KRWDZBQOSA-N 1 1 347.463 0.274 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000065456957 436663363 /nfs/dbraw/zinc/66/33/63/436663363.db2.gz XWLQGAYGHMDBQZ-QGZVFWFLSA-N 1 1 347.463 0.535 50 0 ECAAMO CCc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229297012 436714400 /nfs/dbraw/zinc/71/44/00/436714400.db2.gz UZPFQHVCWPCLMD-ZIAGYGMSSA-N 1 1 334.424 0.396 50 0 ECAAMO O=C(c1ccccc1F)N1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237799892 436745172 /nfs/dbraw/zinc/74/51/72/436745172.db2.gz HWNGVLFVWHNNAL-OAHLLOKOSA-N 1 1 335.379 0.489 50 0 ECAAMO CC[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1COc2ccccc2O1 ZINC000241774112 436759876 /nfs/dbraw/zinc/75/98/76/436759876.db2.gz RNCPQHPHFLGVAP-CVEARBPZSA-N 1 1 336.432 0.841 50 0 ECAAMO C[C@@H]1CN(c2ccc3nnnn3n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336640 436715494 /nfs/dbraw/zinc/71/54/94/436715494.db2.gz QNHOATLWDABEAR-UKRRQHHQSA-N 1 1 339.403 0.763 50 0 ECAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccccc2-n2cncn2)C1 ZINC000230528672 436717520 /nfs/dbraw/zinc/71/75/20/436717520.db2.gz OIBYDNJTGAZFHD-INIZCTEOSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccccc1-n1cncn1)[C@H]1CC[N@H+](C)C1 ZINC000230528672 436717523 /nfs/dbraw/zinc/71/75/23/436717523.db2.gz OIBYDNJTGAZFHD-INIZCTEOSA-N 1 1 342.447 0.910 50 0 ECAAMO CN(CCC(=O)NCc1ccccc1-n1cncn1)[C@H]1CC[N@@H+](C)C1 ZINC000230528672 436717527 /nfs/dbraw/zinc/71/75/27/436717527.db2.gz OIBYDNJTGAZFHD-INIZCTEOSA-N 1 1 342.447 0.910 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@H+](C[C@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000069445532 436773851 /nfs/dbraw/zinc/77/38/51/436773851.db2.gz MJHZULBFVYSWDQ-ULQDDVLXSA-N 1 1 339.436 0.449 50 0 ECAAMO Cc1cnn(C[C@@H]2C[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000069445532 436773855 /nfs/dbraw/zinc/77/38/55/436773855.db2.gz MJHZULBFVYSWDQ-ULQDDVLXSA-N 1 1 339.436 0.449 50 0 ECAAMO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)CCN1c1ccc2nncn2n1 ZINC000069458641 436775103 /nfs/dbraw/zinc/77/51/03/436775103.db2.gz LJYLRMFHZBTZMX-CQSZACIVSA-N 1 1 343.435 0.647 50 0 ECAAMO CNC(=O)NC(=O)CC[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069570884 436781055 /nfs/dbraw/zinc/78/10/55/436781055.db2.gz IBXSPKSCPZWZOA-UHFFFAOYSA-N 1 1 344.419 0.921 50 0 ECAAMO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000069558134 436781516 /nfs/dbraw/zinc/78/15/16/436781516.db2.gz IPLNYAHZBSKSHY-OLZOCXBDSA-N 1 1 334.420 0.957 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2Cn2cncn2)C1 ZINC000247910310 436797672 /nfs/dbraw/zinc/79/76/72/436797672.db2.gz DGKCCXYJPIGYLJ-CVEARBPZSA-N 1 1 348.451 0.260 50 0 ECAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000248120763 436800484 /nfs/dbraw/zinc/80/04/84/436800484.db2.gz JZPCTRHIXAYRDK-UONOGXRCSA-N 1 1 348.447 0.936 50 0 ECAAMO COc1ccccc1C(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000257176505 436857480 /nfs/dbraw/zinc/85/74/80/436857480.db2.gz TYLDFYFYGYLYBW-HIFRSBDPSA-N 1 1 347.415 0.220 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)n(C)n1 ZINC000257190762 436860525 /nfs/dbraw/zinc/86/05/25/436860525.db2.gz NSQFBZMCNPQUMG-DZGCQCFKSA-N 1 1 329.404 0.346 50 0 ECAAMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)n(C)n1 ZINC000257190762 436860529 /nfs/dbraw/zinc/86/05/29/436860529.db2.gz NSQFBZMCNPQUMG-DZGCQCFKSA-N 1 1 329.404 0.346 50 0 ECAAMO COC(=O)c1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1OC ZINC000282534423 437014667 /nfs/dbraw/zinc/01/46/67/437014667.db2.gz IOCCNOPMMCQNBE-UHFFFAOYSA-N 1 1 328.390 0.416 50 0 ECAAMO COCCOCC(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299764567 437111010 /nfs/dbraw/zinc/11/10/10/437111010.db2.gz AVKPIYJIQCPHNJ-HUUCEWRRSA-N 1 1 341.408 0.006 50 0 ECAAMO COCCOCC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299764567 437111013 /nfs/dbraw/zinc/11/10/13/437111013.db2.gz AVKPIYJIQCPHNJ-HUUCEWRRSA-N 1 1 341.408 0.006 50 0 ECAAMO Cc1cnc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cn1 ZINC000426407472 438056393 /nfs/dbraw/zinc/05/63/93/438056393.db2.gz CPSPMFKMGTUGFD-GFCCVEGCSA-N 1 1 342.403 0.872 50 0 ECAAMO Nc1nc(NCc2nnc(-c3ccncc3)[nH]2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426442551 438059434 /nfs/dbraw/zinc/05/94/34/438059434.db2.gz NHJUTSGZTPDCCN-LLVKDONJSA-N 1 1 338.375 0.777 50 0 ECAAMO C[NH+]1CCN([C@H]2CN(C(=O)COc3cccc(F)c3)C[C@@H]2O)CC1 ZINC000426465529 438060947 /nfs/dbraw/zinc/06/09/47/438060947.db2.gz XOGUMDYYPUNBRS-HOTGVXAUSA-N 1 1 337.395 0.024 50 0 ECAAMO OC1CN(c2nc(NCc3ccccn3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426511821 438062803 /nfs/dbraw/zinc/06/28/03/438062803.db2.gz VBCVQUJMRVQIFK-LBPRGKRZSA-N 1 1 327.388 1.169 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)N1CCN(c2ncccn2)CC1 ZINC000426533778 438065227 /nfs/dbraw/zinc/06/52/27/438065227.db2.gz KSUPCSNBALTXIE-OAHLLOKOSA-N 1 1 348.451 0.013 50 0 ECAAMO Cc1cccnc1CNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426545086 438065264 /nfs/dbraw/zinc/06/52/64/438065264.db2.gz NZZCAMAGFPYDAJ-CYBMUJFWSA-N 1 1 329.404 0.544 50 0 ECAAMO CC(C)CNC(=O)c1cccc(C[N@@H+](CCO)CCOCCO)c1 ZINC000408520264 438581597 /nfs/dbraw/zinc/58/15/97/438581597.db2.gz LUNDLFBZZHOPSA-UHFFFAOYSA-N 1 1 338.448 0.876 50 0 ECAAMO CCN(Cc1nc(C)no1)C(=O)NCC[C@H](C)N1CC[NH+](C)CC1 ZINC000534584172 439530089 /nfs/dbraw/zinc/53/00/89/439530089.db2.gz DWCKBGDOXIVXLD-ZDUSSCGKSA-N 1 1 338.456 0.936 50 0 ECAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000534647867 439532292 /nfs/dbraw/zinc/53/22/92/439532292.db2.gz PUKNYPRENZRNOB-ZDUSSCGKSA-N 1 1 333.392 0.818 50 0 ECAAMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000585142610 439634982 /nfs/dbraw/zinc/63/49/82/439634982.db2.gz ZYVISEXJDNJYOC-TXEJJXNPSA-N 1 1 342.465 0.488 50 0 ECAAMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000585142610 439634986 /nfs/dbraw/zinc/63/49/86/439634986.db2.gz ZYVISEXJDNJYOC-TXEJJXNPSA-N 1 1 342.465 0.488 50 0 ECAAMO CCc1noc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC000562933435 322288694 /nfs/dbraw/zinc/28/86/94/322288694.db2.gz LEJCIIJZGSEIOF-UHFFFAOYSA-N 1 1 325.413 0.876 50 0 ECAAMO Cc1cc(CN2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)on1 ZINC000052309236 524696928 /nfs/dbraw/zinc/69/69/28/524696928.db2.gz PGGCDASUFNHPRK-UHFFFAOYSA-N 1 1 349.435 0.821 50 0 ECAAMO CCc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)N1CCCOCC1 ZINC000083834235 545707432 /nfs/dbraw/zinc/70/74/32/545707432.db2.gz FMNKLTPVGOAWOP-AWEZNQCLSA-N 1 1 342.465 0.877 50 0 ECAAMO CNC(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000083882317 545707943 /nfs/dbraw/zinc/70/79/43/545707943.db2.gz YTNPPSDVXPBHHV-HUUCEWRRSA-N 1 1 332.404 0.112 50 0 ECAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC000084304214 545710430 /nfs/dbraw/zinc/71/04/30/545710430.db2.gz QOHOVEODJADEIT-AWEZNQCLSA-N 1 1 330.440 0.490 50 0 ECAAMO CC(=O)N1CCCN([C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000084714463 545713357 /nfs/dbraw/zinc/71/33/57/545713357.db2.gz OFLDLVBBGMBCMN-YJBOKZPZSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@@H+]([C@H]2CN(CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000084714463 545713361 /nfs/dbraw/zinc/71/33/61/545713361.db2.gz OFLDLVBBGMBCMN-YJBOKZPZSA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@H]2CN(CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000084714463 545713370 /nfs/dbraw/zinc/71/33/70/545713370.db2.gz OFLDLVBBGMBCMN-YJBOKZPZSA-N 1 1 333.480 0.837 50 0 ECAAMO C[NH+]1CCN(C(=O)CNC(=O)c2cc(-c3cccs3)on2)CC1 ZINC000096210153 545729094 /nfs/dbraw/zinc/72/90/94/545729094.db2.gz DSBCJLLCFGAAND-UHFFFAOYSA-N 1 1 334.401 0.907 50 0 ECAAMO C[N@H+]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C(=O)[O-] ZINC000670457156 548015500 /nfs/dbraw/zinc/01/55/00/548015500.db2.gz RFXXTPOHHYSTBP-JSGCOSHPSA-N 1 1 333.392 0.071 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H](c2cccnc2)C(F)(F)F)C1 ZINC000952967611 612139460 /nfs/dbraw/zinc/13/94/60/612139460.db2.gz IEVFYDNQUNODQS-YPMHNXCESA-N 1 1 344.337 0.999 50 0 ECAAMO Cc1cc(C)c(C(=O)N[C@H]2C[N@H+](C(CO)CO)C[C@@H]2C2CC2)cn1 ZINC000091656619 612910588 /nfs/dbraw/zinc/91/05/88/612910588.db2.gz UYWBCQKFCDDSBP-SJORKVTESA-N 1 1 333.432 0.492 50 0 ECAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCCc2nc(-c3cccnc3)no2)C1 ZINC000299800238 742122076 /nfs/dbraw/zinc/12/20/76/742122076.db2.gz XHPYGOUGSZSQSJ-CQSZACIVSA-N 1 1 344.419 0.426 50 0 ECAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCCc1nc(-c2cccnc2)no1 ZINC000299800238 742122079 /nfs/dbraw/zinc/12/20/79/742122079.db2.gz XHPYGOUGSZSQSJ-CQSZACIVSA-N 1 1 344.419 0.426 50 0 ECAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCCc1nc(-c2cccnc2)no1 ZINC000299800238 742122082 /nfs/dbraw/zinc/12/20/82/742122082.db2.gz XHPYGOUGSZSQSJ-CQSZACIVSA-N 1 1 344.419 0.426 50 0 ECAAMO NC(=O)CN1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H](O)C1 ZINC000097743494 219053383 /nfs/dbraw/zinc/05/33/83/219053383.db2.gz ZKRPJHYNRKBYKH-OAHLLOKOSA-N 1 1 347.394 0.180 50 0 ECAAMO NC(=O)CN1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H](O)C1 ZINC000097743494 219053385 /nfs/dbraw/zinc/05/33/85/219053385.db2.gz ZKRPJHYNRKBYKH-OAHLLOKOSA-N 1 1 347.394 0.180 50 0 ECAAMO Cn1c(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc(=O)n(C)c1=O ZINC000056635647 214381383 /nfs/dbraw/zinc/38/13/83/214381383.db2.gz XHBPAXINIIKLEC-ZDUSSCGKSA-N 1 1 331.372 0.356 50 0 ECAAMO Cn1c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc(=O)n(C)c1=O ZINC000056635647 214381386 /nfs/dbraw/zinc/38/13/86/214381386.db2.gz XHBPAXINIIKLEC-ZDUSSCGKSA-N 1 1 331.372 0.356 50 0 ECAAMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)n(C)c(=O)n1C ZINC000056650018 214382474 /nfs/dbraw/zinc/38/24/74/214382474.db2.gz HIGFNIRJCZPFPO-UHFFFAOYSA-N 1 1 331.372 0.835 50 0 ECAAMO Cc1csc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000061159625 214656887 /nfs/dbraw/zinc/65/68/87/214656887.db2.gz VPDPGZNJAQFSII-AWEZNQCLSA-N 1 1 326.466 0.267 50 0 ECAAMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1C(N)=O ZINC000048334012 213924193 /nfs/dbraw/zinc/92/41/93/213924193.db2.gz FELHZHDHPXESLI-UHFFFAOYSA-N 1 1 341.433 0.558 50 0 ECAAMO CC(C)c1nnsc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065381046 214880784 /nfs/dbraw/zinc/88/07/84/214880784.db2.gz VIZPQRMVKWVZDB-LLVKDONJSA-N 1 1 339.465 0.877 50 0 ECAAMO CC(C)c1nnsc1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065381046 214880785 /nfs/dbraw/zinc/88/07/85/214880785.db2.gz VIZPQRMVKWVZDB-LLVKDONJSA-N 1 1 339.465 0.877 50 0 ECAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000102335373 219195230 /nfs/dbraw/zinc/19/52/30/219195230.db2.gz BQFICGORABAKIE-INIZCTEOSA-N 1 1 347.415 0.973 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000067691554 215186583 /nfs/dbraw/zinc/18/65/83/215186583.db2.gz VSKYLHJQDXMHMF-RISCZKNCSA-N 1 1 328.376 0.150 50 0 ECAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3ccc(Cn4ccnc4)o3)C[C@H]2C1 ZINC000067755001 215202588 /nfs/dbraw/zinc/20/25/88/215202588.db2.gz OJRUNYVSVPBWDN-KBPBESRZSA-N 1 1 329.404 0.643 50 0 ECAAMO CN1CC[N@@H+]2C[C@@H](NC(=O)c3ccc(Cn4ccnc4)o3)C[C@H]2C1 ZINC000067755001 215202590 /nfs/dbraw/zinc/20/25/90/215202590.db2.gz OJRUNYVSVPBWDN-KBPBESRZSA-N 1 1 329.404 0.643 50 0 ECAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3ccc(Cn4ccnc4)o3)C[C@H]2C1 ZINC000067755001 215202593 /nfs/dbraw/zinc/20/25/93/215202593.db2.gz OJRUNYVSVPBWDN-KBPBESRZSA-N 1 1 329.404 0.643 50 0 ECAAMO O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067833344 215223653 /nfs/dbraw/zinc/22/36/53/215223653.db2.gz CRLLOAKSNTZCAF-UHFFFAOYSA-N 1 1 341.367 0.487 50 0 ECAAMO CC[C@]1(C2CC[NH+](Cc3cnc(COC)nc3)CC2)NC(=O)NC1=O ZINC000067854857 215231165 /nfs/dbraw/zinc/23/11/65/215231165.db2.gz RSMKWEDHRQMBPH-QGZVFWFLSA-N 1 1 347.419 0.823 50 0 ECAAMO C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC000067855017 215233453 /nfs/dbraw/zinc/23/34/53/215233453.db2.gz OESAIVALPRIORW-HNNXBMFYSA-N 1 1 335.404 0.719 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(Cc2ccco2)CC1 ZINC000067921498 215251681 /nfs/dbraw/zinc/25/16/81/215251681.db2.gz HOSRNKWYBJSAJJ-HOCLYGCPSA-N 1 1 348.447 0.556 50 0 ECAAMO C[C@H](Sc1ccccn1)C(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067967069 215262203 /nfs/dbraw/zinc/26/22/03/215262203.db2.gz CLZVWJAMFRORFQ-LBPRGKRZSA-N 1 1 334.445 0.643 50 0 ECAAMO O=C(Cn1cnnn1)NCC[C@@H]1C[N@H+](C2CCCCCC2)CCO1 ZINC000067983153 215267211 /nfs/dbraw/zinc/26/72/11/215267211.db2.gz ZYMKDSGAWBBWMR-OAHLLOKOSA-N 1 1 336.440 0.603 50 0 ECAAMO COC(=O)c1ccc(N2CC[N@@H+](CCC(=O)NC(N)=O)[C@H](C)C2)cc1 ZINC000069352164 215387920 /nfs/dbraw/zinc/38/79/20/215387920.db2.gz FGZVZJJEMARCOA-GFCCVEGCSA-N 1 1 348.403 0.569 50 0 ECAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCNC(=O)CC1 ZINC000182894412 234805224 /nfs/dbraw/zinc/80/52/24/234805224.db2.gz CUKXZIVGMAMNFR-MRXNPFEDSA-N 1 1 346.431 0.285 50 0 ECAAMO Cc1cccnc1NCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072144930 216030843 /nfs/dbraw/zinc/03/08/43/216030843.db2.gz MTUCYEXONFJDJP-OAHLLOKOSA-N 1 1 347.463 0.765 50 0 ECAAMO C[NH+](C)Cc1ccc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)o1 ZINC000072145415 216032594 /nfs/dbraw/zinc/03/25/94/216032594.db2.gz SJBMDVJCQJTYHX-AWEZNQCLSA-N 1 1 334.420 0.378 50 0 ECAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072158865 216048075 /nfs/dbraw/zinc/04/80/75/216048075.db2.gz BMVPVPSMYIRQEL-HNNXBMFYSA-N 1 1 334.420 0.150 50 0 ECAAMO COc1ccc(CNC(=O)CC[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc1 ZINC000072158762 216048387 /nfs/dbraw/zinc/04/83/87/216048387.db2.gz UIPMTUKEVVQHDJ-YJEJQGFLSA-N 1 1 348.443 0.765 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000072238005 216076976 /nfs/dbraw/zinc/07/69/76/216076976.db2.gz MFDDTHCIGLSXGT-IAGOWNOFSA-N 1 1 331.416 0.749 50 0 ECAAMO C[C@@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000022943302 212338209 /nfs/dbraw/zinc/33/82/09/212338209.db2.gz JYIPOAJTMKZUQJ-CQSZACIVSA-N 1 1 349.431 0.245 50 0 ECAAMO COc1cccc(OC)c1OC[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000022465724 212299466 /nfs/dbraw/zinc/29/94/66/212299466.db2.gz XZWRNMQMYCXCJL-CQSZACIVSA-N 1 1 340.420 0.053 50 0 ECAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC000195529908 240981303 /nfs/dbraw/zinc/98/13/03/240981303.db2.gz KFKRCUBFDHAZJM-ZDUSSCGKSA-N 1 1 345.447 0.525 50 0 ECAAMO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000215114092 241109220 /nfs/dbraw/zinc/10/92/20/241109220.db2.gz HFJZDUKWXIWHEA-CQSZACIVSA-N 1 1 340.445 0.807 50 0 ECAAMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000215114092 241109224 /nfs/dbraw/zinc/10/92/24/241109224.db2.gz HFJZDUKWXIWHEA-CQSZACIVSA-N 1 1 340.445 0.807 50 0 ECAAMO Cn1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000226746274 242111673 /nfs/dbraw/zinc/11/16/73/242111673.db2.gz JJGNSLPJIIXCJF-UHFFFAOYSA-N 1 1 341.415 0.494 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)c2ccc(=O)[nH]n2)[C@@H](c2ccccc2)C1 ZINC000229242541 242151227 /nfs/dbraw/zinc/15/12/27/242151227.db2.gz GCYFYMXWSDCTIP-MRXNPFEDSA-N 1 1 341.415 0.488 50 0 ECAAMO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000021548824 212232251 /nfs/dbraw/zinc/23/22/51/212232251.db2.gz YEUXHVGPRLNASR-UHFFFAOYSA-N 1 1 331.372 0.121 50 0 ECAAMO CCn1ccnc1CN1CC[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1C ZINC000229527298 242170945 /nfs/dbraw/zinc/17/09/45/242170945.db2.gz ICTYDDKPZFCCER-JKSUJKDBSA-N 1 1 332.452 0.667 50 0 ECAAMO C[NH+](C)CCNCc1cc(Br)ccc1OCC(N)=O ZINC000019872491 212077121 /nfs/dbraw/zinc/07/71/21/212077121.db2.gz UPPZJDBXCFXTAN-UHFFFAOYSA-N 1 1 330.226 0.964 50 0 ECAAMO CCN1CC[NH+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019790669 212068023 /nfs/dbraw/zinc/06/80/23/212068023.db2.gz MUYVSKDKTTWJSF-CVEARBPZSA-N 1 1 336.432 0.841 50 0 ECAAMO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000078922891 217148480 /nfs/dbraw/zinc/14/84/80/217148480.db2.gz VCLSSLMAUCMUKP-NVXWUHKLSA-N 1 1 333.432 0.827 50 0 ECAAMO CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000078922891 217148483 /nfs/dbraw/zinc/14/84/83/217148483.db2.gz VCLSSLMAUCMUKP-NVXWUHKLSA-N 1 1 333.432 0.827 50 0 ECAAMO Cc1nc2ncc3c(ccn(CCC[NH+]4CCOCC4)c3=O)n2n1 ZINC000013638718 211596923 /nfs/dbraw/zinc/59/69/23/211596923.db2.gz OMZNCZSRKQLXAD-UHFFFAOYSA-N 1 1 328.376 0.470 50 0 ECAAMO COc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)ccc1C ZINC000091518966 218016879 /nfs/dbraw/zinc/01/68/79/218016879.db2.gz MACCCSVDOQFMAM-HZPDHXFCSA-N 1 1 336.432 0.608 50 0 ECAAMO CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011873429 211260737 /nfs/dbraw/zinc/26/07/37/211260737.db2.gz ANYUCDVJJIWGSH-HNNXBMFYSA-N 1 1 333.436 0.544 50 0 ECAAMO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1CO ZINC000091664552 218042805 /nfs/dbraw/zinc/04/28/05/218042805.db2.gz AYFSGLBJJJBRSH-HUUCEWRRSA-N 1 1 329.404 0.714 50 0 ECAAMO COCC[N@H+](C)CC(=O)N[C@H]1CN(c2nccnc2C)C[C@@H]1C1CC1 ZINC000092077961 218116184 /nfs/dbraw/zinc/11/61/84/218116184.db2.gz FIVQKYXILLATJF-CVEARBPZSA-N 1 1 347.463 0.694 50 0 ECAAMO COCC[N@@H+](C)CC(=O)N[C@H]1CN(c2nccnc2C)C[C@@H]1C1CC1 ZINC000092077961 218116186 /nfs/dbraw/zinc/11/61/86/218116186.db2.gz FIVQKYXILLATJF-CVEARBPZSA-N 1 1 347.463 0.694 50 0 ECAAMO CCCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCCO)n(C)c1=O ZINC000010386996 211170014 /nfs/dbraw/zinc/17/00/14/211170014.db2.gz RDFNATMJVMOWRG-UHFFFAOYSA-N 1 1 348.407 0.275 50 0 ECAAMO O=C([C@H]1CCC(=O)NC(=O)N1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097492515 219029547 /nfs/dbraw/zinc/02/95/47/219029547.db2.gz DXNLPPNJDVONJI-OAHLLOKOSA-N 1 1 344.415 0.362 50 0 ECAAMO COc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cc1OCC[NH3+] ZINC000426425120 254786355 /nfs/dbraw/zinc/78/63/55/254786355.db2.gz CFTDGSUCPRKCJX-GJZGRUSLSA-N 1 1 349.431 0.626 50 0 ECAAMO Cc1csc([C@H]2COCCN2CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000282485936 258012792 /nfs/dbraw/zinc/01/27/92/258012792.db2.gz MBQJOVNEKUNZOX-CQSZACIVSA-N 1 1 338.477 0.989 50 0 ECAAMO O=C(CCC[NH+]1CCOCC1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299762851 258079100 /nfs/dbraw/zinc/07/91/00/258079100.db2.gz CCBVHOGOZARGDC-GJZGRUSLSA-N 1 1 335.408 0.063 50 0 ECAAMO Cc1nnc(SCC(=O)NCCCOC2CC[NH+](C)CC2)[nH]1 ZINC000299765660 258081013 /nfs/dbraw/zinc/08/10/13/258081013.db2.gz BMANBJRXVYHSGN-UHFFFAOYSA-N 1 1 327.454 0.822 50 0 ECAAMO Cc1n[nH]c(SCC(=O)NCCCOC2CC[NH+](C)CC2)n1 ZINC000299765660 258081015 /nfs/dbraw/zinc/08/10/15/258081015.db2.gz BMANBJRXVYHSGN-UHFFFAOYSA-N 1 1 327.454 0.822 50 0 ECAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)n1ccnc1 ZINC000051084220 132179801 /nfs/dbraw/zinc/17/98/01/132179801.db2.gz YXPRRCVSMXOTMP-HNNXBMFYSA-N 1 1 343.435 0.563 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000106581668 292181895 /nfs/dbraw/zinc/18/18/95/292181895.db2.gz XJBKOJNCJWIFLW-ZIAGYGMSSA-N 1 1 339.461 0.859 50 0 ECAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000106581668 292181900 /nfs/dbraw/zinc/18/19/00/292181900.db2.gz XJBKOJNCJWIFLW-ZIAGYGMSSA-N 1 1 339.461 0.859 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000190367803 165020758 /nfs/dbraw/zinc/02/07/58/165020758.db2.gz GXQIZKSQFREMBV-OAHLLOKOSA-N 1 1 344.481 0.646 50 0 ECAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000045407372 287350953 /nfs/dbraw/zinc/35/09/53/287350953.db2.gz TYTAVPXHSNAMDK-CYBMUJFWSA-N 1 1 346.497 0.442 50 0 ECAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000242196959 277108256 /nfs/dbraw/zinc/10/82/56/277108256.db2.gz XGMFMESTILZGDU-BNOWGMLFSA-N 1 1 335.404 0.390 50 0 ECAAMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000242196959 277108257 /nfs/dbraw/zinc/10/82/57/277108257.db2.gz XGMFMESTILZGDU-BNOWGMLFSA-N 1 1 335.404 0.390 50 0 ECAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095368005 277209024 /nfs/dbraw/zinc/20/90/24/277209024.db2.gz WHGWDEGUGUXVHF-OAHLLOKOSA-N 1 1 337.445 0.147 50 0 ECAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095368005 277209026 /nfs/dbraw/zinc/20/90/26/277209026.db2.gz WHGWDEGUGUXVHF-OAHLLOKOSA-N 1 1 337.445 0.147 50 0 ECAAMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069700714 435959112 /nfs/dbraw/zinc/95/91/12/435959112.db2.gz QZWOQKFNSYXODI-LLVKDONJSA-N 1 1 330.392 0.658 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069699912 435960114 /nfs/dbraw/zinc/96/01/14/435960114.db2.gz SBNNSZOYRYYPPH-HNNXBMFYSA-N 1 1 331.424 0.525 50 0 ECAAMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069699912 435960117 /nfs/dbraw/zinc/96/01/17/435960117.db2.gz SBNNSZOYRYYPPH-HNNXBMFYSA-N 1 1 331.424 0.525 50 0 ECAAMO Cc1ccc(N2CCC[C@H]([N@@H+](C)C[C@H](O)CN3CCOCC3)C2)nn1 ZINC000069775446 435964825 /nfs/dbraw/zinc/96/48/25/435964825.db2.gz WJDDNEJDVSANSA-IRXDYDNUSA-N 1 1 349.479 0.379 50 0 ECAAMO CC[NH+](CC)C[C@H](O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000002500837 435966893 /nfs/dbraw/zinc/96/68/93/435966893.db2.gz VTQHWGQDRGPOKV-GFCCVEGCSA-N 1 1 325.434 0.770 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000069878249 435974128 /nfs/dbraw/zinc/97/41/28/435974128.db2.gz DLWYWOHDIUNPOQ-ZDUSSCGKSA-N 1 1 345.403 0.589 50 0 ECAAMO Cc1ccc(F)c(-n2nnnc2C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069948476 435976526 /nfs/dbraw/zinc/97/65/26/435976526.db2.gz BFBLVCORAYTCKS-NSHDSACASA-N 1 1 328.355 0.806 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 ZINC000069927975 435977551 /nfs/dbraw/zinc/97/75/51/435977551.db2.gz PTAJITODQBDHRE-UHFFFAOYSA-N 1 1 346.431 0.745 50 0 ECAAMO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000069586622 435950907 /nfs/dbraw/zinc/95/09/07/435950907.db2.gz QWDMMQKLXTVZBT-GDBMZVCRSA-N 1 1 333.432 0.523 50 0 ECAAMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H]1CCCN1c1cccnn1 ZINC000071860035 436017222 /nfs/dbraw/zinc/01/72/22/436017222.db2.gz GFURMOPRCSPIAW-CYBMUJFWSA-N 1 1 346.435 0.708 50 0 ECAAMO COc1ccc(CCNC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000071877435 436023391 /nfs/dbraw/zinc/02/33/91/436023391.db2.gz XFAVNUBIEQSDFY-JKSUJKDBSA-N 1 1 349.475 0.741 50 0 ECAAMO Cc1nc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)co1 ZINC000072140364 436034322 /nfs/dbraw/zinc/03/43/22/436034322.db2.gz ALNPETHODMOBSP-GOSISDBHSA-N 1 1 340.383 0.959 50 0 ECAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000072268765 436036583 /nfs/dbraw/zinc/03/65/83/436036583.db2.gz ZSACBTZXFHFQBT-IXDOHACOSA-N 1 1 339.480 0.545 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCc1ccco1 ZINC000009980447 436037673 /nfs/dbraw/zinc/03/76/73/436037673.db2.gz RDRRVGOIWISXIH-CQSZACIVSA-N 1 1 335.404 0.467 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCc1ccco1 ZINC000009980447 436037679 /nfs/dbraw/zinc/03/76/79/436037679.db2.gz RDRRVGOIWISXIH-CQSZACIVSA-N 1 1 335.404 0.467 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)NCc1ccco1 ZINC000009980440 436038043 /nfs/dbraw/zinc/03/80/43/436038043.db2.gz RDRRVGOIWISXIH-AWEZNQCLSA-N 1 1 335.404 0.467 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)NCc1ccco1 ZINC000009980440 436038048 /nfs/dbraw/zinc/03/80/48/436038048.db2.gz RDRRVGOIWISXIH-AWEZNQCLSA-N 1 1 335.404 0.467 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000072302227 436042970 /nfs/dbraw/zinc/04/29/70/436042970.db2.gz FLIHMKPRQJRVKV-UHFFFAOYSA-N 1 1 337.383 0.829 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000072302227 436042974 /nfs/dbraw/zinc/04/29/74/436042974.db2.gz FLIHMKPRQJRVKV-UHFFFAOYSA-N 1 1 337.383 0.829 50 0 ECAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+]Cc2ccco2)cc1 ZINC000006226142 435996201 /nfs/dbraw/zinc/99/62/01/435996201.db2.gz OZELIYLLUKUGML-UHFFFAOYSA-N 1 1 337.401 0.376 50 0 ECAAMO Cc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1 ZINC000017290139 436100799 /nfs/dbraw/zinc/10/07/99/436100799.db2.gz UAYFIEZKKOURRP-UHFFFAOYSA-N 1 1 344.415 0.598 50 0 ECAAMO Cc1ccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1 ZINC000017290139 436100806 /nfs/dbraw/zinc/10/08/06/436100806.db2.gz UAYFIEZKKOURRP-UHFFFAOYSA-N 1 1 344.415 0.598 50 0 ECAAMO CCc1ccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016564403 436093911 /nfs/dbraw/zinc/09/39/11/436093911.db2.gz FELCVHHDCXGYPP-UHFFFAOYSA-N 1 1 344.415 0.543 50 0 ECAAMO CCc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000016564403 436093916 /nfs/dbraw/zinc/09/39/16/436093916.db2.gz FELCVHHDCXGYPP-UHFFFAOYSA-N 1 1 344.415 0.543 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccs1 ZINC000016586790 436095286 /nfs/dbraw/zinc/09/52/86/436095286.db2.gz HWKIUFAHQGEEFE-SECBINFHSA-N 1 1 336.417 0.431 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccs1 ZINC000016586790 436095294 /nfs/dbraw/zinc/09/52/94/436095294.db2.gz HWKIUFAHQGEEFE-SECBINFHSA-N 1 1 336.417 0.431 50 0 ECAAMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000022199525 436117121 /nfs/dbraw/zinc/11/71/21/436117121.db2.gz ANFNLNOJMHPOKC-UHFFFAOYSA-N 1 1 336.411 0.860 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)CC1 ZINC000076055813 436187545 /nfs/dbraw/zinc/18/75/45/436187545.db2.gz OOWXGPIVLZEOON-PBHICJAKSA-N 1 1 336.480 0.339 50 0 ECAAMO O[C@]1(C[NH2+]CCc2nccc(-c3ccccc3)n2)CNCCOC1 ZINC000077299682 436230233 /nfs/dbraw/zinc/23/02/33/436230233.db2.gz VNCIFZBJJPLSBS-GOSISDBHSA-N 1 1 328.416 0.627 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000031806771 436233173 /nfs/dbraw/zinc/23/31/73/436233173.db2.gz WMZNMGXRDNVSSR-UHFFFAOYSA-N 1 1 330.388 0.945 50 0 ECAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1F)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032811211 436244371 /nfs/dbraw/zinc/24/43/71/436244371.db2.gz IZQRRXKVRNPTAP-NXEZZACHSA-N 1 1 348.378 0.727 50 0 ECAAMO O=C(CC[N@@H+]1CCO[C@@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893819 436282352 /nfs/dbraw/zinc/28/23/52/436282352.db2.gz FSQXQCXRTNZLCK-HNNXBMFYSA-N 1 1 333.436 0.992 50 0 ECAAMO O=C(CC[N@H+]1CCO[C@@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893819 436282354 /nfs/dbraw/zinc/28/23/54/436282354.db2.gz FSQXQCXRTNZLCK-HNNXBMFYSA-N 1 1 333.436 0.992 50 0 ECAAMO Cn1ncc(C(=O)NCCCCN2CC[NH+](C)CC2)c1-n1cccc1 ZINC000042752127 436317375 /nfs/dbraw/zinc/31/73/75/436317375.db2.gz HELRZSZGJWMHPA-UHFFFAOYSA-N 1 1 344.463 0.968 50 0 ECAAMO O=C(CCO)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082109724 436360809 /nfs/dbraw/zinc/36/08/09/436360809.db2.gz WZXUAYOODNWRPB-HNNXBMFYSA-N 1 1 337.464 0.694 50 0 ECAAMO CNC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000084597400 436381948 /nfs/dbraw/zinc/38/19/48/436381948.db2.gz SNVKYKZXALUPLE-SFHVURJKSA-N 1 1 344.415 0.951 50 0 ECAAMO CNC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000084597400 436381952 /nfs/dbraw/zinc/38/19/52/436381952.db2.gz SNVKYKZXALUPLE-SFHVURJKSA-N 1 1 344.415 0.951 50 0 ECAAMO CC[C@@H]1CN(C(=O)COCc2nc(C)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735863 436384577 /nfs/dbraw/zinc/38/45/77/436384577.db2.gz VFXFXBZDMKQJKA-KGLIPLIRSA-N 1 1 338.408 0.464 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046140901 436387368 /nfs/dbraw/zinc/38/73/68/436387368.db2.gz NODMUQBBXNSPAU-UHFFFAOYSA-N 1 1 325.434 0.384 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000089300490 436408171 /nfs/dbraw/zinc/40/81/71/436408171.db2.gz UBRUOXWHEQWTTQ-CQSZACIVSA-N 1 1 343.497 0.547 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000089300490 436408174 /nfs/dbraw/zinc/40/81/74/436408174.db2.gz UBRUOXWHEQWTTQ-CQSZACIVSA-N 1 1 343.497 0.547 50 0 ECAAMO CN(Cc1ccncc1)C(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044967807 436357366 /nfs/dbraw/zinc/35/73/66/436357366.db2.gz NOYYQIYALTYAIC-SJORKVTESA-N 1 1 348.447 0.960 50 0 ECAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc3nccnc3n2)CC1 ZINC000089794173 436417182 /nfs/dbraw/zinc/41/71/82/436417182.db2.gz DBNCXNCBQPWVRK-CQSZACIVSA-N 1 1 326.404 0.943 50 0 ECAAMO O=C(NCc1ccoc1)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000089885142 436418581 /nfs/dbraw/zinc/41/85/81/436418581.db2.gz CQOONXNOGLSVTH-OAHLLOKOSA-N 1 1 336.436 0.733 50 0 ECAAMO COc1cccc([C@H]2C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000093080284 436482100 /nfs/dbraw/zinc/48/21/00/436482100.db2.gz KFFPIHXUTSAYKL-MRXNPFEDSA-N 1 1 345.399 0.666 50 0 ECAAMO COc1cccc([C@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000093080284 436482102 /nfs/dbraw/zinc/48/21/02/436482102.db2.gz KFFPIHXUTSAYKL-MRXNPFEDSA-N 1 1 345.399 0.666 50 0 ECAAMO CCc1cc(N2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)nc(N(C)C)n1 ZINC000095510852 436497626 /nfs/dbraw/zinc/49/76/26/436497626.db2.gz BSKAMTLTLBWKQX-HNNXBMFYSA-N 1 1 346.479 0.942 50 0 ECAAMO C[N@@H+](CCO)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 ZINC000095994410 436503767 /nfs/dbraw/zinc/50/37/67/436503767.db2.gz UIAUAYDSNVYKAX-UHFFFAOYSA-N 1 1 349.431 0.097 50 0 ECAAMO COCC(=O)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000096279829 436530410 /nfs/dbraw/zinc/53/04/10/436530410.db2.gz QTDNIWUOXFRBRH-IRXDYDNUSA-N 1 1 345.443 0.649 50 0 ECAAMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000097200907 436542081 /nfs/dbraw/zinc/54/20/81/436542081.db2.gz SCRQUVPHRHGFLD-AWEZNQCLSA-N 1 1 343.431 0.721 50 0 ECAAMO Cc1ccccc1C[N@H+]1CCN(C(=O)CN2CCCC2=O)C[C@@H](O)C1 ZINC000097815266 436543917 /nfs/dbraw/zinc/54/39/17/436543917.db2.gz KEMQGPYBKYXQOB-KRWDZBQOSA-N 1 1 345.443 0.623 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058407688 436625016 /nfs/dbraw/zinc/62/50/16/436625016.db2.gz CYIOLAZFRAGHIQ-HNNXBMFYSA-N 1 1 337.445 0.789 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058407688 436625018 /nfs/dbraw/zinc/62/50/18/436625018.db2.gz CYIOLAZFRAGHIQ-HNNXBMFYSA-N 1 1 337.445 0.789 50 0 ECAAMO O=c1[nH]c2ccccc2c(=O)n1C[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058405291 436625584 /nfs/dbraw/zinc/62/55/84/436625584.db2.gz BCZGKGRTPCXKJO-CZUORRHYSA-N 1 1 345.399 0.427 50 0 ECAAMO COCCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000106859956 436602875 /nfs/dbraw/zinc/60/28/75/436602875.db2.gz CIIOPLDBKDKVGT-DLBZAZTESA-N 1 1 345.443 0.997 50 0 ECAAMO COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC000106859956 436602878 /nfs/dbraw/zinc/60/28/78/436602878.db2.gz CIIOPLDBKDKVGT-DLBZAZTESA-N 1 1 345.443 0.997 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@@H]2C)CC1 ZINC000107141972 436608743 /nfs/dbraw/zinc/60/87/43/436608743.db2.gz ZMRCDSKEYRIUIT-GRDNDAEWSA-N 1 1 336.480 0.386 50 0 ECAAMO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000107420054 436611416 /nfs/dbraw/zinc/61/14/16/436611416.db2.gz FLIGRLRCNTUXJA-MRXNPFEDSA-N 1 1 337.445 0.662 50 0 ECAAMO C[N@H+]1CCN(S(=O)(=O)c2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000107420054 436611417 /nfs/dbraw/zinc/61/14/17/436611417.db2.gz FLIGRLRCNTUXJA-MRXNPFEDSA-N 1 1 337.445 0.662 50 0 ECAAMO Cc1ccc(N2CCC[N@@H+](C[C@H](O)CN3CCCC3=O)CC2)nn1 ZINC000111690316 436631557 /nfs/dbraw/zinc/63/15/57/436631557.db2.gz NPYCXIUWXBZIAU-HNNXBMFYSA-N 1 1 333.436 0.280 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n(C)c1 ZINC000060573374 436633882 /nfs/dbraw/zinc/63/38/82/436633882.db2.gz PINPFNJLCVIFLF-STQMWFEESA-N 1 1 340.449 0.290 50 0 ECAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ncc(F)cc1F)CC2 ZINC000221276678 436700502 /nfs/dbraw/zinc/70/05/02/436700502.db2.gz DDTUETKKLWNSSJ-UHFFFAOYSA-N 1 1 338.358 0.786 50 0 ECAAMO COc1cncc(O[C@H]2CCCN(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000225501209 436711205 /nfs/dbraw/zinc/71/12/05/436711205.db2.gz HOQPNSNYPQXNPO-ZDUSSCGKSA-N 1 1 335.408 0.696 50 0 ECAAMO CS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000065443986 436660831 /nfs/dbraw/zinc/66/08/31/436660831.db2.gz QBKVHIKOCNDDJX-ZIAGYGMSSA-N 1 1 344.481 0.336 50 0 ECAAMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000065449034 436661886 /nfs/dbraw/zinc/66/18/86/436661886.db2.gz KTPIMMLNADJIFD-ZDUSSCGKSA-N 1 1 339.461 0.489 50 0 ECAAMO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000065532741 436666414 /nfs/dbraw/zinc/66/64/14/436666414.db2.gz YNKFGTGAIQDPMK-KBPBESRZSA-N 1 1 349.497 0.826 50 0 ECAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000065553408 436667323 /nfs/dbraw/zinc/66/73/23/436667323.db2.gz LOLBNTMCOYQMPL-UHFFFAOYSA-N 1 1 330.388 0.191 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065610310 436668846 /nfs/dbraw/zinc/66/88/46/436668846.db2.gz FSKUOCYHKMUTRH-UPJWGTAASA-N 1 1 326.441 0.391 50 0 ECAAMO CN1C(=O)COc2ccc(C(=O)NCC[C@@H]3C[N@H+](C)CCO3)cc21 ZINC000067696128 436720231 /nfs/dbraw/zinc/72/02/31/436720231.db2.gz YKEDXRIZCREEDZ-CYBMUJFWSA-N 1 1 333.388 0.492 50 0 ECAAMO CN1C(=O)COc2ccc(C(=O)NCC[C@@H]3C[N@@H+](C)CCO3)cc21 ZINC000067696128 436720233 /nfs/dbraw/zinc/72/02/33/436720233.db2.gz YKEDXRIZCREEDZ-CYBMUJFWSA-N 1 1 333.388 0.492 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC000239591411 436757872 /nfs/dbraw/zinc/75/78/72/436757872.db2.gz BBHFAZNWGKEEPK-QLFBSQMISA-N 1 1 338.452 0.979 50 0 ECAAMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)nn1 ZINC000253419542 436844365 /nfs/dbraw/zinc/84/43/65/436844365.db2.gz OTNIWLJENGOFGK-JTQLQIEISA-N 1 1 335.389 0.672 50 0 ECAAMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C(N)=O)cs3)C2)nn1 ZINC000253419542 436844371 /nfs/dbraw/zinc/84/43/71/436844371.db2.gz OTNIWLJENGOFGK-JTQLQIEISA-N 1 1 335.389 0.672 50 0 ECAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000253603703 436848541 /nfs/dbraw/zinc/84/85/41/436848541.db2.gz KJBJDOPXJSOAIB-ZBFHGGJFSA-N 1 1 347.463 0.768 50 0 ECAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000252481609 436834336 /nfs/dbraw/zinc/83/43/36/436834336.db2.gz CPBYFEHMGVXXOZ-KRWDZBQOSA-N 1 1 335.404 0.323 50 0 ECAAMO O=C(Nc1nc2ccccn2n1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133482049 436879570 /nfs/dbraw/zinc/87/95/70/436879570.db2.gz RCTWXALGSQRCAD-ZDUSSCGKSA-N 1 1 330.392 0.915 50 0 ECAAMO CCC(CC)[C@@H](C(=O)NC1CN(C(=O)OC)C1)[NH+]1CCOCC1 ZINC000170680544 436949027 /nfs/dbraw/zinc/94/90/27/436949027.db2.gz MTLDYCQXIXUZCD-AWEZNQCLSA-N 1 1 327.425 0.690 50 0 ECAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000331467760 437101325 /nfs/dbraw/zinc/10/13/25/437101325.db2.gz QYJDBQYGBRUSED-ZDUSSCGKSA-N 1 1 349.416 0.539 50 0 ECAAMO CC(C)n1cnc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000328586548 437236750 /nfs/dbraw/zinc/23/67/50/437236750.db2.gz CSGSLAMVIMZODF-HNNXBMFYSA-N 1 1 333.436 0.843 50 0 ECAAMO Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]c(=O)n1 ZINC000182692501 437357445 /nfs/dbraw/zinc/35/74/45/437357445.db2.gz GKRVCKMUYSANKR-AWEZNQCLSA-N 1 1 328.372 0.918 50 0 ECAAMO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]c(=O)n1 ZINC000182692501 437357447 /nfs/dbraw/zinc/35/74/47/437357447.db2.gz GKRVCKMUYSANKR-AWEZNQCLSA-N 1 1 328.372 0.918 50 0 ECAAMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192231929 437672981 /nfs/dbraw/zinc/67/29/81/437672981.db2.gz QRWGJINZAAHRJB-HNNXBMFYSA-N 1 1 334.420 0.323 50 0 ECAAMO C[N@H+](CCc1nccs1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193447645 437708665 /nfs/dbraw/zinc/70/86/65/437708665.db2.gz PATACZHVLPLYGZ-UHFFFAOYSA-N 1 1 346.460 0.756 50 0 ECAAMO C[N@@H+](CCc1nccs1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000193447645 437708673 /nfs/dbraw/zinc/70/86/73/437708673.db2.gz PATACZHVLPLYGZ-UHFFFAOYSA-N 1 1 346.460 0.756 50 0 ECAAMO Nc1nc(NCc2nnc(-c3ccncc3)[nH]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426442552 438059397 /nfs/dbraw/zinc/05/93/97/438059397.db2.gz NHJUTSGZTPDCCN-NSHDSACASA-N 1 1 338.375 0.777 50 0 ECAAMO Cn1cc(Cl)c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000426510113 438062824 /nfs/dbraw/zinc/06/28/24/438062824.db2.gz KHHDGFMYGNHOEF-UHFFFAOYSA-N 1 1 339.827 0.500 50 0 ECAAMO CO[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2COC[C@H]2O)N(C(=O)OC(C)(C)C)C1 ZINC000583650752 439495711 /nfs/dbraw/zinc/49/57/11/439495711.db2.gz AGLNWIJICHPWPP-REWJHTLYSA-N 1 1 330.425 0.702 50 0 ECAAMO CO[C@]12CC[N@@H+](CC(N)=O)[C@H]1C[C@H](NC(=O)c1ccccc1)CC2 ZINC000534576669 439529395 /nfs/dbraw/zinc/52/93/95/439529395.db2.gz SMGLWUGAAKOXNU-RVKKMQEKSA-N 1 1 331.416 0.914 50 0 ECAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000173106074 320517908 /nfs/dbraw/zinc/51/79/08/320517908.db2.gz RPKUOUIXGYFZHH-INIZCTEOSA-N 1 1 343.431 0.855 50 0 ECAAMO C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)CC1 ZINC000215140957 545919334 /nfs/dbraw/zinc/91/93/34/545919334.db2.gz IBAGVFBWBTUAGS-MRXNPFEDSA-N 1 1 333.432 0.972 50 0 ECAAMO C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)CC1 ZINC000215140957 545919337 /nfs/dbraw/zinc/91/93/37/545919337.db2.gz IBAGVFBWBTUAGS-MRXNPFEDSA-N 1 1 333.432 0.972 50 0 ECAAMO CCc1nc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](CO)C2)c[nH]1 ZINC000670457280 548015671 /nfs/dbraw/zinc/01/56/71/548015671.db2.gz PLUKIXIOHHYCMS-LBPRGKRZSA-N 1 1 330.454 0.345 50 0 ECAAMO C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981799 612139833 /nfs/dbraw/zinc/13/98/33/612139833.db2.gz VFLVXBGGLGKEPA-ZBFHGGJFSA-N 1 1 346.475 0.997 50 0 ECAAMO Cc1nnc([C@H]2CC[N@@H+](CCCO)CCN2CC2CCOCC2)[nH]1 ZINC000675013365 741330753 /nfs/dbraw/zinc/33/07/53/741330753.db2.gz KTYBJPOTBMAEAZ-MRXNPFEDSA-N 1 1 337.468 0.971 50 0 ECAAMO Cc1nnc([C@@H]2CC[N@@H+](CCCO)CCN2CC2CCOCC2)[nH]1 ZINC000675013364 741330834 /nfs/dbraw/zinc/33/08/34/741330834.db2.gz KTYBJPOTBMAEAZ-INIZCTEOSA-N 1 1 337.468 0.971 50 0 ECAAMO Cn1cc(C(=O)NC2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000052904095 214153236 /nfs/dbraw/zinc/15/32/36/214153236.db2.gz UEHYZDZUCVWCIS-INIZCTEOSA-N 1 1 341.415 0.841 50 0 ECAAMO CN(Cc1ccc(Br)o1)C(=O)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000052962176 214157630 /nfs/dbraw/zinc/15/76/30/214157630.db2.gz PIIABAAXEQUDAG-SECBINFHSA-N 1 1 344.209 0.808 50 0 ECAAMO Cc1nccn1CC1(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000055200051 214288930 /nfs/dbraw/zinc/28/89/30/214288930.db2.gz FVLLSJGKMSRUQU-AWEZNQCLSA-N 1 1 333.436 0.285 50 0 ECAAMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056302502 214370088 /nfs/dbraw/zinc/37/00/88/214370088.db2.gz KMQXBIFHYGSWPN-LBPRGKRZSA-N 1 1 336.417 0.033 50 0 ECAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2=O)cc1 ZINC000100120917 219091967 /nfs/dbraw/zinc/09/19/67/219091967.db2.gz WTOWAUXVBGYRCO-ZIAGYGMSSA-N 1 1 331.372 0.585 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccn3)C2)cn1C ZINC000067840515 215225527 /nfs/dbraw/zinc/22/55/27/215225527.db2.gz QEPPPUFJMHIZDS-AWEZNQCLSA-N 1 1 349.460 0.924 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccn3)C2)cn1C ZINC000067840515 215225530 /nfs/dbraw/zinc/22/55/30/215225530.db2.gz QEPPPUFJMHIZDS-AWEZNQCLSA-N 1 1 349.460 0.924 50 0 ECAAMO CC[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(C(=O)NC)c2)C1 ZINC000067956004 215259553 /nfs/dbraw/zinc/25/95/53/215259553.db2.gz SIXIUVWJNMQCKA-GFCCVEGCSA-N 1 1 325.434 0.666 50 0 ECAAMO CC[C@](C)(CNC(=O)c1cccc(-n2cnnn2)c1)[NH+]1CCOCC1 ZINC000040539004 213341669 /nfs/dbraw/zinc/34/16/69/213341669.db2.gz UDMHGQLKRSMNAY-QGZVFWFLSA-N 1 1 344.419 0.893 50 0 ECAAMO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H]1COc2ccccc2O1 ZINC000040477854 213314565 /nfs/dbraw/zinc/31/45/65/213314565.db2.gz GQQYIOYITUPIOT-AWEZNQCLSA-N 1 1 345.399 0.746 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000069844253 215601806 /nfs/dbraw/zinc/60/18/06/215601806.db2.gz IVGDNDRJJMWVLS-ZDUSSCGKSA-N 1 1 349.456 0.650 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000071881110 215916202 /nfs/dbraw/zinc/91/62/02/215916202.db2.gz XKGSEAGCUUMFPC-CQSZACIVSA-N 1 1 344.415 0.312 50 0 ECAAMO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc4n(n3)CCNC4)CC2)O1 ZINC000072131016 216020134 /nfs/dbraw/zinc/02/01/34/216020134.db2.gz OVOUZIRNDMFXQL-KRWDZBQOSA-N 1 1 347.463 0.636 50 0 ECAAMO COCC1(C(=O)N2CC[NH2+]C[C@H]2C(=O)NCc2ccncc2)CCC1 ZINC000072157146 216046635 /nfs/dbraw/zinc/04/66/35/216046635.db2.gz FYTMOPHZZPXUMP-HNNXBMFYSA-N 1 1 346.431 0.315 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cn1 ZINC000072279768 216107663 /nfs/dbraw/zinc/10/76/63/216107663.db2.gz GLNOXILRUWBCRW-UHFFFAOYSA-N 1 1 332.408 0.063 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cn1 ZINC000072279768 216107665 /nfs/dbraw/zinc/10/76/65/216107665.db2.gz GLNOXILRUWBCRW-UHFFFAOYSA-N 1 1 332.408 0.063 50 0 ECAAMO Nc1nc2c(c(NCc3n[nH]c(-c4ccncc4)n3)n1)CC[NH2+]CC2 ZINC000072411797 216203508 /nfs/dbraw/zinc/20/35/08/216203508.db2.gz VTWYIXKPSICPFA-UHFFFAOYSA-N 1 1 337.391 0.539 50 0 ECAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000072478671 216257294 /nfs/dbraw/zinc/25/72/94/216257294.db2.gz WNOGMQYPTFEFBT-PHIMTYICSA-N 1 1 336.392 0.189 50 0 ECAAMO COc1ccc(OC)c(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)c1 ZINC000022782369 212323266 /nfs/dbraw/zinc/32/32/66/212323266.db2.gz OCVXWQULSDVZFV-AWEZNQCLSA-N 1 1 333.388 0.583 50 0 ECAAMO CN1CCN2CC[N@@H+](Cc3cc4ccccc4n(C)c3=O)C[C@H]2C1=O ZINC000216227731 241175547 /nfs/dbraw/zinc/17/55/47/241175547.db2.gz ARBSCIKRKHIKMM-KRWDZBQOSA-N 1 1 340.427 0.497 50 0 ECAAMO CN(C)c1ccc(CN2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000215564206 241131801 /nfs/dbraw/zinc/13/18/01/241131801.db2.gz UTWNYWOECTUFSH-UHFFFAOYSA-N 1 1 333.480 0.597 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000229745090 242193460 /nfs/dbraw/zinc/19/34/60/242193460.db2.gz PSJYVRYTPFSSMK-SQNIBIBYSA-N 1 1 348.443 0.716 50 0 ECAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000229745090 242193465 /nfs/dbraw/zinc/19/34/65/242193465.db2.gz PSJYVRYTPFSSMK-SQNIBIBYSA-N 1 1 348.443 0.716 50 0 ECAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000229749424 242196826 /nfs/dbraw/zinc/19/68/26/242196826.db2.gz XDLNVOWWPGJHNS-DGCLKSJQSA-N 1 1 335.404 0.516 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000229783201 242197530 /nfs/dbraw/zinc/19/75/30/242197530.db2.gz YHOHMGXMRHIHLW-JOYOIKCWSA-N 1 1 337.355 0.605 50 0 ECAAMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000229783201 242197533 /nfs/dbraw/zinc/19/75/33/242197533.db2.gz YHOHMGXMRHIHLW-JOYOIKCWSA-N 1 1 337.355 0.605 50 0 ECAAMO C[C@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000242273517 243015546 /nfs/dbraw/zinc/01/55/46/243015546.db2.gz YDIGVLOFIRDXEK-CABCVRRESA-N 1 1 341.477 0.352 50 0 ECAAMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1=COCCO1 ZINC000241911279 243004841 /nfs/dbraw/zinc/00/48/41/243004841.db2.gz UBESSXDRFQEFEX-HOTGVXAUSA-N 1 1 332.400 0.874 50 0 ECAAMO Cn1cc(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000020541175 212145828 /nfs/dbraw/zinc/14/58/28/212145828.db2.gz IPFXISIAFXGWKQ-INIZCTEOSA-N 1 1 333.480 0.885 50 0 ECAAMO Cn1cc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000020541173 212146209 /nfs/dbraw/zinc/14/62/09/212146209.db2.gz IPFXISIAFXGWKQ-MRXNPFEDSA-N 1 1 333.480 0.885 50 0 ECAAMO NC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019831767 212072897 /nfs/dbraw/zinc/07/28/97/212072897.db2.gz GIQGKDDKMHIWFL-UHFFFAOYSA-N 1 1 344.459 0.528 50 0 ECAAMO CC[NH+]1CCN(C2(C(=O)N3CC[C@H](O)C3)Cc3ccccc3C2)CC1 ZINC000019220618 212005954 /nfs/dbraw/zinc/00/59/54/212005954.db2.gz ZYETZHHZANCZHY-SFHVURJKSA-N 1 1 343.471 0.755 50 0 ECAAMO CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000016650865 211925510 /nfs/dbraw/zinc/92/55/10/211925510.db2.gz YYRWHNNLXFXKOE-UHFFFAOYSA-N 1 1 341.433 0.090 50 0 ECAAMO CCC(=O)N[C@H]1CCCN(CC[N@H+]2CCC[C@H](NC(=O)CC)C2)C1 ZINC000079354106 217214391 /nfs/dbraw/zinc/21/43/91/217214391.db2.gz JCGRMEHCWBGDMU-HOTGVXAUSA-N 1 1 338.496 0.968 50 0 ECAAMO COC[C@]1(O)CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1(C)C ZINC000091391201 218000491 /nfs/dbraw/zinc/00/04/91/218000491.db2.gz UNJDGADQSANGTA-QGZVFWFLSA-N 1 1 327.469 0.260 50 0 ECAAMO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC000091468840 218011095 /nfs/dbraw/zinc/01/10/95/218011095.db2.gz PHHKDFBPEKCULJ-OAHLLOKOSA-N 1 1 345.447 0.236 50 0 ECAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1N)C2 ZINC000091593408 218028611 /nfs/dbraw/zinc/02/86/11/218028611.db2.gz JKUPARZJFAURIM-UONOGXRCSA-N 1 1 331.420 0.175 50 0 ECAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1N)C2 ZINC000091593408 218028613 /nfs/dbraw/zinc/02/86/13/218028613.db2.gz JKUPARZJFAURIM-UONOGXRCSA-N 1 1 331.420 0.175 50 0 ECAAMO Cc1nccn1CCCC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091695117 218050301 /nfs/dbraw/zinc/05/03/01/218050301.db2.gz ZJYGRWKATFKRJP-SFHVURJKSA-N 1 1 347.463 0.785 50 0 ECAAMO CC(C)c1nc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)cs1 ZINC000092002860 218102024 /nfs/dbraw/zinc/10/20/24/218102024.db2.gz DYEGKHPEVOEXLE-CHWSQXEVSA-N 1 1 341.477 0.871 50 0 ECAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 ZINC000092003899 218102198 /nfs/dbraw/zinc/10/21/98/218102198.db2.gz KZWZZWKAURYGSU-CHWSQXEVSA-N 1 1 330.392 0.307 50 0 ECAAMO CSCc1nc(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)cs1 ZINC000092099826 218119689 /nfs/dbraw/zinc/11/96/89/218119689.db2.gz HJORPCHKLIYZJE-JTQLQIEISA-N 1 1 342.490 0.820 50 0 ECAAMO CSCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)o1 ZINC000092106781 218121256 /nfs/dbraw/zinc/12/12/56/218121256.db2.gz SATGBDVRZWTSFM-CHWSQXEVSA-N 1 1 342.461 0.747 50 0 ECAAMO CN(C)C(=O)N1CCC[C@@H](c2nc(CN3CC[NH+](C)CC3)no2)C1 ZINC000095382561 218315091 /nfs/dbraw/zinc/31/50/91/218315091.db2.gz IKVUXMYHMULISC-CYBMUJFWSA-N 1 1 336.440 0.678 50 0 ECAAMO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)cc(=O)[nH]1 ZINC000095390239 218321750 /nfs/dbraw/zinc/32/17/50/218321750.db2.gz CSZDVSTYMZUIOJ-ZDUSSCGKSA-N 1 1 334.420 0.586 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@@H]1C ZINC000095401940 218336340 /nfs/dbraw/zinc/33/63/40/218336340.db2.gz VYAMHVPBYPXKQZ-UONOGXRCSA-N 1 1 347.415 0.326 50 0 ECAAMO Cn1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)nc2ccccc2c1=O ZINC000095987406 218494017 /nfs/dbraw/zinc/49/40/17/218494017.db2.gz QJWUDBCQYCDJRY-CQSZACIVSA-N 1 1 328.416 0.840 50 0 ECAAMO O=C([O-])c1ccc(C[N@@H+]2CCCNCC[NH2+]CCCNCC2)cc1 ZINC000022440786 304241392 /nfs/dbraw/zinc/24/13/92/304241392.db2.gz GMOGICAFJFPMNS-UHFFFAOYSA-N 1 1 334.464 0.749 50 0 ECAAMO O=C([O-])c1ccc(C[N@H+]2CCCNCC[NH2+]CCCNCC2)cc1 ZINC000022440786 304241395 /nfs/dbraw/zinc/24/13/95/304241395.db2.gz GMOGICAFJFPMNS-UHFFFAOYSA-N 1 1 334.464 0.749 50 0 ECAAMO CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000245328688 258000158 /nfs/dbraw/zinc/00/01/58/258000158.db2.gz WJMNLNOOSIATJT-DYVFJYSZSA-N 1 1 328.372 0.058 50 0 ECAAMO CCCC[N@H+]1CCn2nc(CNc3cncc(C(N)=O)n3)cc2C1 ZINC000299775378 258085928 /nfs/dbraw/zinc/08/59/28/258085928.db2.gz BUHNLUFRGTXYOY-UHFFFAOYSA-N 1 1 329.408 1.000 50 0 ECAAMO Cn1c(=O)oc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc21 ZINC000299798246 258102377 /nfs/dbraw/zinc/10/23/77/258102377.db2.gz QTINDZLHYXLIKO-CYBMUJFWSA-N 1 1 333.388 0.708 50 0 ECAAMO c1c(CNc2ncccn2)nn2c1CN(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000299758431 258075918 /nfs/dbraw/zinc/07/59/18/258075918.db2.gz POSPPNQXOBCAMU-ZSHCYNCHSA-N 1 1 325.420 0.566 50 0 ECAAMO O=C([C@H]1CCC(=O)NC(=O)N1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000299767776 258082318 /nfs/dbraw/zinc/08/23/18/258082318.db2.gz KCBJWGPRTRLIIF-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO O=C([C@H]1CCC(=O)NC(=O)N1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000299767776 258082320 /nfs/dbraw/zinc/08/23/20/258082320.db2.gz KCBJWGPRTRLIIF-CQSZACIVSA-N 1 1 345.403 0.104 50 0 ECAAMO COc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000091847187 278093762 /nfs/dbraw/zinc/09/37/62/278093762.db2.gz KGSZRGCWAHKUJK-UONOGXRCSA-N 1 1 346.431 0.715 50 0 ECAAMO COc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000091847187 278093765 /nfs/dbraw/zinc/09/37/65/278093765.db2.gz KGSZRGCWAHKUJK-UONOGXRCSA-N 1 1 346.431 0.715 50 0 ECAAMO C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC000096008992 288192689 /nfs/dbraw/zinc/19/26/89/288192689.db2.gz VCCJTPDLBIAGIS-KFWWJZLASA-N 1 1 333.498 0.451 50 0 ECAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193358933 300322835 /nfs/dbraw/zinc/32/28/35/300322835.db2.gz BQMGVCYYOQIYQY-VIFPVBQESA-N 1 1 336.410 0.212 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCN1C[C@H](O)c1ccccc1 ZINC000069739788 435961264 /nfs/dbraw/zinc/96/12/64/435961264.db2.gz ADZJEZOVBSLDJU-NEWSRXKRSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069739788 435961271 /nfs/dbraw/zinc/96/12/71/435961271.db2.gz ADZJEZOVBSLDJU-NEWSRXKRSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069739788 435961274 /nfs/dbraw/zinc/96/12/74/435961274.db2.gz ADZJEZOVBSLDJU-NEWSRXKRSA-N 1 1 344.459 0.984 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000069739893 435963575 /nfs/dbraw/zinc/96/35/75/435963575.db2.gz LZESCHQCPHEHCI-AWEZNQCLSA-N 1 1 325.409 0.376 50 0 ECAAMO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000069774967 435964944 /nfs/dbraw/zinc/96/49/44/435964944.db2.gz WSJRTFWPMHZENJ-MELADBBJSA-N 1 1 345.509 0.893 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000069770765 435966542 /nfs/dbraw/zinc/96/65/42/435966542.db2.gz VHOYKKPYZDZBQZ-LSDHHAIUSA-N 1 1 333.436 0.523 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@H]1Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000069770765 435966546 /nfs/dbraw/zinc/96/65/46/435966546.db2.gz VHOYKKPYZDZBQZ-LSDHHAIUSA-N 1 1 333.436 0.523 50 0 ECAAMO Cc1nc2ccnn2c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000069844252 435966935 /nfs/dbraw/zinc/96/69/35/435966935.db2.gz ODWYKXFQASCOFP-ZDUSSCGKSA-N 1 1 345.447 0.804 50 0 ECAAMO CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1)N1CCOCC1 ZINC000069813457 435967153 /nfs/dbraw/zinc/96/71/53/435967153.db2.gz UHRPIQVMDBSNID-MRXNPFEDSA-N 1 1 349.479 0.575 50 0 ECAAMO COc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000069921450 435978143 /nfs/dbraw/zinc/97/81/43/435978143.db2.gz VXJHHSLQPACLOF-AWEZNQCLSA-N 1 1 348.447 0.633 50 0 ECAAMO COCC[N@@H+]1CCN(CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000069969182 435980726 /nfs/dbraw/zinc/98/07/26/435980726.db2.gz SHIJPCMETGGPQZ-INIZCTEOSA-N 1 1 335.448 0.834 50 0 ECAAMO COCC[N@H+]1CCN(CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000069969182 435980732 /nfs/dbraw/zinc/98/07/32/435980732.db2.gz SHIJPCMETGGPQZ-INIZCTEOSA-N 1 1 335.448 0.834 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070038405 435982967 /nfs/dbraw/zinc/98/29/67/435982967.db2.gz OKRUBVZUXDBNMI-OAHLLOKOSA-N 1 1 328.416 0.940 50 0 ECAAMO C[NH+]1CCN(NC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000005194216 435985320 /nfs/dbraw/zinc/98/53/20/435985320.db2.gz PJLOAZVXIZKGAO-ZDUSSCGKSA-N 1 1 335.383 0.393 50 0 ECAAMO O=S(=O)(NCC[N@@H+]1CCC[C@H]1Cn1cncn1)c1ccccc1 ZINC000069617584 435950590 /nfs/dbraw/zinc/95/05/90/435950590.db2.gz QKETWNXUGGQJBY-AWEZNQCLSA-N 1 1 335.433 0.721 50 0 ECAAMO O=S(=O)(NCC[N@H+]1CCC[C@H]1Cn1cncn1)c1ccccc1 ZINC000069617584 435950595 /nfs/dbraw/zinc/95/05/95/435950595.db2.gz QKETWNXUGGQJBY-AWEZNQCLSA-N 1 1 335.433 0.721 50 0 ECAAMO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069657963 435956693 /nfs/dbraw/zinc/95/66/93/435956693.db2.gz OQVKGIOWBJMRJO-HNNXBMFYSA-N 1 1 334.468 0.591 50 0 ECAAMO C[C@H]1NC(C(=O)N2CC[NH+](C3CC3)CC2)=NN(c2ccccc2)C1=O ZINC000071836677 436016406 /nfs/dbraw/zinc/01/64/06/436016406.db2.gz RBWJFVDFWUVAAE-CYBMUJFWSA-N 1 1 341.415 0.631 50 0 ECAAMO COc1nc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc2ccccc21 ZINC000071841323 436019504 /nfs/dbraw/zinc/01/95/04/436019504.db2.gz MZDHDTVOMJSFGR-UHFFFAOYSA-N 1 1 342.399 0.923 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)n2cc(Br)cn2)CC1 ZINC000071871327 436021063 /nfs/dbraw/zinc/02/10/63/436021063.db2.gz QRVFXGUDWGDPEN-GHMZBOCLSA-N 1 1 345.241 0.732 50 0 ECAAMO COc1ccc(CCNC(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000071877434 436023605 /nfs/dbraw/zinc/02/36/05/436023605.db2.gz XFAVNUBIEQSDFY-CVEARBPZSA-N 1 1 349.475 0.741 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000071881944 436025027 /nfs/dbraw/zinc/02/50/27/436025027.db2.gz RQSCTPNZWNJUAH-AWEZNQCLSA-N 1 1 336.388 0.571 50 0 ECAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000071882011 436025293 /nfs/dbraw/zinc/02/52/93/436025293.db2.gz GXSQJQHRAUFCAI-CYBMUJFWSA-N 1 1 332.404 0.718 50 0 ECAAMO CCN1C(=O)CN(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000071920484 436030192 /nfs/dbraw/zinc/03/01/92/436030192.db2.gz OAIOCIDSKNGXRQ-INIZCTEOSA-N 1 1 346.431 0.579 50 0 ECAAMO CC[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000072279781 436040355 /nfs/dbraw/zinc/04/03/55/436040355.db2.gz RQJDQMYCOLYLPY-GDBMZVCRSA-N 1 1 337.468 0.156 50 0 ECAAMO c1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)nn2nnnc12 ZINC000022357633 436117010 /nfs/dbraw/zinc/11/70/10/436117010.db2.gz JAIMDVVGVVIMLR-UHFFFAOYSA-N 1 1 325.376 0.964 50 0 ECAAMO Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2N1CCCCC1 ZINC000022664734 436118334 /nfs/dbraw/zinc/11/83/34/436118334.db2.gz QFYAEUPUUJINGO-UHFFFAOYSA-N 1 1 345.451 0.468 50 0 ECAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000074291267 436119523 /nfs/dbraw/zinc/11/95/23/436119523.db2.gz FRKNQFHHIWCMPW-UHFFFAOYSA-N 1 1 327.454 0.270 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000076047323 436186884 /nfs/dbraw/zinc/18/68/84/436186884.db2.gz GBFHMIDHDLKMQN-OCCSQVGLSA-N 1 1 337.424 0.131 50 0 ECAAMO Cc1nc(CN(C)[C@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000076047323 436186891 /nfs/dbraw/zinc/18/68/91/436186891.db2.gz GBFHMIDHDLKMQN-OCCSQVGLSA-N 1 1 337.424 0.131 50 0 ECAAMO CC(=O)N1CC[NH+]([C@@H]2CN(CC(=O)Nc3cc(C)no3)C[C@@H]2C)CC1 ZINC000076055628 436187569 /nfs/dbraw/zinc/18/75/69/436187569.db2.gz FJZCTKRCYOCPMF-SWLSCSKDSA-N 1 1 349.435 0.406 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000076047804 436184404 /nfs/dbraw/zinc/18/44/04/436184404.db2.gz WESUNXUZTCDZAF-LBPRGKRZSA-N 1 1 335.408 0.295 50 0 ECAAMO CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)o1 ZINC000076047804 436184408 /nfs/dbraw/zinc/18/44/08/436184408.db2.gz WESUNXUZTCDZAF-LBPRGKRZSA-N 1 1 335.408 0.295 50 0 ECAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000077387154 436236334 /nfs/dbraw/zinc/23/63/34/436236334.db2.gz YSPCOCKTNAZJHY-CQSZACIVSA-N 1 1 345.403 0.582 50 0 ECAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000077453775 436238168 /nfs/dbraw/zinc/23/81/68/436238168.db2.gz DWLLNLGRVKZEQD-AWEZNQCLSA-N 1 1 345.403 0.513 50 0 ECAAMO CCCn1c(=O)c2c(nc1NCCC[NH+]1CCOCC1)c(C)nn2C ZINC000032502098 436239429 /nfs/dbraw/zinc/23/94/29/436239429.db2.gz LFGBYKWLERBZOQ-UHFFFAOYSA-N 1 1 348.451 0.983 50 0 ECAAMO C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000076053806 436188539 /nfs/dbraw/zinc/18/85/39/436188539.db2.gz NOPGRRXMRATDOX-OWCLPIDISA-N 1 1 326.437 0.751 50 0 ECAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000076058437 436189932 /nfs/dbraw/zinc/18/99/32/436189932.db2.gz OIVOYXZYWFWPRL-CMPLNLGQSA-N 1 1 339.417 0.750 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2c2cccn2C)cn1 ZINC000076091252 436191503 /nfs/dbraw/zinc/19/15/03/436191503.db2.gz RYYGLJVKRMIIQH-HNNXBMFYSA-N 1 1 337.449 0.874 50 0 ECAAMO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2c2cccn2C)cn1 ZINC000076091252 436191509 /nfs/dbraw/zinc/19/15/09/436191509.db2.gz RYYGLJVKRMIIQH-HNNXBMFYSA-N 1 1 337.449 0.874 50 0 ECAAMO Cn1c(=O)cc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000031719266 436232761 /nfs/dbraw/zinc/23/27/61/436232761.db2.gz RFSSZDOIIXFESV-UHFFFAOYSA-N 1 1 329.400 0.991 50 0 ECAAMO Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000042108119 436297567 /nfs/dbraw/zinc/29/75/67/436297567.db2.gz NXGKHAZOMPOTOO-TXEJJXNPSA-N 1 1 328.438 0.944 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cccnc2N2CCCCC2)CC1 ZINC000078394448 436266625 /nfs/dbraw/zinc/26/66/25/436266625.db2.gz JYEGMEUKIUXPSM-UHFFFAOYSA-N 1 1 345.447 0.751 50 0 ECAAMO Cn1c2ncn(CC[N@@H+](C)CC3CCCCC3)c2c(=O)n(C)c1=O ZINC000044715058 436346425 /nfs/dbraw/zinc/34/64/25/436346425.db2.gz XQFSBLQDPMKXBO-UHFFFAOYSA-N 1 1 333.436 0.946 50 0 ECAAMO Cc1noc(C)c1CC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000044916268 436354086 /nfs/dbraw/zinc/35/40/86/436354086.db2.gz ILYUXICMEZHYHB-ZBFHGGJFSA-N 1 1 337.420 0.687 50 0 ECAAMO O=C(NCc1cccnc1)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000042759619 436316517 /nfs/dbraw/zinc/31/65/17/436316517.db2.gz WJIJVSKAXSOPCG-HOTGVXAUSA-N 1 1 334.420 0.618 50 0 ECAAMO O=C([C@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1)N1CCOCC1 ZINC000082087690 436361029 /nfs/dbraw/zinc/36/10/29/436361029.db2.gz RFICNSASDCXAFK-INIZCTEOSA-N 1 1 339.480 0.404 50 0 ECAAMO COCCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000045337100 436365211 /nfs/dbraw/zinc/36/52/11/436365211.db2.gz CIIOPLDBKDKVGT-SJORKVTESA-N 1 1 345.443 0.997 50 0 ECAAMO COCCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000045337100 436365216 /nfs/dbraw/zinc/36/52/16/436365216.db2.gz CIIOPLDBKDKVGT-SJORKVTESA-N 1 1 345.443 0.997 50 0 ECAAMO CCC(CC)[C@@H](CNC(=O)N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000045526381 436368795 /nfs/dbraw/zinc/36/87/95/436368795.db2.gz AJNDKAPFWLQEFC-LSDHHAIUSA-N 1 1 340.468 0.640 50 0 ECAAMO CNC(=O)NC(=O)CC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000083881866 436377907 /nfs/dbraw/zinc/37/79/07/436377907.db2.gz OHESBRXRPYAMFA-CYBMUJFWSA-N 1 1 336.367 0.709 50 0 ECAAMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768125 436383899 /nfs/dbraw/zinc/38/38/99/436383899.db2.gz BCNWLJKYUGVDIO-CYBMUJFWSA-N 1 1 343.449 0.741 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768125 436383902 /nfs/dbraw/zinc/38/39/02/436383902.db2.gz BCNWLJKYUGVDIO-CYBMUJFWSA-N 1 1 343.449 0.741 50 0 ECAAMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000085468190 436389755 /nfs/dbraw/zinc/38/97/55/436389755.db2.gz DKMBEXXXQIGPDL-HNNXBMFYSA-N 1 1 346.475 0.873 50 0 ECAAMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc2c1OCCO2 ZINC000089426674 436410918 /nfs/dbraw/zinc/41/09/18/436410918.db2.gz ZINYTJXYKGUDFY-UHFFFAOYSA-N 1 1 349.387 0.146 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000048286355 436448015 /nfs/dbraw/zinc/44/80/15/436448015.db2.gz FJGVCKYKCSLVCZ-AWEZNQCLSA-N 1 1 331.416 0.564 50 0 ECAAMO CC[N@H+](CCC(=O)N1CCOCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048332061 436449567 /nfs/dbraw/zinc/44/95/67/436449567.db2.gz KBSBPNQDRPFLSR-UHFFFAOYSA-N 1 1 344.415 0.994 50 0 ECAAMO CC[N@@H+](CCC(=O)N1CCOCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048332061 436449571 /nfs/dbraw/zinc/44/95/71/436449571.db2.gz KBSBPNQDRPFLSR-UHFFFAOYSA-N 1 1 344.415 0.994 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)ccc1O ZINC000091526480 436452381 /nfs/dbraw/zinc/45/23/81/436452381.db2.gz ZKZUCWXMXSFXBO-IAGOWNOFSA-N 1 1 349.475 0.875 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)ccc1O ZINC000091526480 436452383 /nfs/dbraw/zinc/45/23/83/436452383.db2.gz ZKZUCWXMXSFXBO-IAGOWNOFSA-N 1 1 349.475 0.875 50 0 ECAAMO CCC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nc(C)c(CC)c1C ZINC000091663040 436456907 /nfs/dbraw/zinc/45/69/07/436456907.db2.gz PZPIUTABEMCAIG-HOCLYGCPSA-N 1 1 349.479 0.764 50 0 ECAAMO CCC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)Cn1nc(C)c(CC)c1C ZINC000091663040 436456910 /nfs/dbraw/zinc/45/69/10/436456910.db2.gz PZPIUTABEMCAIG-HOCLYGCPSA-N 1 1 349.479 0.764 50 0 ECAAMO C[C@@H]1CN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C[C@@]1(O)C1CCC1 ZINC000091931771 436465714 /nfs/dbraw/zinc/46/57/14/436465714.db2.gz CXNAFMCTFWTAKZ-ACJLOTCBSA-N 1 1 346.479 0.798 50 0 ECAAMO CC(C)[NH+]1CCC(C(=O)N2CCNC(=O)[C@@H]2Cc2cnc[nH]2)CC1 ZINC000095521723 436497606 /nfs/dbraw/zinc/49/76/06/436497606.db2.gz IRKORSSCDSLTEU-HNNXBMFYSA-N 1 1 333.436 0.400 50 0 ECAAMO CC(C)[NH+]1CCC(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)CC1 ZINC000095518059 436498237 /nfs/dbraw/zinc/49/82/37/436498237.db2.gz DRRCYEJCPSTCQV-UHFFFAOYSA-N 1 1 348.451 0.121 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1 ZINC000096101306 436512037 /nfs/dbraw/zinc/51/20/37/436512037.db2.gz HWYFPBLZCPQKFM-UHFFFAOYSA-N 1 1 330.392 0.567 50 0 ECAAMO Cn1c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc(=O)n(C)c1=O ZINC000097200618 436542057 /nfs/dbraw/zinc/54/20/57/436542057.db2.gz QWBBUPMKMSGZNG-ZDUSSCGKSA-N 1 1 329.404 0.413 50 0 ECAAMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCO2 ZINC000106167156 436589615 /nfs/dbraw/zinc/58/96/15/436589615.db2.gz DBWGHKJBAFXLNT-UONOGXRCSA-N 1 1 338.429 0.763 50 0 ECAAMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCN1C[C@H](O)c1ccccc1 ZINC000106786582 436602045 /nfs/dbraw/zinc/60/20/45/436602045.db2.gz ADZJEZOVBSLDJU-QRQLOZEOSA-N 1 1 344.459 0.984 50 0 ECAAMO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000106786582 436602048 /nfs/dbraw/zinc/60/20/48/436602048.db2.gz ADZJEZOVBSLDJU-QRQLOZEOSA-N 1 1 344.459 0.984 50 0 ECAAMO CC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000106869335 436603162 /nfs/dbraw/zinc/60/31/62/436603162.db2.gz SQUVVWYEPHTNFY-QJPTWQEYSA-N 1 1 325.375 0.830 50 0 ECAAMO O=C(CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC000106905414 436605906 /nfs/dbraw/zinc/60/59/06/436605906.db2.gz MJYYLNYARHSQBL-LSDHHAIUSA-N 1 1 338.452 0.598 50 0 ECAAMO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC000107141984 436607978 /nfs/dbraw/zinc/60/79/78/436607978.db2.gz GKGOOTODVIHGNC-ZBFHGGJFSA-N 1 1 345.509 0.296 50 0 ECAAMO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC000107141984 436607980 /nfs/dbraw/zinc/60/79/80/436607980.db2.gz GKGOOTODVIHGNC-ZBFHGGJFSA-N 1 1 345.509 0.296 50 0 ECAAMO CC[NH+]1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000057394705 436611182 /nfs/dbraw/zinc/61/11/82/436611182.db2.gz ZFZDBAXFNVVFFU-QGZVFWFLSA-N 1 1 333.432 0.907 50 0 ECAAMO COCCN1CC[C@@]2(CN(Cc3ncc[nH]3)CC[N@H+]2C)CCC1=O ZINC000107399350 436611425 /nfs/dbraw/zinc/61/14/25/436611425.db2.gz PCZALIDUWOYIDA-QGZVFWFLSA-N 1 1 335.452 0.555 50 0 ECAAMO COc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(OC)n1 ZINC000108040973 436615918 /nfs/dbraw/zinc/61/59/18/436615918.db2.gz IYQGADCQBBLKSF-MRXNPFEDSA-N 1 1 335.408 0.285 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000057793446 436616501 /nfs/dbraw/zinc/61/65/01/436616501.db2.gz KFODYMMXCSZOGY-AWEZNQCLSA-N 1 1 331.482 0.649 50 0 ECAAMO C[N@H+]1CCN(CCNC(=O)Cn2cccn2)[C@H](c2ccccc2)C1 ZINC000058010382 436619542 /nfs/dbraw/zinc/61/95/42/436619542.db2.gz MBCVVXIZOKGJKK-KRWDZBQOSA-N 1 1 327.432 0.988 50 0 ECAAMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000058208453 436621547 /nfs/dbraw/zinc/62/15/47/436621547.db2.gz CGAPWIUXYHHANL-UHFFFAOYSA-N 1 1 333.436 0.716 50 0 ECAAMO Cc1nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2n(C)c1=O ZINC000064858775 436650626 /nfs/dbraw/zinc/65/06/26/436650626.db2.gz PNMWRWVVMLETSN-UHFFFAOYSA-N 1 1 344.415 0.694 50 0 ECAAMO Cc1ccccc1[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)[NH+](C)C ZINC000065398954 436657047 /nfs/dbraw/zinc/65/70/47/436657047.db2.gz YTRLIZBHOYEMDF-MRXNPFEDSA-N 1 1 329.404 0.622 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 ZINC000065491003 436665059 /nfs/dbraw/zinc/66/50/59/436665059.db2.gz WCVKSPFBURLETN-UHFFFAOYSA-N 1 1 330.388 0.191 50 0 ECAAMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000065592593 436668073 /nfs/dbraw/zinc/66/80/73/436668073.db2.gz WLDSLAAEACKJQH-GFCCVEGCSA-N 1 1 346.387 0.671 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2C)CC1 ZINC000229306565 436714265 /nfs/dbraw/zinc/71/42/65/436714265.db2.gz XPDYTOILWRYMEF-KBXCAEBGSA-N 1 1 344.459 0.770 50 0 ECAAMO COc1ccc(COC[C@H](O)C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241644176 436759188 /nfs/dbraw/zinc/75/91/88/436759188.db2.gz POXVJIKMUMBKIA-LSDHHAIUSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241644176 436759192 /nfs/dbraw/zinc/75/91/92/436759192.db2.gz POXVJIKMUMBKIA-LSDHHAIUSA-N 1 1 343.445 0.692 50 0 ECAAMO C[N@H+](CCC(=O)NCCCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000230543232 436716296 /nfs/dbraw/zinc/71/62/96/436716296.db2.gz VBUSJMNPAQBDMP-HNNXBMFYSA-N 1 1 339.461 0.639 50 0 ECAAMO C[N@@H+](CCC(=O)NCCCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000230543232 436716302 /nfs/dbraw/zinc/71/63/02/436716302.db2.gz VBUSJMNPAQBDMP-HNNXBMFYSA-N 1 1 339.461 0.639 50 0 ECAAMO CCS(=O)(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230178284 436716446 /nfs/dbraw/zinc/71/64/46/436716446.db2.gz NGZUHWLDBDDYOJ-MRXNPFEDSA-N 1 1 343.493 0.745 50 0 ECAAMO CCS(=O)(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230178284 436716448 /nfs/dbraw/zinc/71/64/48/436716448.db2.gz NGZUHWLDBDDYOJ-MRXNPFEDSA-N 1 1 343.493 0.745 50 0 ECAAMO C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000229563962 436716968 /nfs/dbraw/zinc/71/69/68/436716968.db2.gz JRQHJWKLLJSLQZ-MCIONIFRSA-N 1 1 331.482 0.947 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](CCO)Cc2ccccc2)C1 ZINC000069348793 436769718 /nfs/dbraw/zinc/76/97/18/436769718.db2.gz AQVWQAGKZXZKPF-QGZVFWFLSA-N 1 1 333.432 0.608 50 0 ECAAMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](CCO)Cc2ccccc2)C1 ZINC000069348793 436769722 /nfs/dbraw/zinc/76/97/22/436769722.db2.gz AQVWQAGKZXZKPF-QGZVFWFLSA-N 1 1 333.432 0.608 50 0 ECAAMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000247713073 436796860 /nfs/dbraw/zinc/79/68/60/436796860.db2.gz LEOJEJLWOHUBQG-HIFRSBDPSA-N 1 1 347.390 0.693 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000248081322 436798966 /nfs/dbraw/zinc/79/89/66/436798966.db2.gz AKQPSHFVGUPNRV-RBSFLKMASA-N 1 1 343.493 0.743 50 0 ECAAMO O=S(=O)([C@H]1CCC[N@@H+](CCn2ccnc2)C1)N1CCOCC1 ZINC000253425751 436845416 /nfs/dbraw/zinc/84/54/16/436845416.db2.gz OLOQMJLMCVXTSJ-AWEZNQCLSA-N 1 1 328.438 0.010 50 0 ECAAMO C[C@H]1CCCCN1S(=O)(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000253430018 436846265 /nfs/dbraw/zinc/84/62/65/436846265.db2.gz HSMPYPDPADADHV-AWEZNQCLSA-N 1 1 347.481 0.486 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000252537305 436837527 /nfs/dbraw/zinc/83/75/27/436837527.db2.gz KXUWXNISRTYLFX-GXTWGEPZSA-N 1 1 348.403 0.895 50 0 ECAAMO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000163529723 436924404 /nfs/dbraw/zinc/92/44/04/436924404.db2.gz YURFAMVUAFGSIH-JKSUJKDBSA-N 1 1 337.395 0.304 50 0 ECAAMO Cc1[nH+]ccn1CCCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000280862810 436927045 /nfs/dbraw/zinc/92/70/45/436927045.db2.gz BEXCNEDHEKQDJL-UHFFFAOYSA-N 1 1 340.380 0.798 50 0 ECAAMO C[N@H+](CCC(=O)N1CC(c2cccnc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000299763124 437110148 /nfs/dbraw/zinc/11/01/48/437110148.db2.gz ZMJHWNUNGPDWHE-OAHLLOKOSA-N 1 1 337.445 0.516 50 0 ECAAMO C[N@@H+](CCC(=O)N1CC(c2cccnc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000299763124 437110154 /nfs/dbraw/zinc/11/01/54/437110154.db2.gz ZMJHWNUNGPDWHE-OAHLLOKOSA-N 1 1 337.445 0.516 50 0 ECAAMO Cc1nonc1CN1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299770042 437111103 /nfs/dbraw/zinc/11/11/03/437111103.db2.gz QCQURSJSXSEWOF-GFCCVEGCSA-N 1 1 345.407 0.576 50 0 ECAAMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000266891962 437262348 /nfs/dbraw/zinc/26/23/48/437262348.db2.gz WSCFIEABNYDOJA-UHFFFAOYSA-N 1 1 349.416 0.532 50 0 ECAAMO CCOC(=O)N1CCC([N@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)CC1 ZINC000426422037 438055861 /nfs/dbraw/zinc/05/58/61/438055861.db2.gz UEKVSCLVXWXKNB-HUUCEWRRSA-N 1 1 349.435 0.945 50 0 ECAAMO OCCNc1nc(N2CCOC3(CCCC3)C2)cc([C@H]2CCOC2)[nH+]1 ZINC000426407560 438057634 /nfs/dbraw/zinc/05/76/34/438057634.db2.gz NNMYJPSKHXQDOE-AWEZNQCLSA-N 1 1 348.447 1.534 50 0 ECAAMO OCCNc1nc(NCc2[nH]nc3c2CCC3)cc([C@H]2CCOC2)[nH+]1 ZINC000426489504 438058965 /nfs/dbraw/zinc/05/89/65/438058965.db2.gz GLDDPVVKXZZKLR-NSHDSACASA-N 1 1 344.419 0.052 50 0 ECAAMO Cc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426471063 438061026 /nfs/dbraw/zinc/06/10/26/438061026.db2.gz VSWXZLRLAOJITK-GFCCVEGCSA-N 1 1 344.419 1.113 50 0 ECAAMO Cc1nc2c([nH]1)CN(C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1)CC2 ZINC000426701384 438069770 /nfs/dbraw/zinc/06/97/70/438069770.db2.gz IEKVSTNGXDJMKS-ZDUSSCGKSA-N 1 1 328.420 0.967 50 0 ECAAMO C[NH+](C)[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000408523440 438582967 /nfs/dbraw/zinc/58/29/67/438582967.db2.gz JZJKKWDOWXCIHN-HOTGVXAUSA-N 1 1 338.427 0.574 50 0 ECAAMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000588080563 438818306 /nfs/dbraw/zinc/81/83/06/438818306.db2.gz HONCRPNMOVYTPM-QLFBSQMISA-N 1 1 349.479 0.601 50 0 ECAAMO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000588080563 438818309 /nfs/dbraw/zinc/81/83/09/438818309.db2.gz HONCRPNMOVYTPM-QLFBSQMISA-N 1 1 349.479 0.601 50 0 ECAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)CCCO2 ZINC000534578166 439529692 /nfs/dbraw/zinc/52/96/92/439529692.db2.gz QZCUAZHYSRDQCN-HNNXBMFYSA-N 1 1 331.416 0.838 50 0 ECAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)CCCO2 ZINC000534578166 439529697 /nfs/dbraw/zinc/52/96/97/439529697.db2.gz QZCUAZHYSRDQCN-HNNXBMFYSA-N 1 1 331.416 0.838 50 0 ECAAMO NC(=O)CN1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000585145817 439634880 /nfs/dbraw/zinc/63/48/80/439634880.db2.gz LYVPKOKNAJEBBI-UHFFFAOYSA-N 1 1 345.447 0.027 50 0 ECAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(Cn2nnnc2C)cc1 ZINC000244594307 535635160 /nfs/dbraw/zinc/63/51/60/535635160.db2.gz DKOSKKUBKZSHQJ-HOTGVXAUSA-N 1 1 344.419 0.479 50 0 ECAAMO CCOC[C@H](O)C[N@H+]1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC000084801170 545712698 /nfs/dbraw/zinc/71/26/98/545712698.db2.gz MWWMQKXJNCQHFF-USXIJHARSA-N 1 1 327.469 0.258 50 0 ECAAMO CNC(=O)c1ccc(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)o1 ZINC000244795932 545935101 /nfs/dbraw/zinc/93/51/01/545935101.db2.gz RQANNHMUWUMABR-UHFFFAOYSA-N 1 1 334.420 0.426 50 0 ECAAMO C[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244899740 545936599 /nfs/dbraw/zinc/93/65/99/545936599.db2.gz ZPENVQZMEMAMSR-AWEZNQCLSA-N 1 1 330.392 0.594 50 0 ECAAMO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244899740 545936604 /nfs/dbraw/zinc/93/66/04/545936604.db2.gz ZPENVQZMEMAMSR-AWEZNQCLSA-N 1 1 330.392 0.594 50 0 ECAAMO CN(Cc1ccccc1)S(=O)(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670452389 548014357 /nfs/dbraw/zinc/01/43/57/548014357.db2.gz IBEOMFOEKKMNMH-MRXNPFEDSA-N 1 1 341.477 0.657 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000670450789 548014488 /nfs/dbraw/zinc/01/44/88/548014488.db2.gz UFUIGZQKEDZGLF-ZDUSSCGKSA-N 1 1 330.454 0.447 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000670450789 548014494 /nfs/dbraw/zinc/01/44/94/548014494.db2.gz UFUIGZQKEDZGLF-ZDUSSCGKSA-N 1 1 330.454 0.447 50 0 ECAAMO O=C(CCCN1CCCCC1=O)NCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000670466679 548016527 /nfs/dbraw/zinc/01/65/27/548016527.db2.gz VODYSOVNKUVIGX-OAHLLOKOSA-N 1 1 325.453 0.742 50 0 ECAAMO CC(C)=CCNC(=O)[C@@]12C[N@H+](Cc3nnnn3C)C[C@H]1COCC2 ZINC000685940384 549726928 /nfs/dbraw/zinc/72/69/28/549726928.db2.gz ICCOFXRFISFJME-BBRMVZONSA-N 1 1 334.424 0.131 50 0 ECAAMO CC(C)=CCNC(=O)[C@@]12C[N@@H+](Cc3nnnn3C)C[C@H]1COCC2 ZINC000685940384 549726930 /nfs/dbraw/zinc/72/69/30/549726930.db2.gz ICCOFXRFISFJME-BBRMVZONSA-N 1 1 334.424 0.131 50 0 ECAAMO C/C=C\Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCOC)n(C)c1=O ZINC000103412817 586056548 /nfs/dbraw/zinc/05/65/48/586056548.db2.gz OMSYFRJJZVPTRH-WAYWQWQTSA-N 1 1 346.391 0.315 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)C1 ZINC000952984223 612140178 /nfs/dbraw/zinc/14/01/78/612140178.db2.gz ZCOORHATSFHGIV-CHWSQXEVSA-N 1 1 347.419 0.086 50 0 ECAAMO CC[N@H+]1CC[C@H](CNC(=O)N2CCC(O)(Cn3ccnc3)CC2)C1 ZINC000426361271 752838000 /nfs/dbraw/zinc/83/80/00/752838000.db2.gz KUFBEWUQWRVGQC-OAHLLOKOSA-N 1 1 335.452 0.761 50 0 ECAAMO Cc1cc(N2CCN(c3cc(N)[nH+]cn3)C[C@H](C(=O)[O-])C2)cc[nH+]1 ZINC000097642026 219043666 /nfs/dbraw/zinc/04/36/66/219043666.db2.gz VYKPYMCTZNOEKH-GFCCVEGCSA-N 1 1 328.376 0.790 50 0 ECAAMO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)NCCc1ccsc1 ZINC000053285839 214174863 /nfs/dbraw/zinc/17/48/63/214174863.db2.gz GXLYOJHPTNBVTF-UHFFFAOYSA-N 1 1 336.461 0.896 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC1(CO)CCCC1 ZINC000055245238 214294843 /nfs/dbraw/zinc/29/48/43/214294843.db2.gz XYQIYNLSSXVBNQ-CQSZACIVSA-N 1 1 325.453 0.596 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC1(CO)CCCC1 ZINC000055245238 214294845 /nfs/dbraw/zinc/29/48/45/214294845.db2.gz XYQIYNLSSXVBNQ-CQSZACIVSA-N 1 1 325.453 0.596 50 0 ECAAMO COCC[N@H+]1CCC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000097773190 219055232 /nfs/dbraw/zinc/05/52/32/219055232.db2.gz WDWBEWADCZNGMW-HNNXBMFYSA-N 1 1 348.447 0.834 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000055271904 214298775 /nfs/dbraw/zinc/29/87/75/214298775.db2.gz UYWUYDBZZRUTGP-CYBMUJFWSA-N 1 1 347.419 0.044 50 0 ECAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000100081614 219090529 /nfs/dbraw/zinc/09/05/29/219090529.db2.gz QSPBBQSQBGJMOJ-OAHLLOKOSA-N 1 1 345.399 0.743 50 0 ECAAMO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000053639757 282394336 /nfs/dbraw/zinc/39/43/36/282394336.db2.gz XHNRZHKDCHEDAY-FZMZJTMJSA-N 1 1 349.435 0.670 50 0 ECAAMO CS(=O)(=O)NC1CC[NH+](CCn2c3ccccc3oc2=O)CC1 ZINC000045736548 213750395 /nfs/dbraw/zinc/75/03/95/213750395.db2.gz SSDZNXJEAUEGMM-UHFFFAOYSA-N 1 1 339.417 0.608 50 0 ECAAMO O=C(CN1CC[NH+](CCO)CC1)NCCOc1ccc(Cl)cc1 ZINC000066863418 215088758 /nfs/dbraw/zinc/08/87/58/215088758.db2.gz XVSMXMSPLCKZJL-UHFFFAOYSA-N 1 1 341.839 0.445 50 0 ECAAMO CCn1c(=O)[nH]nc1C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000067696999 215189760 /nfs/dbraw/zinc/18/97/60/215189760.db2.gz KKINFSHMCPNYPZ-OCCSQVGLSA-N 1 1 333.436 0.782 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCc2[nH]nc3c2CCCC3)C1 ZINC000067818283 215219861 /nfs/dbraw/zinc/21/98/61/215219861.db2.gz FARBYIPDODTSCK-LBPRGKRZSA-N 1 1 333.436 0.145 50 0 ECAAMO Cc1c(-c2cc(C(=O)NCC[C@@H]3C[N@H+](C)CCO3)no2)cnn1C ZINC000067880326 215238919 /nfs/dbraw/zinc/23/89/19/215238919.db2.gz OFYVRTVPOJVRDI-GFCCVEGCSA-N 1 1 333.392 0.834 50 0 ECAAMO Cc1c(-c2cc(C(=O)NCC[C@@H]3C[N@@H+](C)CCO3)no2)cnn1C ZINC000067880326 215238921 /nfs/dbraw/zinc/23/89/21/215238921.db2.gz OFYVRTVPOJVRDI-GFCCVEGCSA-N 1 1 333.392 0.834 50 0 ECAAMO C[N@@H+](CCO)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067895850 215243122 /nfs/dbraw/zinc/24/31/22/215243122.db2.gz VBTYIUXMJYHSOR-INIZCTEOSA-N 1 1 328.359 0.742 50 0 ECAAMO O=C([C@H]1CCC(=O)N1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000068291139 215297161 /nfs/dbraw/zinc/29/71/61/215297161.db2.gz TZBIPUAWXYFMGX-LLVKDONJSA-N 1 1 337.342 0.378 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2C)o1 ZINC000040555069 213349131 /nfs/dbraw/zinc/34/91/31/213349131.db2.gz YQZUHXOXBKSTRO-UHFFFAOYSA-N 1 1 326.378 0.513 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000040511123 213327954 /nfs/dbraw/zinc/32/79/54/213327954.db2.gz ADMWLLTZSGSZMM-UHFFFAOYSA-N 1 1 342.399 0.468 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000040489026 213318312 /nfs/dbraw/zinc/31/83/12/213318312.db2.gz GMNPPJYTNYCTML-UHFFFAOYSA-N 1 1 327.388 0.552 50 0 ECAAMO Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000040287108 213289046 /nfs/dbraw/zinc/28/90/46/213289046.db2.gz IRDBEYBUHGHILK-GFCCVEGCSA-N 1 1 333.392 0.988 50 0 ECAAMO O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CC[NH+](C2CC2)CC1 ZINC000071836739 215867623 /nfs/dbraw/zinc/86/76/23/215867623.db2.gz UXTVONXCEBUYBW-UHFFFAOYSA-N 1 1 348.447 0.938 50 0 ECAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[NH+](CCO)CC1 ZINC000032850916 212855910 /nfs/dbraw/zinc/85/59/10/212855910.db2.gz QRFXNDVAIYKNKQ-CYBMUJFWSA-N 1 1 343.435 0.868 50 0 ECAAMO CCc1nc(N2CC[NH2+][C@@H](C(=O)NCc3ccncc3)C2)ncc1C ZINC000072134562 216023158 /nfs/dbraw/zinc/02/31/58/216023158.db2.gz XUHLFPBTDPPWDW-MRXNPFEDSA-N 1 1 340.431 0.837 50 0 ECAAMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301477 216139475 /nfs/dbraw/zinc/13/94/75/216139475.db2.gz UQMRRSKQYIVJSA-WMZOPIPTSA-N 1 1 346.475 0.644 50 0 ECAAMO Cn1cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)cn1 ZINC000072481619 216261129 /nfs/dbraw/zinc/26/11/29/216261129.db2.gz NSCGKHDXBILZCF-GOSISDBHSA-N 1 1 339.399 0.396 50 0 ECAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)N1CCOCC1 ZINC000023252180 212364495 /nfs/dbraw/zinc/36/44/95/212364495.db2.gz OKTXSBOEHZIYKE-KRWDZBQOSA-N 1 1 333.432 0.196 50 0 ECAAMO CNC(=C[N+](=O)[O-])NCC[S@](=O)Cc1ccc(C[NH+](C)C)o1 ZINC000021981348 212267484 /nfs/dbraw/zinc/26/74/84/212267484.db2.gz SKHXRNHSZTXSLP-SNMYMPMCSA-N 1 1 330.410 0.475 50 0 in-vitro ECAAMO COCCc1noc(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000244564046 243039285 /nfs/dbraw/zinc/03/92/85/243039285.db2.gz CLSOVYNUWMHGTI-UHFFFAOYSA-N 1 1 337.424 0.045 50 0 ECAAMO Cc1cc(N)n(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000244723735 243068753 /nfs/dbraw/zinc/06/87/53/243068753.db2.gz MGJFAMQHYFRFNM-OAHLLOKOSA-N 1 1 328.420 0.950 50 0 ECAAMO Cc1cc(N)n(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000244723735 243068756 /nfs/dbraw/zinc/06/87/56/243068756.db2.gz MGJFAMQHYFRFNM-OAHLLOKOSA-N 1 1 328.420 0.950 50 0 ECAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3cccnc3)no2)CC1 ZINC000020676265 212162310 /nfs/dbraw/zinc/16/23/10/212162310.db2.gz SDRCEMLSQNJKEG-UHFFFAOYSA-N 1 1 330.392 0.499 50 0 ECAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020568036 212148207 /nfs/dbraw/zinc/14/82/07/212148207.db2.gz DJHVNUCSOUDPEG-LBPRGKRZSA-N 1 1 343.424 0.754 50 0 ECAAMO CCC[N@@H+]1CCc2c(sc3c2c(NCCO)nc2nnnn23)C1 ZINC000020503984 212141637 /nfs/dbraw/zinc/14/16/37/212141637.db2.gz IOGMREUWNLGWCS-UHFFFAOYSA-N 1 1 333.421 0.906 50 0 ECAAMO CCC[N@H+]1CCc2c(sc3c2c(NCCO)nc2nnnn23)C1 ZINC000020503984 212141639 /nfs/dbraw/zinc/14/16/39/212141639.db2.gz IOGMREUWNLGWCS-UHFFFAOYSA-N 1 1 333.421 0.906 50 0 ECAAMO CCCCc1ncc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)[nH]1 ZINC000020452142 212130948 /nfs/dbraw/zinc/13/09/48/212130948.db2.gz YCSDGUZJBOHBEZ-IAGOWNOFSA-N 1 1 335.496 0.935 50 0 ECAAMO C[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2)CC1 ZINC000013735547 211625400 /nfs/dbraw/zinc/62/54/00/211625400.db2.gz SMOCENZPTRIHHF-ZDUSSCGKSA-N 1 1 349.822 0.770 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cc(C)n1 ZINC000091412511 218002585 /nfs/dbraw/zinc/00/25/85/218002585.db2.gz NTNGCOCFOUHUAS-QZTJIDSGSA-N 1 1 348.491 0.872 50 0 ECAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc(C)n1 ZINC000091412511 218002586 /nfs/dbraw/zinc/00/25/86/218002586.db2.gz NTNGCOCFOUHUAS-QZTJIDSGSA-N 1 1 348.491 0.872 50 0 ECAAMO COc1cccc(OC)c1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000011874602 211262961 /nfs/dbraw/zinc/26/29/61/211262961.db2.gz ZNXVSXPHSKWNAS-AWEZNQCLSA-N 1 1 349.431 0.919 50 0 ECAAMO COc1cccc(OC)c1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000011874602 211262964 /nfs/dbraw/zinc/26/29/64/211262964.db2.gz ZNXVSXPHSKWNAS-AWEZNQCLSA-N 1 1 349.431 0.919 50 0 ECAAMO CN1CC[C@]2(CN(C(=O)CCCn3cccn3)CC[N@H+]2C)CCC1=O ZINC000091694519 218049055 /nfs/dbraw/zinc/04/90/55/218049055.db2.gz ZFVVLXIODQTXBF-SFHVURJKSA-N 1 1 347.463 0.818 50 0 ECAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1CO ZINC000091818888 218070682 /nfs/dbraw/zinc/07/06/82/218070682.db2.gz YDBCGHURLVDMOX-CHWSQXEVSA-N 1 1 343.855 0.673 50 0 ECAAMO COCCN1CC[C@]2(CN(Cc3ncc[nH]3)CC[N@H+]2C)CCC1=O ZINC000091736872 218055868 /nfs/dbraw/zinc/05/58/68/218055868.db2.gz PCZALIDUWOYIDA-KRWDZBQOSA-N 1 1 335.452 0.555 50 0 ECAAMO NC(=O)C[N@@H+]1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C2CC2)C1 ZINC000091756785 218060342 /nfs/dbraw/zinc/06/03/42/218060342.db2.gz JWXFXPRMADAKII-CVEARBPZSA-N 1 1 331.416 0.515 50 0 ECAAMO NC(=O)C[N@H+]1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C2CC2)C1 ZINC000091756785 218060345 /nfs/dbraw/zinc/06/03/45/218060345.db2.gz JWXFXPRMADAKII-CVEARBPZSA-N 1 1 331.416 0.515 50 0 ECAAMO COCCN1CC[C@]2(C[N@H+](C3CCOCC3)CCN2C)CCC1=O ZINC000092045646 218108678 /nfs/dbraw/zinc/10/86/78/218108678.db2.gz QBPNOYCWAJBIGV-SFHVURJKSA-N 1 1 339.480 0.811 50 0 ECAAMO COCCN1CC[C@]2(CN(C3CCOCC3)CC[N@@H+]2C)CCC1=O ZINC000092045646 218108681 /nfs/dbraw/zinc/10/86/81/218108681.db2.gz QBPNOYCWAJBIGV-SFHVURJKSA-N 1 1 339.480 0.811 50 0 ECAAMO COCCN1CC[C@]2(CN(C3CCOCC3)CC[N@H+]2C)CCC1=O ZINC000092045646 218108684 /nfs/dbraw/zinc/10/86/84/218108684.db2.gz QBPNOYCWAJBIGV-SFHVURJKSA-N 1 1 339.480 0.811 50 0 ECAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)N1CCCCCC1 ZINC000092098575 218119997 /nfs/dbraw/zinc/11/99/97/218119997.db2.gz LAFKFJHLYSAZQH-GOSISDBHSA-N 1 1 337.464 0.696 50 0 ECAAMO O=C(NC1CCCCC1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092107876 218121006 /nfs/dbraw/zinc/12/10/06/218121006.db2.gz QQSYIZWYLVMVQA-HUUCEWRRSA-N 1 1 325.453 0.901 50 0 ECAAMO Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000095368832 218301411 /nfs/dbraw/zinc/30/14/11/218301411.db2.gz QYJYSMRAFRSFRZ-UONOGXRCSA-N 1 1 331.420 0.410 50 0 ECAAMO Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095368832 218301413 /nfs/dbraw/zinc/30/14/13/218301413.db2.gz QYJYSMRAFRSFRZ-UONOGXRCSA-N 1 1 331.420 0.410 50 0 ECAAMO Cc1nnsc1CN(C)C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000299774981 258085190 /nfs/dbraw/zinc/08/51/90/258085190.db2.gz JKSQDPUVNGZBSN-NSHDSACASA-N 1 1 346.478 0.314 50 0 ECAAMO Cc1nnsc1CN(C)C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000299774981 258085192 /nfs/dbraw/zinc/08/51/92/258085192.db2.gz JKSQDPUVNGZBSN-NSHDSACASA-N 1 1 346.478 0.314 50 0 ECAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C[C@H]1O ZINC000299799082 258102916 /nfs/dbraw/zinc/10/29/16/258102916.db2.gz UNIZWGFRVUDQQZ-HKFHSAMXSA-N 1 1 339.461 0.531 50 0 ECAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C[C@H]1O ZINC000299799082 258102917 /nfs/dbraw/zinc/10/29/17/258102917.db2.gz UNIZWGFRVUDQQZ-HKFHSAMXSA-N 1 1 339.461 0.531 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cccc3nsnc32)C1 ZINC000055060692 258061129 /nfs/dbraw/zinc/06/11/29/258061129.db2.gz HBOBPCDCRVSUBP-LLVKDONJSA-N 1 1 333.417 0.505 50 0 ECAAMO C[C@@H]1C[N@@H+](C)CCN1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089939246 288070005 /nfs/dbraw/zinc/07/00/05/288070005.db2.gz RZFBVIXJZJKAIL-CQSZACIVSA-N 1 1 341.477 0.952 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000189399142 290111633 /nfs/dbraw/zinc/11/16/33/290111633.db2.gz VOCFFWCNNZMYKO-XHSDSOJGSA-N 1 1 325.453 0.155 50 0 ECAAMO CCN1CCN(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)C1=O ZINC000069705543 435960395 /nfs/dbraw/zinc/96/03/95/435960395.db2.gz GXYWBRQDAJGCMI-UHFFFAOYSA-N 1 1 345.447 0.920 50 0 ECAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000069817764 435967788 /nfs/dbraw/zinc/96/77/88/435967788.db2.gz HPVYXCHPWCYIIP-MRXNPFEDSA-N 1 1 335.452 0.856 50 0 ECAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000069848105 435970318 /nfs/dbraw/zinc/97/03/18/435970318.db2.gz QMCQCKLMGZOMEF-WFASDCNBSA-N 1 1 339.436 0.937 50 0 ECAAMO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)NCc2ccccn2)CC1 ZINC000069918473 435977306 /nfs/dbraw/zinc/97/73/06/435977306.db2.gz MPKDZAPBVYFBHI-HNNXBMFYSA-N 1 1 334.464 0.722 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 ZINC000069978020 435979601 /nfs/dbraw/zinc/97/96/01/435979601.db2.gz JKMHHHJLZROGPQ-CQSZACIVSA-N 1 1 347.415 0.900 50 0 ECAAMO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C(=O)N1CCOCC1 ZINC000069586624 435950831 /nfs/dbraw/zinc/95/08/31/435950831.db2.gz QWDMMQKLXTVZBT-HOCLYGCPSA-N 1 1 333.432 0.523 50 0 ECAAMO C[C@H]1Oc2c(cccc2C(=O)N2CC[NH+](CC(C)(C)O)CC2)NC1=O ZINC000071881850 436025204 /nfs/dbraw/zinc/02/52/04/436025204.db2.gz OFIGVYHLZQSNBE-GFCCVEGCSA-N 1 1 347.415 0.935 50 0 ECAAMO CCN1C(=O)CN(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000071920485 436031309 /nfs/dbraw/zinc/03/13/09/436031309.db2.gz OAIOCIDSKNGXRQ-MRXNPFEDSA-N 1 1 346.431 0.579 50 0 ECAAMO CCOCCO[C@H](C)C(=O)N1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000072283779 436039511 /nfs/dbraw/zinc/03/95/11/436039511.db2.gz PWYQPOPDIYWBFK-CQSZACIVSA-N 1 1 341.452 0.241 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010330249 436039838 /nfs/dbraw/zinc/03/98/38/436039838.db2.gz IMDCTXONYNQNIU-NSHDSACASA-N 1 1 348.407 0.710 50 0 ECAAMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000012432280 436050480 /nfs/dbraw/zinc/05/04/80/436050480.db2.gz ALERIIUQQWIOKI-OAHLLOKOSA-N 1 1 349.483 0.602 50 0 ECAAMO c1ccc(-n2nnnc2NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000012738259 436055272 /nfs/dbraw/zinc/05/52/72/436055272.db2.gz ZEQVSLQUNHXVDG-GOEBONIOSA-N 1 1 344.419 0.812 50 0 ECAAMO C[NH+]1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000015936310 436086295 /nfs/dbraw/zinc/08/62/95/436086295.db2.gz ITTYDKNXCWEXRL-UHFFFAOYSA-N 1 1 339.399 0.813 50 0 ECAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000074658546 436136757 /nfs/dbraw/zinc/13/67/57/436136757.db2.gz BRDKGNCHRNMQDG-PMPSAXMXSA-N 1 1 326.485 0.863 50 0 ECAAMO CC(C)[NH+]1CCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)CC1 ZINC000025137433 436145524 /nfs/dbraw/zinc/14/55/24/436145524.db2.gz MBSWFNBVRZLQHN-UHFFFAOYSA-N 1 1 344.415 0.905 50 0 ECAAMO CCCNC(=O)CN1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000025231475 436149242 /nfs/dbraw/zinc/14/92/42/436149242.db2.gz QGGMJXDMEXUTIK-OAHLLOKOSA-N 1 1 339.436 0.301 50 0 ECAAMO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000075092125 436149870 /nfs/dbraw/zinc/14/98/70/436149870.db2.gz QENCPWLJPNJTEK-DZGCQCFKSA-N 1 1 339.436 0.977 50 0 ECAAMO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000075092125 436149876 /nfs/dbraw/zinc/14/98/76/436149876.db2.gz QENCPWLJPNJTEK-DZGCQCFKSA-N 1 1 339.436 0.977 50 0 ECAAMO Cc1cc(C)c(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(=O)[nH]1 ZINC000075117971 436153029 /nfs/dbraw/zinc/15/30/29/436153029.db2.gz JKBDWXIKJSVWFZ-HNNXBMFYSA-N 1 1 348.447 0.998 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000020648314 436111565 /nfs/dbraw/zinc/11/15/65/436111565.db2.gz GLCGCCQQKIASIK-OAHLLOKOSA-N 1 1 333.436 0.532 50 0 ECAAMO Cc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1N1CCNC1=O ZINC000075602975 436166560 /nfs/dbraw/zinc/16/65/60/436166560.db2.gz LMFPQQVCRUDHKM-CQSZACIVSA-N 1 1 346.431 0.663 50 0 ECAAMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cncn1 ZINC000027582264 436179256 /nfs/dbraw/zinc/17/92/56/436179256.db2.gz CTNFZSOTFOABGW-CQSZACIVSA-N 1 1 329.404 0.988 50 0 ECAAMO CN1C(=O)N[C@](C)([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)C1=O ZINC000076059013 436188627 /nfs/dbraw/zinc/18/86/27/436188627.db2.gz WZCVOHDAXWYSQT-SUNYJGFJSA-N 1 1 344.415 0.865 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@@H]2C)CC1 ZINC000076055688 436188750 /nfs/dbraw/zinc/18/87/50/436188750.db2.gz STQXRPHQGSKMOL-YOEHRIQHSA-N 1 1 336.480 0.387 50 0 ECAAMO O=C([C@@H]1CCCO1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000077134239 436224947 /nfs/dbraw/zinc/22/49/47/436224947.db2.gz JLPFXHSYSYFWQD-AWEZNQCLSA-N 1 1 347.419 0.141 50 0 ECAAMO COCC[N@@H+](C)CCN1CC2(CCN(c3ncccn3)CC2)OC1=O ZINC000077339116 436233245 /nfs/dbraw/zinc/23/32/45/436233245.db2.gz VISLQQUDJNOTLW-UHFFFAOYSA-N 1 1 349.435 0.846 50 0 ECAAMO OCCN1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000032908922 436247745 /nfs/dbraw/zinc/24/77/45/436247745.db2.gz GWDWUYHSFRUFGM-UHFFFAOYSA-N 1 1 347.467 0.186 50 0 ECAAMO Cc1ccn2ncc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2n1 ZINC000078789109 436277921 /nfs/dbraw/zinc/27/79/21/436277921.db2.gz MKEASNCTBPQCHZ-CABCVRRESA-N 1 1 329.404 0.709 50 0 ECAAMO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000078898955 436283280 /nfs/dbraw/zinc/28/32/80/436283280.db2.gz XEPCEEAHFJNHQE-LRDDRELGSA-N 1 1 339.461 0.594 50 0 ECAAMO NC(=O)C[NH+]1CCC(NC(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000045056793 436360238 /nfs/dbraw/zinc/36/02/38/436360238.db2.gz ORCLMLVHOJAWIJ-UHFFFAOYSA-N 1 1 335.795 0.667 50 0 ECAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000086062642 436392877 /nfs/dbraw/zinc/39/28/77/436392877.db2.gz NELXOBPOTDGLGF-CQSZACIVSA-N 1 1 342.399 0.400 50 0 ECAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2noc3ccccc23)CC1 ZINC000046449158 436395661 /nfs/dbraw/zinc/39/56/61/436395661.db2.gz KZLFWNAQLDCBOQ-UHFFFAOYSA-N 1 1 330.388 0.697 50 0 ECAAMO COc1cccc(CO[C@@H](C)C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000046747254 436399663 /nfs/dbraw/zinc/39/96/63/436399663.db2.gz YBEPADUJXPMYFL-ZDUSSCGKSA-N 1 1 349.431 0.666 50 0 ECAAMO Cn1cc(-c2nc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cs2)cn1 ZINC000044967030 436357491 /nfs/dbraw/zinc/35/74/91/436357491.db2.gz NNTUXVMFDQUUCD-UHFFFAOYSA-N 1 1 348.432 0.223 50 0 ECAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H](CNC(N)=O)C3)cc(=O)n12 ZINC000048287348 436447499 /nfs/dbraw/zinc/44/74/99/436447499.db2.gz YDSSIORKUMDYHO-NSHDSACASA-N 1 1 335.433 0.945 50 0 ECAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CO ZINC000091288742 436448514 /nfs/dbraw/zinc/44/85/14/436448514.db2.gz ZCDIWPAZICOCMQ-HZPDHXFCSA-N 1 1 337.439 1.000 50 0 ECAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CO ZINC000091288742 436448519 /nfs/dbraw/zinc/44/85/19/436448519.db2.gz ZCDIWPAZICOCMQ-HZPDHXFCSA-N 1 1 337.439 1.000 50 0 ECAAMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325726 436449491 /nfs/dbraw/zinc/44/94/91/436449491.db2.gz GFJSWGGSURVWGZ-HZPDHXFCSA-N 1 1 335.452 0.214 50 0 ECAAMO Cc1cc(N[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2C2CC2)ncn1 ZINC000092020778 436464899 /nfs/dbraw/zinc/46/48/99/436464899.db2.gz OOGFHRKOHOPFSV-CVEARBPZSA-N 1 1 345.447 0.766 50 0 ECAAMO CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000089948596 436423620 /nfs/dbraw/zinc/42/36/20/436423620.db2.gz FFJJQNCULMPJJS-GOEBONIOSA-N 1 1 348.447 0.498 50 0 ECAAMO c1nc2c(ncnc2N2CCC([NH2+]CCCn3cnnc3)CC2)[nH]1 ZINC000096131992 436515792 /nfs/dbraw/zinc/51/57/92/436515792.db2.gz KRDBKVVVWOHXBO-UHFFFAOYSA-N 1 1 327.396 0.593 50 0 ECAAMO O=C(CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000052835495 436517155 /nfs/dbraw/zinc/51/71/55/436517155.db2.gz VYZRQRYTHWUKNC-INIZCTEOSA-N 1 1 331.416 0.799 50 0 ECAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](CCCn3cnnn3)C[C@H]21 ZINC000095498329 436495912 /nfs/dbraw/zinc/49/59/12/436495912.db2.gz ATQUJKNPWJKXNR-NVXWUHKLSA-N 1 1 345.403 0.542 50 0 ECAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC000096436928 436532861 /nfs/dbraw/zinc/53/28/61/436532861.db2.gz WPHXLYDMQKNNDW-UHFFFAOYSA-N 1 1 337.387 0.963 50 0 ECAAMO C[N@H+](CC(=O)N1CCOCC1)C1CCN(CCc2ccccn2)CC1 ZINC000096455909 436532908 /nfs/dbraw/zinc/53/29/08/436532908.db2.gz BNUBXUHCMFICIE-UHFFFAOYSA-N 1 1 346.475 0.879 50 0 ECAAMO C[N@@H+](CC(=O)N1CCOCC1)C1CCN(CCc2ccccn2)CC1 ZINC000096455909 436532912 /nfs/dbraw/zinc/53/29/12/436532912.db2.gz BNUBXUHCMFICIE-UHFFFAOYSA-N 1 1 346.475 0.879 50 0 ECAAMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)C1 ZINC000096502487 436533939 /nfs/dbraw/zinc/53/39/39/436533939.db2.gz BEIUMFREUZRCBB-OAHLLOKOSA-N 1 1 338.839 0.710 50 0 ECAAMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)C1 ZINC000096502487 436533944 /nfs/dbraw/zinc/53/39/44/436533944.db2.gz BEIUMFREUZRCBB-OAHLLOKOSA-N 1 1 338.839 0.710 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCN2CCCC2=O)C1 ZINC000096990971 436535751 /nfs/dbraw/zinc/53/57/51/436535751.db2.gz NKWPBSCHKRJKPT-HNNXBMFYSA-N 1 1 340.468 0.655 50 0 ECAAMO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N[C@@H]1CCCCNC1=O ZINC000097200694 436541703 /nfs/dbraw/zinc/54/17/03/436541703.db2.gz KQEWKXXVRSLBNF-HUUCEWRRSA-N 1 1 345.447 0.600 50 0 ECAAMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)N[C@@H]1CCCCNC1=O ZINC000097200694 436541708 /nfs/dbraw/zinc/54/17/08/436541708.db2.gz KQEWKXXVRSLBNF-HUUCEWRRSA-N 1 1 345.447 0.600 50 0 ECAAMO Cc1csc(N2CC[N@H+](C[C@@H](O)CN3CCOCC3)C[C@H]2C)n1 ZINC000106785527 436601173 /nfs/dbraw/zinc/60/11/73/436601173.db2.gz PERLYJHXRRAWLE-CABCVRRESA-N 1 1 340.493 0.655 50 0 ECAAMO CCn1cc(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000114330881 436640730 /nfs/dbraw/zinc/64/07/30/436640730.db2.gz HZQFUGKHWLMMSN-KRWDZBQOSA-N 1 1 349.479 0.770 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1C ZINC000064923076 436650563 /nfs/dbraw/zinc/65/05/63/436650563.db2.gz JXLWLQSNCJVSAS-LBPRGKRZSA-N 1 1 343.449 0.883 50 0 ECAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000194029107 436657181 /nfs/dbraw/zinc/65/71/81/436657181.db2.gz AGQROYRWSHZXNN-CQSZACIVSA-N 1 1 346.431 0.549 50 0 ECAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000194029107 436657185 /nfs/dbraw/zinc/65/71/85/436657185.db2.gz AGQROYRWSHZXNN-CQSZACIVSA-N 1 1 346.431 0.549 50 0 ECAAMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000229514886 436714815 /nfs/dbraw/zinc/71/48/15/436714815.db2.gz FTLHGAJVIWBVAJ-YYIAUSFCSA-N 1 1 337.468 0.460 50 0 ECAAMO Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)N2CC[NH+](C)CC2)cn1 ZINC000222583880 436703317 /nfs/dbraw/zinc/70/33/17/436703317.db2.gz IJAWMAKZYXFBCR-CVEARBPZSA-N 1 1 334.420 0.883 50 0 ECAAMO COc1cccc(CN2CCN(C)[C@H](CO)C2)c1OCC[NH+](C)C ZINC000225330707 436709492 /nfs/dbraw/zinc/70/94/92/436709492.db2.gz HPKTVGCQYFMYLP-INIZCTEOSA-N 1 1 337.464 0.744 50 0 ECAAMO C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C1CC1 ZINC000065447512 436661412 /nfs/dbraw/zinc/66/14/12/436661412.db2.gz BXFGMFOVNXXPLX-LBPRGKRZSA-N 1 1 345.399 0.979 50 0 ECAAMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccccn1 ZINC000065449592 436662236 /nfs/dbraw/zinc/66/22/36/436662236.db2.gz GPHJLRPKOJRTEH-HNNXBMFYSA-N 1 1 333.436 0.857 50 0 ECAAMO O=C1CCCN1CCC[N@@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000065552530 436666736 /nfs/dbraw/zinc/66/67/36/436666736.db2.gz CGBGHBBYRMPKOF-UHFFFAOYSA-N 1 1 345.447 0.684 50 0 ECAAMO O=C1CCCN1CCC[N@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000065552530 436666739 /nfs/dbraw/zinc/66/67/39/436666739.db2.gz CGBGHBBYRMPKOF-UHFFFAOYSA-N 1 1 345.447 0.684 50 0 ECAAMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCOCC1)c1cccc(F)c1 ZINC000065609056 436668667 /nfs/dbraw/zinc/66/86/67/436668667.db2.gz UPPDZUXQGULKDD-AWEZNQCLSA-N 1 1 331.413 0.595 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4C[N@@H+](C)CCN4C3)cc2n1 ZINC000067789420 436723183 /nfs/dbraw/zinc/72/31/83/436723183.db2.gz JPLRZBIHJHJBTG-KBPBESRZSA-N 1 1 328.420 0.464 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CN(C)CC[N@@H+]4C3)cc2n1 ZINC000067789420 436723185 /nfs/dbraw/zinc/72/31/85/436723185.db2.gz JPLRZBIHJHJBTG-KBPBESRZSA-N 1 1 328.420 0.464 50 0 ECAAMO Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CN(C)CC[N@H+]4C3)cc2n1 ZINC000067789420 436723191 /nfs/dbraw/zinc/72/31/91/436723191.db2.gz JPLRZBIHJHJBTG-KBPBESRZSA-N 1 1 328.420 0.464 50 0 ECAAMO COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N2CCCC2)c1 ZINC000237314393 436730970 /nfs/dbraw/zinc/73/09/70/436730970.db2.gz BKJZKPUCFGDAPC-OIISXLGYSA-N 1 1 333.432 0.671 50 0 ECAAMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3COCCN3)CC2)C[C@H](C)O1 ZINC000237606467 436740042 /nfs/dbraw/zinc/74/00/42/436740042.db2.gz LNDIWMYCVZTQCV-UXLLHSPISA-N 1 1 339.480 0.713 50 0 ECAAMO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153434842 436756858 /nfs/dbraw/zinc/75/68/58/436756858.db2.gz GQFURWXKZODURY-GHMZBOCLSA-N 1 1 342.403 0.287 50 0 ECAAMO COc1ccc(COC[C@@H](O)C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241644175 436759245 /nfs/dbraw/zinc/75/92/45/436759245.db2.gz POXVJIKMUMBKIA-GJZGRUSLSA-N 1 1 343.445 0.692 50 0 ECAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241644175 436759249 /nfs/dbraw/zinc/75/92/49/436759249.db2.gz POXVJIKMUMBKIA-GJZGRUSLSA-N 1 1 343.445 0.692 50 0 ECAAMO C[C@H]1C[N@@H+](CCCN2CCCC2=O)CCN1c1ccc2nncn2n1 ZINC000069458644 436774709 /nfs/dbraw/zinc/77/47/09/436774709.db2.gz LJYLRMFHZBTZMX-AWEZNQCLSA-N 1 1 343.435 0.647 50 0 ECAAMO NC(=O)NC(=O)CC[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069582294 436781410 /nfs/dbraw/zinc/78/14/10/436781410.db2.gz UYRVXYJOVOLXDE-UHFFFAOYSA-N 1 1 330.392 0.660 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000252537306 436837983 /nfs/dbraw/zinc/83/79/83/436837983.db2.gz KXUWXNISRTYLFX-TZMCWYRMSA-N 1 1 348.403 0.895 50 0 ECAAMO CC[N@@H+](CCO)CCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000274505948 436835562 /nfs/dbraw/zinc/83/55/62/436835562.db2.gz GCQAAWARFMZRKN-UHFFFAOYSA-N 1 1 335.383 0.759 50 0 ECAAMO CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3nnnn3C3CC3)C[C@H]2C)CC1 ZINC000257365931 436877018 /nfs/dbraw/zinc/87/70/18/436877018.db2.gz CMVKBNDQXVJWKZ-CZUORRHYSA-N 1 1 347.467 0.383 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]2C)CC1 ZINC000299754053 437109440 /nfs/dbraw/zinc/10/94/40/437109440.db2.gz SFEPEFBKGCLGLF-GDBMZVCRSA-N 1 1 345.509 0.296 50 0 ECAAMO COCc1cc(CNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000426390023 438056527 /nfs/dbraw/zinc/05/65/27/438056527.db2.gz YXWPXZFWZNIMJI-GFCCVEGCSA-N 1 1 332.408 0.536 50 0 ECAAMO OCCNc1nc(NCc2[nH]nc3c2CCC3)cc([C@@H]2CCOC2)[nH+]1 ZINC000426489503 438059972 /nfs/dbraw/zinc/05/99/72/438059972.db2.gz GLDDPVVKXZZKLR-LLVKDONJSA-N 1 1 344.419 0.052 50 0 ECAAMO Cc1cc(C(N)=O)ccc1NC(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000426717019 438070353 /nfs/dbraw/zinc/07/03/53/438070353.db2.gz RPBFMSQXCKVLKS-ZDUSSCGKSA-N 1 1 334.420 0.920 50 0 ECAAMO Cc1ccnc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)c1 ZINC000426700079 438070715 /nfs/dbraw/zinc/07/07/15/438070715.db2.gz QONHDQKFUMDGGB-ZDUSSCGKSA-N 1 1 329.404 0.544 50 0 ECAAMO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000408517495 438581828 /nfs/dbraw/zinc/58/18/28/438581828.db2.gz JNNJLNXOGSHDSH-UHFFFAOYSA-N 1 1 326.422 0.204 50 0 ECAAMO O=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000534583397 439529599 /nfs/dbraw/zinc/52/95/99/439529599.db2.gz LYDHHIKBSGNAER-ONGXEEELSA-N 1 1 341.414 0.764 50 0 ECAAMO C[C@H](CNC(=O)NCC(C)(CO)CO)[N@H+]1CCc2ccccc2C1 ZINC000585137452 439633694 /nfs/dbraw/zinc/63/36/94/439633694.db2.gz ZVMISNZJJFVQSO-CQSZACIVSA-N 1 1 335.448 0.723 50 0 ECAAMO O=S1(=O)C[C@@H](O)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000584903704 439626768 /nfs/dbraw/zinc/62/67/68/439626768.db2.gz OQZGRCSRIWTVFY-IAGOWNOFSA-N 1 1 338.473 0.441 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000189864447 534844361 /nfs/dbraw/zinc/84/43/61/534844361.db2.gz CJTRHQJUECXBLV-ZFWWWQNUSA-N 1 1 348.378 0.537 50 0 ECAAMO NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000189864447 534844365 /nfs/dbraw/zinc/84/43/65/534844365.db2.gz CJTRHQJUECXBLV-ZFWWWQNUSA-N 1 1 348.378 0.537 50 0 ECAAMO C[NH+]1CCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)CC1 ZINC000227160652 536404878 /nfs/dbraw/zinc/40/48/78/536404878.db2.gz HLNCLBKWCGXGRY-UHFFFAOYSA-N 1 1 333.367 0.770 50 0 ECAAMO CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000952977337 612139739 /nfs/dbraw/zinc/13/97/39/612139739.db2.gz PUULMUHYEKKIAG-CQSZACIVSA-N 1 1 346.431 0.961 50 0 ECAAMO CCN1CCN(CC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)CC1 ZINC000952988182 612140205 /nfs/dbraw/zinc/14/02/05/612140205.db2.gz MQQFZQNFAGJDDY-UHFFFAOYSA-N 1 1 338.496 0.073 50 0 ECAAMO Cc1nc(CNC(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n[nH]1 ZINC000426623094 753765265 /nfs/dbraw/zinc/76/52/65/753765265.db2.gz UMUGJFGLGPEXSP-ZDUSSCGKSA-N 1 1 349.483 0.671 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC000053761925 214197339 /nfs/dbraw/zinc/19/73/39/214197339.db2.gz ALFBYOZGWPSMGH-HNNXBMFYSA-N 1 1 344.419 0.749 50 0 ECAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N3CCNC3=O)C2)n1 ZINC000054203984 214224867 /nfs/dbraw/zinc/22/48/67/214224867.db2.gz SEBHDYWXZPWZHG-ZDUSSCGKSA-N 1 1 345.403 0.592 50 0 ECAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000097772981 219056053 /nfs/dbraw/zinc/05/60/53/219056053.db2.gz SSHBRGGIDMCVNG-OAHLLOKOSA-N 1 1 333.436 0.625 50 0 ECAAMO CN(C)c1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(F)c1 ZINC000178599271 529776658 /nfs/dbraw/zinc/77/66/58/529776658.db2.gz IYTXZWSMSAUSRX-UHFFFAOYSA-N 1 1 336.411 0.786 50 0 ECAAMO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101768559 219163192 /nfs/dbraw/zinc/16/31/92/219163192.db2.gz WPUJXZGHSRQYSH-LLVKDONJSA-N 1 1 328.825 0.952 50 0 ECAAMO O=C(c1scc2c1OCCO2)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067696015 215189535 /nfs/dbraw/zinc/18/95/35/215189535.db2.gz DNSVUDQHMIXISA-UHFFFAOYSA-N 1 1 337.401 0.214 50 0 ECAAMO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCC(c2ccccc2)CC1 ZINC000067754417 215203478 /nfs/dbraw/zinc/20/34/78/215203478.db2.gz RDKFRGDQANPZSX-SJORKVTESA-N 1 1 344.459 0.540 50 0 ECAAMO Nc1nnnn1CC(=O)NC[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000067849924 215229451 /nfs/dbraw/zinc/22/94/51/215229451.db2.gz GHCQVHQIFDJNIC-ZDUSSCGKSA-N 1 1 335.456 0.806 50 0 ECAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O ZINC000067852073 215231739 /nfs/dbraw/zinc/23/17/39/215231739.db2.gz BPLLSYNOIINZAQ-LLVKDONJSA-N 1 1 332.360 0.298 50 0 ECAAMO CCc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCOCC2)[nH+]1 ZINC000067955815 215258409 /nfs/dbraw/zinc/25/84/09/215258409.db2.gz RRKASDFOVJOUOE-UHFFFAOYSA-N 1 1 344.419 0.585 50 0 ECAAMO CNc1ncccc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067955148 215259292 /nfs/dbraw/zinc/25/92/92/215259292.db2.gz FJQBTLFJDGQMJS-UHFFFAOYSA-N 1 1 331.420 0.550 50 0 ECAAMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)Cc1ccco1)c(=O)n2C ZINC000040473958 213311627 /nfs/dbraw/zinc/31/16/27/213311627.db2.gz CELNUWGTIMZPSC-UHFFFAOYSA-N 1 1 331.376 0.549 50 0 ECAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000069598382 215492946 /nfs/dbraw/zinc/49/29/46/215492946.db2.gz JZPCTRHIXAYRDK-KGLIPLIRSA-N 1 1 348.447 0.936 50 0 ECAAMO CN(C)c1cccc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCCC2)c1 ZINC000072138806 216025917 /nfs/dbraw/zinc/02/59/17/216025917.db2.gz KNFYWCILDNAPPV-INIZCTEOSA-N 1 1 330.432 0.789 50 0 ECAAMO O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072153260 216042620 /nfs/dbraw/zinc/04/26/20/216042620.db2.gz JHNKSNFCTMBRSI-KRWDZBQOSA-N 1 1 343.387 0.303 50 0 ECAAMO CCNc1nc(C)c(C(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)s1 ZINC000072154438 216043327 /nfs/dbraw/zinc/04/33/27/216043327.db2.gz URLRCECIBALPFZ-NSHDSACASA-N 1 1 337.449 0.576 50 0 ECAAMO Cc1cc(=O)n(CC(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)nc1C ZINC000072157760 216047087 /nfs/dbraw/zinc/04/70/87/216047087.db2.gz ZFAREJCFMIVLAK-INIZCTEOSA-N 1 1 348.447 0.308 50 0 ECAAMO COc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1F ZINC000072271298 216094670 /nfs/dbraw/zinc/09/46/70/216094670.db2.gz NUPFUCPFNGWLTC-LBPRGKRZSA-N 1 1 331.413 0.839 50 0 ECAAMO COc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1F ZINC000072271298 216094674 /nfs/dbraw/zinc/09/46/74/216094674.db2.gz NUPFUCPFNGWLTC-LBPRGKRZSA-N 1 1 331.413 0.839 50 0 ECAAMO Cc1nc(CC2CCN(C(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)CC2)no1 ZINC000072429620 216221961 /nfs/dbraw/zinc/22/19/61/216221961.db2.gz JXFUKPMWGLMFMI-OAHLLOKOSA-N 1 1 330.392 0.769 50 0 ECAAMO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CC[C@H]21 ZINC000072474280 216251969 /nfs/dbraw/zinc/25/19/69/216251969.db2.gz QHKYUKGCGMTYFF-SWLSCSKDSA-N 1 1 342.403 0.370 50 0 ECAAMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000025300720 212472035 /nfs/dbraw/zinc/47/20/35/212472035.db2.gz XDETYJKTSNMHGF-KRWDZBQOSA-N 1 1 347.459 0.631 50 0 ECAAMO O=C(CCn1cncn1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023443885 212378304 /nfs/dbraw/zinc/37/83/04/212378304.db2.gz BESVPMWHFWQANJ-UHFFFAOYSA-N 1 1 329.404 0.817 50 0 ECAAMO C[NH+]1CCN(CP(=O)(N2CCOCC2)N2CCOCC2)CC1 ZINC000022036306 212272071 /nfs/dbraw/zinc/27/20/71/212272071.db2.gz ZPPBAYQTVQLYLX-UHFFFAOYSA-N 1 1 332.385 0.049 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000244788047 243083255 /nfs/dbraw/zinc/08/32/55/243083255.db2.gz QIGGMMUSXKWRFP-CQSZACIVSA-N 1 1 348.451 0.120 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000244788047 243083261 /nfs/dbraw/zinc/08/32/61/243083261.db2.gz QIGGMMUSXKWRFP-CQSZACIVSA-N 1 1 348.451 0.120 50 0 ECAAMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000078680177 217101645 /nfs/dbraw/zinc/10/16/45/217101645.db2.gz WCBFRXDRKCQJLI-ZIAGYGMSSA-N 1 1 331.482 0.791 50 0 ECAAMO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000078922900 217149178 /nfs/dbraw/zinc/14/91/78/217149178.db2.gz VCLSSLMAUCMUKP-WBVHZDCISA-N 1 1 333.432 0.827 50 0 ECAAMO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000078922900 217149182 /nfs/dbraw/zinc/14/91/82/217149182.db2.gz VCLSSLMAUCMUKP-WBVHZDCISA-N 1 1 333.432 0.827 50 0 ECAAMO CCc1nc(C)c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000091505254 218014722 /nfs/dbraw/zinc/01/47/22/218014722.db2.gz XOOBOOAMZXHGQM-ZIAGYGMSSA-N 1 1 337.420 0.558 50 0 ECAAMO COCC(C)(C)C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091620170 218032262 /nfs/dbraw/zinc/03/22/62/218032262.db2.gz YDBXVALLSAUUJK-QKPAOTATSA-N 1 1 342.480 0.835 50 0 ECAAMO O=C(CN1C(=O)CNC1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000091586816 218025873 /nfs/dbraw/zinc/02/58/73/218025873.db2.gz AQSKBGPKVPXLPK-UHFFFAOYSA-N 1 1 348.378 0.412 50 0 ECAAMO O=C(CN1C(=O)CNC1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000091586816 218025875 /nfs/dbraw/zinc/02/58/75/218025875.db2.gz AQSKBGPKVPXLPK-UHFFFAOYSA-N 1 1 348.378 0.412 50 0 ECAAMO CC(C)[C@H]1CN(c2cc[nH+]c(N)n2)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091695404 218050406 /nfs/dbraw/zinc/05/04/06/218050406.db2.gz YARNVRVZZMMMRJ-OLZOCXBDSA-N 1 1 346.435 0.258 50 0 ECAAMO CCCc1ncncc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091645006 218039064 /nfs/dbraw/zinc/03/90/64/218039064.db2.gz KGBXMGZMVDWJAN-SFHVURJKSA-N 1 1 345.447 0.856 50 0 ECAAMO CCN1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000091997737 218101184 /nfs/dbraw/zinc/10/11/84/218101184.db2.gz USUIHRPXPBLJMF-INIZCTEOSA-N 1 1 330.432 0.984 50 0 ECAAMO CCN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000091997737 218101187 /nfs/dbraw/zinc/10/11/87/218101187.db2.gz USUIHRPXPBLJMF-INIZCTEOSA-N 1 1 330.432 0.984 50 0 ECAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000095374320 218306337 /nfs/dbraw/zinc/30/63/37/218306337.db2.gz KRZICHAWSMQTME-MRXNPFEDSA-N 1 1 346.431 0.221 50 0 ECAAMO COCCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000239760916 285061840 /nfs/dbraw/zinc/06/18/40/285061840.db2.gz CIIOPLDBKDKVGT-IRXDYDNUSA-N 1 1 345.443 0.997 50 0 ECAAMO COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000239760916 285061842 /nfs/dbraw/zinc/06/18/42/285061842.db2.gz CIIOPLDBKDKVGT-IRXDYDNUSA-N 1 1 345.443 0.997 50 0 ECAAMO CNc1cc[nH+]c(N2CCN(C(=O)Cc3ccccc3)C[C@H](O)C2)n1 ZINC000097307185 219010997 /nfs/dbraw/zinc/01/09/97/219010997.db2.gz XWUSDXNCESWIBK-HNNXBMFYSA-N 1 1 341.415 0.771 50 0 ECAAMO COCCC[NH+]1CCN(C(=O)c2cccc(-n3cnnc3)n2)CC1 ZINC000097259305 219006277 /nfs/dbraw/zinc/00/62/77/219006277.db2.gz QVCDUQHQDOIXNR-UHFFFAOYSA-N 1 1 330.392 0.457 50 0 ECAAMO Cc1cc(C)n(C)c(=O)c1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097480119 219029784 /nfs/dbraw/zinc/02/97/84/219029784.db2.gz HUVFJQSWVZOCEH-CQSZACIVSA-N 1 1 348.447 0.319 50 0 ECAAMO COCC(=O)N1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@@H]2CO ZINC000097568965 219035404 /nfs/dbraw/zinc/03/54/04/219035404.db2.gz MKNWGMGBXISDFD-OAHLLOKOSA-N 1 1 340.464 0.735 50 0 ECAAMO NC(=O)COc1cccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299760424 258077367 /nfs/dbraw/zinc/07/73/67/258077367.db2.gz HDLLGEIADVSJSW-HOTGVXAUSA-N 1 1 343.387 0.488 50 0 ECAAMO Cc1ccc(C(=O)NCCC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000299762299 258079067 /nfs/dbraw/zinc/07/90/67/258079067.db2.gz SZVYNTRSTSYUAN-MRXNPFEDSA-N 1 1 347.459 0.935 50 0 ECAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1nc2ccccc2[nH]c1=O ZINC000299766924 258081760 /nfs/dbraw/zinc/08/17/60/258081760.db2.gz DIUHOSDCECQHOH-GFCCVEGCSA-N 1 1 330.388 0.770 50 0 ECAAMO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000193357957 286694163 /nfs/dbraw/zinc/69/41/63/286694163.db2.gz BOMBPOZLIICHLE-NSHDSACASA-N 1 1 332.447 0.463 50 0 ECAAMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000190367829 165021085 /nfs/dbraw/zinc/02/10/85/165021085.db2.gz GXQIZKSQFREMBV-HNNXBMFYSA-N 1 1 344.481 0.646 50 0 ECAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000069737738 435962271 /nfs/dbraw/zinc/96/22/71/435962271.db2.gz UPRWHNDYUQUALA-OAHLLOKOSA-N 1 1 345.447 0.465 50 0 ECAAMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000069737738 435962275 /nfs/dbraw/zinc/96/22/75/435962275.db2.gz UPRWHNDYUQUALA-OAHLLOKOSA-N 1 1 345.447 0.465 50 0 ECAAMO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000002150823 435964098 /nfs/dbraw/zinc/96/40/98/435964098.db2.gz BPSWLWCASKMLQS-QWHCGFSZSA-N 1 1 335.404 0.258 50 0 ECAAMO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000069770767 435964673 /nfs/dbraw/zinc/96/46/73/435964673.db2.gz VHOYKKPYZDZBQZ-HUUCEWRRSA-N 1 1 333.436 0.523 50 0 ECAAMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000069770767 435964678 /nfs/dbraw/zinc/96/46/78/435964678.db2.gz VHOYKKPYZDZBQZ-HUUCEWRRSA-N 1 1 333.436 0.523 50 0 ECAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)CCCS(N)(=O)=O)C2)nn1 ZINC000069779522 435965135 /nfs/dbraw/zinc/96/51/35/435965135.db2.gz SYNZYUJCOUVJHV-CYBMUJFWSA-N 1 1 327.454 0.364 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069818381 435967496 /nfs/dbraw/zinc/96/74/96/435967496.db2.gz NOICWJZRQCBQMT-HOCLYGCPSA-N 1 1 346.431 0.278 50 0 ECAAMO C[C@H]1CN(CC(=O)N2CCNC2=O)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069818381 435967503 /nfs/dbraw/zinc/96/75/03/435967503.db2.gz NOICWJZRQCBQMT-HOCLYGCPSA-N 1 1 346.431 0.278 50 0 ECAAMO CC(C)N1C[C@H](C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1=O ZINC000069951059 435980858 /nfs/dbraw/zinc/98/08/58/435980858.db2.gz PLXZEBVDAOZIJV-MRXNPFEDSA-N 1 1 347.463 0.711 50 0 ECAAMO CC(C)N1C[C@H](C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1=O ZINC000069951059 435980866 /nfs/dbraw/zinc/98/08/66/435980866.db2.gz PLXZEBVDAOZIJV-MRXNPFEDSA-N 1 1 347.463 0.711 50 0 ECAAMO O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069596192 435949703 /nfs/dbraw/zinc/94/97/03/435949703.db2.gz POGVOALKNLKDEB-KGLIPLIRSA-N 1 1 346.387 0.911 50 0 ECAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000071759728 436009396 /nfs/dbraw/zinc/00/93/96/436009396.db2.gz NDJYXJCEZGKODE-OAHLLOKOSA-N 1 1 347.463 0.920 50 0 ECAAMO CC(C)[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1O ZINC000071837351 436015297 /nfs/dbraw/zinc/01/52/97/436015297.db2.gz JDIRHRAZYAOXNJ-UHFFFAOYSA-N 1 1 329.422 0.921 50 0 ECAAMO CS(=O)(=O)c1cccc(OCC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000071836639 436016732 /nfs/dbraw/zinc/01/67/32/436016732.db2.gz VFLPBIJKVUMRHO-UHFFFAOYSA-N 1 1 338.429 0.776 50 0 ECAAMO Cc1cc(C)n2nc(CC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)nc2n1 ZINC000071839790 436018037 /nfs/dbraw/zinc/01/80/37/436018037.db2.gz VMNAVBWQMZYDJJ-CQSZACIVSA-N 1 1 328.420 0.980 50 0 ECAAMO Cc1csc2nc(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cc(=O)n12 ZINC000071864164 436019851 /nfs/dbraw/zinc/01/98/51/436019851.db2.gz ZQHGODBJOZKUHV-DGCLKSJQSA-N 1 1 336.461 0.951 50 0 ECAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000071870605 436020869 /nfs/dbraw/zinc/02/08/69/436020869.db2.gz FRSABHBFPDOBIH-CYBMUJFWSA-N 1 1 326.422 0.391 50 0 ECAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000071870587 436021989 /nfs/dbraw/zinc/02/19/89/436021989.db2.gz ZFWVDAPOHPKMSH-ZIAGYGMSSA-N 1 1 340.449 0.779 50 0 ECAAMO Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000071877401 436024465 /nfs/dbraw/zinc/02/44/65/436024465.db2.gz BIGYIDZQBDSNDL-IAGOWNOFSA-N 1 1 349.475 0.877 50 0 ECAAMO COc1c([C@@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c(C)nn1C ZINC000072253717 436037674 /nfs/dbraw/zinc/03/76/74/436037674.db2.gz YULSDWPWCSAFJZ-ZDUSSCGKSA-N 1 1 347.419 0.472 50 0 ECAAMO COc1c([C@@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c(C)nn1C ZINC000072253717 436037680 /nfs/dbraw/zinc/03/76/80/436037680.db2.gz YULSDWPWCSAFJZ-ZDUSSCGKSA-N 1 1 347.419 0.472 50 0 ECAAMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300761 436043733 /nfs/dbraw/zinc/04/37/33/436043733.db2.gz ATFXHVDDRKJJNX-YVEFUNNKSA-N 1 1 348.403 0.548 50 0 ECAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2F)CC1 ZINC000012948228 436055822 /nfs/dbraw/zinc/05/58/22/436055822.db2.gz IUCMTWKLDAEBEQ-UHFFFAOYSA-N 1 1 329.397 0.512 50 0 ECAAMO COC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1C ZINC000014482416 436073795 /nfs/dbraw/zinc/07/37/95/436073795.db2.gz SHOFZFHZKMKBGO-UHFFFAOYSA-N 1 1 336.392 0.098 50 0 ECAAMO OC[C@@H]1CCCC[N@H+]1CCNc1nc2nonc2nc1N1CCCC1 ZINC000015062265 436076113 /nfs/dbraw/zinc/07/61/13/436076113.db2.gz XRDVODJNKUQSDO-LBPRGKRZSA-N 1 1 347.423 0.872 50 0 ECAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cncnc2)nc1 ZINC000075502064 436164322 /nfs/dbraw/zinc/16/43/22/436164322.db2.gz DHPKUCORLZIQGZ-UHFFFAOYSA-N 1 1 327.388 0.991 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000076055452 436187677 /nfs/dbraw/zinc/18/76/77/436187677.db2.gz ZJUJFGHULUYYLS-QAPCUYQASA-N 1 1 333.480 0.837 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2C)CC1 ZINC000076055123 436188846 /nfs/dbraw/zinc/18/88/46/436188846.db2.gz QXHMXSVUSJNYPY-WBVHZDCISA-N 1 1 336.480 0.483 50 0 ECAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000032751304 436242773 /nfs/dbraw/zinc/24/27/73/436242773.db2.gz XRZXBKMZBBGRMW-LBPRGKRZSA-N 1 1 344.415 0.948 50 0 ECAAMO O=C(CN1CCC[N@@H+](Cc2cccs2)CC1)N1CCNC(=O)C1 ZINC000030211586 436214926 /nfs/dbraw/zinc/21/49/26/436214926.db2.gz MOBRFBPRXLPGBU-UHFFFAOYSA-N 1 1 336.461 0.214 50 0 ECAAMO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000032909567 436247624 /nfs/dbraw/zinc/24/76/24/436247624.db2.gz GKASIUFBYKDJCY-UHFFFAOYSA-N 1 1 338.795 0.683 50 0 ECAAMO C[C@H]1C[N@@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000078898920 436283257 /nfs/dbraw/zinc/28/32/57/436283257.db2.gz MMJICISBXYTVGY-ONGXEEELSA-N 1 1 325.390 0.360 50 0 ECAAMO CCCn1nc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1=O ZINC000042577927 436308809 /nfs/dbraw/zinc/30/88/09/436308809.db2.gz RYSKSGJUEJWHTO-INIZCTEOSA-N 1 1 349.479 0.655 50 0 ECAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)CN3CCOC3=O)cc2C1 ZINC000082098124 436362113 /nfs/dbraw/zinc/36/21/13/436362113.db2.gz SRFFZUVPBIWTFQ-UHFFFAOYSA-N 1 1 349.435 0.813 50 0 ECAAMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000046215613 436388481 /nfs/dbraw/zinc/38/84/81/436388481.db2.gz XEAQJOYGQQIRIW-CYBMUJFWSA-N 1 1 339.461 0.441 50 0 ECAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000046883873 436404290 /nfs/dbraw/zinc/40/42/90/436404290.db2.gz YZTZQGKYRCJNFN-BETUJISGSA-N 1 1 346.435 0.224 50 0 ECAAMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n(C)c1 ZINC000046998200 436407974 /nfs/dbraw/zinc/40/79/74/436407974.db2.gz PINPFNJLCVIFLF-QWHCGFSZSA-N 1 1 340.449 0.290 50 0 ECAAMO CC[C@](C)(CNC(=O)COc1ccc(C(N)=O)cc1)[NH+]1CCOCC1 ZINC000048287460 436447218 /nfs/dbraw/zinc/44/72/18/436447218.db2.gz KWAULHQECNLVPS-GOSISDBHSA-N 1 1 349.431 0.781 50 0 ECAAMO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000048301084 436448162 /nfs/dbraw/zinc/44/81/62/436448162.db2.gz KEDBBUUZJYUHLU-LBPRGKRZSA-N 1 1 344.437 0.169 50 0 ECAAMO CC(C)Cn1cc(N2C[C@@H](C(=O)N3CC[NH+](C)CC3)CC2=O)cn1 ZINC000096192233 436521188 /nfs/dbraw/zinc/52/11/88/436521188.db2.gz XHXUDADRHICQBH-AWEZNQCLSA-N 1 1 333.436 0.666 50 0 ECAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000095402273 436495017 /nfs/dbraw/zinc/49/50/17/436495017.db2.gz DACHCELCWGMZQY-GJZGRUSLSA-N 1 1 346.435 0.711 50 0 ECAAMO Cc1cc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)nc(N(C)C)n1 ZINC000095530149 436499611 /nfs/dbraw/zinc/49/96/11/436499611.db2.gz LJSULGNZVGMTDH-HNNXBMFYSA-N 1 1 335.452 0.825 50 0 ECAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCN2CCCC2=O)C1 ZINC000096990970 436536504 /nfs/dbraw/zinc/53/65/04/436536504.db2.gz NKWPBSCHKRJKPT-OAHLLOKOSA-N 1 1 340.468 0.655 50 0 ECAAMO CCC(=O)Nc1ccc(C)n(CC(=O)N2CC[NH+](CC)CC2)c1=O ZINC000097938202 436543784 /nfs/dbraw/zinc/54/37/84/436543784.db2.gz ZLWBDGYXGFYLFL-UHFFFAOYSA-N 1 1 334.420 0.669 50 0 ECAAMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000058325576 436624087 /nfs/dbraw/zinc/62/40/87/436624087.db2.gz HQCJEYICQCWBBP-UHFFFAOYSA-N 1 1 345.399 0.649 50 0 ECAAMO O=C(C[NH+]1CCC(C(=O)NCCO)CC1)NCc1ccccc1F ZINC000058369281 436625759 /nfs/dbraw/zinc/62/57/59/436625759.db2.gz DPNSPDVIPQUASA-UHFFFAOYSA-N 1 1 337.395 0.262 50 0 ECAAMO Cc1csc(N2CC[N@H+](C[C@H](O)CN3CCOCC3)C[C@H]2C)n1 ZINC000106785528 436601132 /nfs/dbraw/zinc/60/11/32/436601132.db2.gz PERLYJHXRRAWLE-HUUCEWRRSA-N 1 1 340.493 0.655 50 0 ECAAMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000106864257 436603397 /nfs/dbraw/zinc/60/33/97/436603397.db2.gz VSNHEISULBEUPW-XHSDSOJGSA-N 1 1 335.452 0.069 50 0 ECAAMO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000107354786 436612291 /nfs/dbraw/zinc/61/22/91/436612291.db2.gz DCSCEDYFEVHONG-YCPHGPKFSA-N 1 1 335.448 0.567 50 0 ECAAMO Cc1cccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000065362346 301997175 /nfs/dbraw/zinc/99/71/75/301997175.db2.gz SHOBFBLZFMQTQZ-CQSZACIVSA-N 1 1 339.461 0.924 50 0 ECAAMO C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000221220277 436701030 /nfs/dbraw/zinc/70/10/30/436701030.db2.gz KOXJQUCXEIDNEV-ULAZLLGUSA-N 1 1 336.407 0.848 50 0 ECAAMO C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000221220277 436701035 /nfs/dbraw/zinc/70/10/35/436701035.db2.gz KOXJQUCXEIDNEV-ULAZLLGUSA-N 1 1 336.407 0.848 50 0 ECAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(Cn2ccnc2)CC1 ZINC000223410574 436706935 /nfs/dbraw/zinc/70/69/35/436706935.db2.gz MVHDJWNXWUQLNO-INIZCTEOSA-N 1 1 347.463 0.721 50 0 ECAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(Cn2ccnc2)CC1 ZINC000223410574 436706942 /nfs/dbraw/zinc/70/69/42/436706942.db2.gz MVHDJWNXWUQLNO-INIZCTEOSA-N 1 1 347.463 0.721 50 0 ECAAMO C[N@H+]1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@H]1CO ZINC000225435165 436709439 /nfs/dbraw/zinc/70/94/39/436709439.db2.gz GHULRQYBMJDOMH-SFHVURJKSA-N 1 1 349.475 0.506 50 0 ECAAMO NC(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000065434186 436660681 /nfs/dbraw/zinc/66/06/81/436660681.db2.gz RDTXDQWPOYAQKS-CQSZACIVSA-N 1 1 342.403 0.764 50 0 ECAAMO O=C(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccccn1 ZINC000065449594 436661360 /nfs/dbraw/zinc/66/13/60/436661360.db2.gz GPHJLRPKOJRTEH-OAHLLOKOSA-N 1 1 333.436 0.857 50 0 ECAAMO CN1CCN2CC[N@@H+](Cc3ccc(Cn4cccn4)cc3)C[C@@H]2C1=O ZINC000065494809 436665200 /nfs/dbraw/zinc/66/52/00/436665200.db2.gz ZSJXONWQMBQRRF-GOSISDBHSA-N 1 1 339.443 0.890 50 0 ECAAMO Cn1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)nn1 ZINC000065536515 436665912 /nfs/dbraw/zinc/66/59/12/436665912.db2.gz UBLUKDIRZJHLSH-CQSZACIVSA-N 1 1 342.403 0.765 50 0 ECAAMO CC(C)([NH3+])c1cn(C2CCN(c3ncnc4[nH]cnc43)CC2)nn1 ZINC000067854970 436727390 /nfs/dbraw/zinc/72/73/90/436727390.db2.gz GCKJNEJVMCQZRC-UHFFFAOYSA-N 1 1 327.396 0.980 50 0 ECAAMO CCc1nc([C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n[nH]1 ZINC000229827308 436717499 /nfs/dbraw/zinc/71/74/99/436717499.db2.gz NKLXFNFIVXJFCG-OCCSQVGLSA-N 1 1 336.392 0.911 50 0 ECAAMO O=C(CC1OCCCO1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000249154889 436817616 /nfs/dbraw/zinc/81/76/16/436817616.db2.gz WJIOFEDOJGBBOV-JKSUJKDBSA-N 1 1 334.416 0.891 50 0 ECAAMO O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000069452913 436774812 /nfs/dbraw/zinc/77/48/12/436774812.db2.gz KIUKRJHDMQFJEB-PMPSAXMXSA-N 1 1 333.436 0.913 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000247944749 436797587 /nfs/dbraw/zinc/79/75/87/436797587.db2.gz VZYFXAUEDHRFSA-HOTGVXAUSA-N 1 1 347.463 0.749 50 0 ECAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCCCNC2=O)n1 ZINC000247944749 436797589 /nfs/dbraw/zinc/79/75/89/436797589.db2.gz VZYFXAUEDHRFSA-HOTGVXAUSA-N 1 1 347.463 0.749 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000248143389 436801045 /nfs/dbraw/zinc/80/10/45/436801045.db2.gz RCBDHBDKKSKOEO-CYBMUJFWSA-N 1 1 328.438 0.296 50 0 ECAAMO Cn1cc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000248143389 436801048 /nfs/dbraw/zinc/80/10/48/436801048.db2.gz RCBDHBDKKSKOEO-CYBMUJFWSA-N 1 1 328.438 0.296 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000253388874 436839796 /nfs/dbraw/zinc/83/97/96/436839796.db2.gz GCQIRYNFXKYVCE-NEPJUHHUSA-N 1 1 334.420 0.361 50 0 ECAAMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000253388874 436839799 /nfs/dbraw/zinc/83/97/99/436839799.db2.gz GCQIRYNFXKYVCE-NEPJUHHUSA-N 1 1 334.420 0.361 50 0 ECAAMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253404696 436841899 /nfs/dbraw/zinc/84/18/99/436841899.db2.gz HXWBIGFJTBFUFU-JKSUJKDBSA-N 1 1 329.404 0.346 50 0 ECAAMO Cc1nn(C)cc1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253404696 436841902 /nfs/dbraw/zinc/84/19/02/436841902.db2.gz HXWBIGFJTBFUFU-JKSUJKDBSA-N 1 1 329.404 0.346 50 0 ECAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253409622 436844416 /nfs/dbraw/zinc/84/44/16/436844416.db2.gz MCXLRBIYIOBDKH-GOEBONIOSA-N 1 1 330.388 0.909 50 0 ECAAMO Cc1noc(C)c1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253409622 436844419 /nfs/dbraw/zinc/84/44/19/436844419.db2.gz MCXLRBIYIOBDKH-GOEBONIOSA-N 1 1 330.388 0.909 50 0 ECAAMO Cc1ccc(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)c(C)c1 ZINC000257180232 436856463 /nfs/dbraw/zinc/85/64/63/436856463.db2.gz DIXAZKVUBRNHSP-WBVHZDCISA-N 1 1 345.443 0.829 50 0 ECAAMO Cc1cnn(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)c1 ZINC000257192385 436860216 /nfs/dbraw/zinc/86/02/16/436860216.db2.gz UJOAIEHQURGUFZ-DOTOQJQBSA-N 1 1 343.431 0.586 50 0 ECAAMO Cc1cnn(CCC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)c1 ZINC000257192385 436860220 /nfs/dbraw/zinc/86/02/20/436860220.db2.gz UJOAIEHQURGUFZ-DOTOQJQBSA-N 1 1 343.431 0.586 50 0 ECAAMO Cc1ccc2nc(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cc(=O)n2c1 ZINC000252474636 436832401 /nfs/dbraw/zinc/83/24/01/436832401.db2.gz IQWAJAVCFSQJSO-CABCVRRESA-N 1 1 330.432 0.890 50 0 ECAAMO Cc1cnc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cn1 ZINC000426407473 438056833 /nfs/dbraw/zinc/05/68/33/438056833.db2.gz CPSPMFKMGTUGFD-LBPRGKRZSA-N 1 1 342.403 0.872 50 0 ECAAMO CC(C)NC(=O)CN1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426440222 438060299 /nfs/dbraw/zinc/06/02/99/438060299.db2.gz DUDQMHOJVKILKQ-CYBMUJFWSA-N 1 1 348.451 0.209 50 0 ECAAMO Cc1nc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)n(C)c1C ZINC000426493920 438061895 /nfs/dbraw/zinc/06/18/95/438061895.db2.gz DGBAZXPLVGCUQM-ZDUSSCGKSA-N 1 1 346.435 0.191 50 0 ECAAMO COCc1cc(CNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000426493251 438062538 /nfs/dbraw/zinc/06/25/38/438062538.db2.gz SAQNFESXMOSHPY-GFCCVEGCSA-N 1 1 332.408 0.536 50 0 ECAAMO C[N@H+]1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000408524264 438582426 /nfs/dbraw/zinc/58/24/26/438582426.db2.gz ZCDVCSYZHAISQQ-UHFFFAOYSA-N 1 1 327.450 0.739 50 0 ECAAMO CN1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000408524264 438582427 /nfs/dbraw/zinc/58/24/27/438582427.db2.gz ZCDVCSYZHAISQQ-UHFFFAOYSA-N 1 1 327.450 0.739 50 0 ECAAMO CNC(=O)c1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cn1C ZINC000521394467 439114834 /nfs/dbraw/zinc/11/48/34/439114834.db2.gz OHXRUSSNULNEGG-NWDGAFQWSA-N 1 1 340.449 0.242 50 0 ECAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCO[C@@H](C(=O)N(C)C)C2)CC1 ZINC000534649843 439532316 /nfs/dbraw/zinc/53/23/16/439532316.db2.gz LXVGIRNKTMVVLP-CQSZACIVSA-N 1 1 349.435 0.470 50 0 ECAAMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc2nnc(C(F)F)n2n1 ZINC000585136385 439634392 /nfs/dbraw/zinc/63/43/92/439634392.db2.gz DDCFIADRKIRCHR-UHFFFAOYSA-N 1 1 339.350 0.272 50 0 ECAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(C)C1=O ZINC000230091237 535557182 /nfs/dbraw/zinc/55/71/82/535557182.db2.gz OPFRXUVXVHSFFW-DOMZBBRYSA-N 1 1 344.415 0.421 50 0 ECAAMO CS(=O)(=O)N1CCC[N@H+](CCC(=O)Nc2nccs2)CC1 ZINC000244852630 545935187 /nfs/dbraw/zinc/93/51/87/545935187.db2.gz UVZPHJMMYUIFSR-UHFFFAOYSA-N 1 1 332.451 0.439 50 0 ECAAMO CS(=O)(=O)N1CCC[N@@H+](CCC(=O)Nc2nccs2)CC1 ZINC000244852630 545935189 /nfs/dbraw/zinc/93/51/89/545935189.db2.gz UVZPHJMMYUIFSR-UHFFFAOYSA-N 1 1 332.451 0.439 50 0 ECAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000670452743 548014321 /nfs/dbraw/zinc/01/43/21/548014321.db2.gz GLHPMLHWJTZDAN-MRXNPFEDSA-N 1 1 341.477 0.800 50 0 ECAAMO CC1CCC(N(C)C(=O)C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000585081550 586779403 /nfs/dbraw/zinc/77/94/03/586779403.db2.gz FXNMQUMSHWRWCH-VMBOVVBDSA-N 1 1 335.452 0.752 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CCn2cccn2)C1 ZINC000952962171 612138513 /nfs/dbraw/zinc/13/85/13/612138513.db2.gz ABKGTMMRJQFFRP-HOTGVXAUSA-N 1 1 347.463 0.852 50 0 ECAAMO CSCCN1CCN(C(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000952973909 612138895 /nfs/dbraw/zinc/13/88/95/612138895.db2.gz YWPPVWYVYYVHAS-GASCZTMLSA-N 1 1 329.510 0.993 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000065527093 731766865 /nfs/dbraw/zinc/76/68/65/731766865.db2.gz CHZVMAGCTQBAPQ-VQIMIIECSA-N 1 1 339.443 0.682 50 0 ECAAMO CCN(CC[NH+](C)C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCOCC2)N1 ZINC000675015366 741333745 /nfs/dbraw/zinc/33/37/45/741333745.db2.gz WRWJOQKQHMUNBC-AWEZNQCLSA-N 1 1 335.452 0.340 50 0 ECAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2nnc(C)o2)C1 ZINC000426494496 753137384 /nfs/dbraw/zinc/13/73/84/753137384.db2.gz YPUIMRYETWQMJP-ZDUSSCGKSA-N 1 1 325.413 0.878 50 0 ECAAMO CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055281981 214300035 /nfs/dbraw/zinc/30/00/35/214300035.db2.gz CXCSCCCSNNOACP-CYBMUJFWSA-N 1 1 347.463 0.834 50 0 ECAAMO CN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CC[NH+](C)CC3)C2)nn1 ZINC000225449675 282294471 /nfs/dbraw/zinc/29/44/71/282294471.db2.gz UVUQXBACWFHCHS-CYBMUJFWSA-N 1 1 334.424 0.363 50 0 ECAAMO O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CC[NH2+]C2 ZINC000065375852 214879884 /nfs/dbraw/zinc/87/98/84/214879884.db2.gz HRLFIGROSKFTCT-CQSZACIVSA-N 1 1 339.399 0.517 50 0 ECAAMO COCC(=O)N1CCC[N@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000067587462 215164200 /nfs/dbraw/zinc/16/42/00/215164200.db2.gz QXUGGTUVJWIDHU-UHFFFAOYSA-N 1 1 333.388 0.775 50 0 ECAAMO COCC(=O)N1CCC[N@@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000067587462 215164202 /nfs/dbraw/zinc/16/42/02/215164202.db2.gz QXUGGTUVJWIDHU-UHFFFAOYSA-N 1 1 333.388 0.775 50 0 ECAAMO CCc1[nH+]ccn1CC(=O)N1CCC([C@]2(CC)NC(=O)NC2=O)CC1 ZINC000067654286 215175759 /nfs/dbraw/zinc/17/57/59/215175759.db2.gz HFLWFAWNNHAPCX-KRWDZBQOSA-N 1 1 347.419 0.672 50 0 ECAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000067654605 215176244 /nfs/dbraw/zinc/17/62/44/215176244.db2.gz SFGPLCNSMPRFBG-UHFFFAOYSA-N 1 1 328.376 0.653 50 0 ECAAMO C[N@@H+]1CCO[C@H](CCNC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000067818452 215220346 /nfs/dbraw/zinc/22/03/46/215220346.db2.gz MKGRSWKTNUZBLU-OAHLLOKOSA-N 1 1 332.404 0.667 50 0 ECAAMO C[N@H+]1CCO[C@H](CCNC(=O)c2cccc(N3CCNC3=O)c2)C1 ZINC000067818452 215220348 /nfs/dbraw/zinc/22/03/48/215220348.db2.gz MKGRSWKTNUZBLU-OAHLLOKOSA-N 1 1 332.404 0.667 50 0 ECAAMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(-n3cnnn3)ccc2O)C1 ZINC000067852329 215231033 /nfs/dbraw/zinc/23/10/33/215231033.db2.gz DREHHTJWDJIZMA-GFCCVEGCSA-N 1 1 330.392 0.830 50 0 ECAAMO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3n[nH]c(C)n3)cnn2c1 ZINC000067885291 215240031 /nfs/dbraw/zinc/24/00/31/215240031.db2.gz IHHDONXSSSKJSS-UHFFFAOYSA-N 1 1 342.407 0.928 50 0 ECAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH+]1CC(O)C1 ZINC000067909319 215248458 /nfs/dbraw/zinc/24/84/58/215248458.db2.gz GAINZUSXNFPBRX-INIZCTEOSA-N 1 1 326.343 0.495 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3cccnc3)C2)cn1C ZINC000067954502 215258587 /nfs/dbraw/zinc/25/85/87/215258587.db2.gz KDFGCNMLMYMWEH-OAHLLOKOSA-N 1 1 349.460 0.924 50 0 ECAAMO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)cn1C ZINC000067954502 215258592 /nfs/dbraw/zinc/25/85/92/215258592.db2.gz KDFGCNMLMYMWEH-OAHLLOKOSA-N 1 1 349.460 0.924 50 0 ECAAMO COC(=O)C1=NO[C@H](C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000068389447 215305590 /nfs/dbraw/zinc/30/55/90/215305590.db2.gz CQMNTTYGMFVRPQ-OCCSQVGLSA-N 1 1 341.408 0.167 50 0 ECAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCn1nnc2ccccc2c1=O ZINC000040475367 213311592 /nfs/dbraw/zinc/31/15/92/213311592.db2.gz LTIJTKCGWXOADD-ZDUSSCGKSA-N 1 1 329.404 0.782 50 0 ECAAMO COc1nc2c(cc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1)CCC2 ZINC000072145212 216032891 /nfs/dbraw/zinc/03/28/91/216032891.db2.gz UFTBGVIIPDBOOH-HNNXBMFYSA-N 1 1 344.415 0.272 50 0 ECAAMO Cn1nnc(-c2ccc(NC(=O)CC[NH+]3CCN(C)CC3)cc2)n1 ZINC000072401387 216193869 /nfs/dbraw/zinc/19/38/69/216193869.db2.gz VREULRBWBRWLIB-UHFFFAOYSA-N 1 1 329.408 0.453 50 0 ECAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)c1 ZINC000072425822 216216067 /nfs/dbraw/zinc/21/60/67/216216067.db2.gz LLYQKWJWMADRPG-UHFFFAOYSA-N 1 1 342.399 0.259 50 0 ECAAMO COCCN(C)c1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cn1 ZINC000191416412 239099899 /nfs/dbraw/zinc/09/98/99/239099899.db2.gz XXBRNYOBIJQZMQ-UHFFFAOYSA-N 1 1 343.431 0.816 50 0 ECAAMO COc1ccc(C)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000023006432 212341775 /nfs/dbraw/zinc/34/17/75/212341775.db2.gz DWEKTEIXRHPIIJ-UHFFFAOYSA-N 1 1 335.404 0.781 50 0 ECAAMO C[N@H+]1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1CO ZINC000215859414 241150074 /nfs/dbraw/zinc/15/00/74/241150074.db2.gz GHULRQYBMJDOMH-GOSISDBHSA-N 1 1 349.475 0.506 50 0 ECAAMO CNC(=C[N+](=O)[O-])NCC[S@@](=O)Cc1ccc(C[NH+](C)C)o1 ZINC000021981347 212267393 /nfs/dbraw/zinc/26/73/93/212267393.db2.gz SKHXRNHSZTXSLP-XAYKGCCJSA-N 1 1 330.410 0.475 50 0 in-vitro ECAAMO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229544790 242175181 /nfs/dbraw/zinc/17/51/81/242175181.db2.gz LLSVZXOCOZEKGW-SJLPKXTDSA-N 1 1 347.459 0.585 50 0 ECAAMO C[C@@H]1CN(CC(=O)N2CCOCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229544790 242175185 /nfs/dbraw/zinc/17/51/85/242175185.db2.gz LLSVZXOCOZEKGW-SJLPKXTDSA-N 1 1 347.459 0.585 50 0 ECAAMO CN(C)c1ncc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000242288043 243015726 /nfs/dbraw/zinc/01/57/26/243015726.db2.gz YKPJFIFINJQRNP-UHFFFAOYSA-N 1 1 346.479 0.673 50 0 ECAAMO CN(C)c1ncc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000242288043 243015729 /nfs/dbraw/zinc/01/57/29/243015729.db2.gz YKPJFIFINJQRNP-UHFFFAOYSA-N 1 1 346.479 0.673 50 0 ECAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000244874955 243093922 /nfs/dbraw/zinc/09/39/22/243093922.db2.gz XKCQLCIKGSYWCE-GOSISDBHSA-N 1 1 349.431 0.471 50 0 ECAAMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000019999913 212094038 /nfs/dbraw/zinc/09/40/38/212094038.db2.gz IIZJCETWFGCNLL-UHFFFAOYSA-N 1 1 329.397 0.220 50 0 ECAAMO COc1cc(COC[C@@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000019770998 212063152 /nfs/dbraw/zinc/06/31/52/212063152.db2.gz DHHNIMNDKODRPF-AWEZNQCLSA-N 1 1 341.404 0.922 50 0 ECAAMO NC(=O)c1cc([C@H]2CCC[N@@H+](C[C@@H](O)COCc3ccco3)C2)n[nH]1 ZINC000078900845 217143400 /nfs/dbraw/zinc/14/34/00/217143400.db2.gz DUTGEMSPMUPXEK-QWHCGFSZSA-N 1 1 348.403 0.859 50 0 ECAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cnn(C)c1C)C2 ZINC000091656192 218040536 /nfs/dbraw/zinc/04/05/36/218040536.db2.gz NOCGGDKDIFQGLA-UHFFFAOYSA-N 1 1 346.435 0.594 50 0 ECAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cnn(C)c1C)C2 ZINC000091656192 218040537 /nfs/dbraw/zinc/04/05/37/218040537.db2.gz NOCGGDKDIFQGLA-UHFFFAOYSA-N 1 1 346.435 0.594 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)nc1 ZINC000091736594 218055742 /nfs/dbraw/zinc/05/57/42/218055742.db2.gz CBYNKQBAEFSBJH-HZPDHXFCSA-N 1 1 334.464 0.564 50 0 ECAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)nc1 ZINC000091736594 218055744 /nfs/dbraw/zinc/05/57/44/218055744.db2.gz CBYNKQBAEFSBJH-HZPDHXFCSA-N 1 1 334.464 0.564 50 0 ECAAMO CNc1nc(N2CC[C@]3(C2)CCCN(CCO)C3=O)[nH+]c2c1CCC2 ZINC000091746933 218058128 /nfs/dbraw/zinc/05/81/28/218058128.db2.gz JRNOEJRTAYXTGX-SFHVURJKSA-N 1 1 345.447 0.818 50 0 ECAAMO C[N@H+]1CCN(C(=O)Cc2ccc(CO)cc2)C[C@]12CCNC(=O)CC2 ZINC000091747026 218059487 /nfs/dbraw/zinc/05/94/87/218059487.db2.gz AZKSYDPAPYIGSE-IBGZPJMESA-N 1 1 345.443 0.534 50 0 ECAAMO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)n1 ZINC000091780811 218064875 /nfs/dbraw/zinc/06/48/75/218064875.db2.gz ALIBANYQWBMNKO-GOEBONIOSA-N 1 1 330.432 0.901 50 0 ECAAMO CCC[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000091845922 218076510 /nfs/dbraw/zinc/07/65/10/218076510.db2.gz DZOOOCMIENOOEM-BBRMVZONSA-N 1 1 348.447 0.790 50 0 ECAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2C)C[C@@H]1CO ZINC000091951719 218093463 /nfs/dbraw/zinc/09/34/63/218093463.db2.gz IGLRDPYFYIOEJQ-HUUCEWRRSA-N 1 1 336.432 0.959 50 0 ECAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CO)CC1 ZINC000092064803 218113161 /nfs/dbraw/zinc/11/31/61/218113161.db2.gz CDGIVGGZOKAURY-UHFFFAOYSA-N 1 1 332.408 0.550 50 0 ECAAMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(C)(=O)=O ZINC000010324443 211164382 /nfs/dbraw/zinc/16/43/82/211164382.db2.gz OBMHFCOJKZRUFE-LBPRGKRZSA-N 1 1 337.445 0.785 50 0 ECAAMO CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)nc1 ZINC000095376768 218308937 /nfs/dbraw/zinc/30/89/37/218308937.db2.gz FGGZRVLBDGGAIK-QZTJIDSGSA-N 1 1 332.492 0.932 50 0 ECAAMO CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)nc1 ZINC000095376768 218308939 /nfs/dbraw/zinc/30/89/39/218308939.db2.gz FGGZRVLBDGGAIK-QZTJIDSGSA-N 1 1 332.492 0.932 50 0 ECAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3CCCO ZINC000005148149 210399995 /nfs/dbraw/zinc/39/99/95/210399995.db2.gz BIGPEJZEZJUVKM-UHFFFAOYSA-N 1 1 348.407 0.038 50 0 ECAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(N3CCOCC3)nc1)C2 ZINC000097301327 219011073 /nfs/dbraw/zinc/01/10/73/219011073.db2.gz CBENQIVTMXTDOA-DZGCQCFKSA-N 1 1 331.420 0.479 50 0 ECAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000299781195 258090332 /nfs/dbraw/zinc/09/03/32/258090332.db2.gz VXIGNYVNSBORGO-NSHDSACASA-N 1 1 328.438 0.683 50 0 ECAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1csc(-c2cnccn2)n1 ZINC000299795512 258099588 /nfs/dbraw/zinc/09/95/88/258099588.db2.gz MIHLAXQLXQBREB-ZDUSSCGKSA-N 1 1 347.444 0.716 50 0 ECAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCc1csc(-c2cnccn2)n1 ZINC000299795512 258099589 /nfs/dbraw/zinc/09/95/89/258099589.db2.gz MIHLAXQLXQBREB-ZDUSSCGKSA-N 1 1 347.444 0.716 50 0 ECAAMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCS(N)(=O)=O)c1 ZINC000095395228 258066772 /nfs/dbraw/zinc/06/67/72/258066772.db2.gz MQUMMRLECKWBFH-HNNXBMFYSA-N 1 1 339.461 0.754 50 0 ECAAMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCS(N)(=O)=O)c1 ZINC000095395228 258066773 /nfs/dbraw/zinc/06/67/73/258066773.db2.gz MQUMMRLECKWBFH-HNNXBMFYSA-N 1 1 339.461 0.754 50 0 ECAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1O ZINC000299761622 258078402 /nfs/dbraw/zinc/07/84/02/258078402.db2.gz LZTYIQIHUKAXMF-HZPDHXFCSA-N 1 1 341.477 0.450 50 0 ECAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC[NH2+]C[C@@H]3C)cc21 ZINC000193361122 275766381 /nfs/dbraw/zinc/76/63/81/275766381.db2.gz CHQPXXMERANGSV-LBPRGKRZSA-N 1 1 337.445 0.968 50 0 ECAAMO CC(=O)N1CCOC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000095449068 278049313 /nfs/dbraw/zinc/04/93/13/278049313.db2.gz OLKHHBFVWJNUNF-ZBFHGGJFSA-N 1 1 325.453 0.862 50 0 ECAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000195571666 288145920 /nfs/dbraw/zinc/14/59/20/288145920.db2.gz HWEGKPQSVKSYDZ-RBSFLKMASA-N 1 1 326.485 0.956 50 0 ECAAMO CC[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000084735852 288258152 /nfs/dbraw/zinc/25/81/52/288258152.db2.gz KSGDTLNVTRVGQH-HOTGVXAUSA-N 1 1 337.464 0.958 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)N1CCCC1=O ZINC000069771574 435964290 /nfs/dbraw/zinc/96/42/90/435964290.db2.gz YPYQELIGYFJWPP-HNNXBMFYSA-N 1 1 325.453 0.549 50 0 ECAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000069815295 435968366 /nfs/dbraw/zinc/96/83/66/435968366.db2.gz XFCFWPLJRGQQTJ-AWEZNQCLSA-N 1 1 346.435 0.205 50 0 ECAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000069818802 435969715 /nfs/dbraw/zinc/96/97/15/435969715.db2.gz LFROPIGCHJLQKX-CQSZACIVSA-N 1 1 339.867 0.997 50 0 ECAAMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000069966716 435979038 /nfs/dbraw/zinc/97/90/38/435979038.db2.gz GFQANUPEDWTRLA-UHFFFAOYSA-N 1 1 333.388 0.546 50 0 ECAAMO COC(=O)C(CN1C[C@@H](C)O[C@@H](C)C1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069978991 435979962 /nfs/dbraw/zinc/97/99/62/435979962.db2.gz LEXVGNFFEWQWQU-NMWPEEMBSA-N 1 1 328.453 0.994 50 0 ECAAMO CCN(CC)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000069620192 435951583 /nfs/dbraw/zinc/95/15/83/435951583.db2.gz ATXKEFGGZHRDBA-OAHLLOKOSA-N 1 1 332.514 0.675 50 0 ECAAMO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)C2=O ZINC000069663200 435957761 /nfs/dbraw/zinc/95/77/61/435957761.db2.gz DGFAWMILNRJXKK-JZLYGMAVSA-N 1 1 336.436 0.555 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000071871048 436021320 /nfs/dbraw/zinc/02/13/20/436021320.db2.gz MYRGGFOUQAIVJP-HNNXBMFYSA-N 1 1 345.443 0.948 50 0 ECAAMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 ZINC000071871264 436022107 /nfs/dbraw/zinc/02/21/07/436022107.db2.gz OVEDPNARLSVRQX-ZDUSSCGKSA-N 1 1 329.400 0.677 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(Cc2csc(CC(=O)N(C)C)n2)C[C@@H]1C ZINC000071877511 436023977 /nfs/dbraw/zinc/02/39/77/436023977.db2.gz BJRYVJZLSYPEOI-QWHCGFSZSA-N 1 1 340.493 0.661 50 0 ECAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000071880972 436024542 /nfs/dbraw/zinc/02/45/42/436024542.db2.gz RCFBEWCVCZRMFE-GOEBONIOSA-N 1 1 337.464 0.693 50 0 ECAAMO CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCCO)n(C)c1=O ZINC000010330233 436039122 /nfs/dbraw/zinc/03/91/22/436039122.db2.gz IMAAGWASJQTZBW-NSHDSACASA-N 1 1 348.407 0.446 50 0 ECAAMO Cc1nc(CCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)nc2c1CCCC2 ZINC000072473215 436045408 /nfs/dbraw/zinc/04/54/08/436045408.db2.gz NFSNVPXUFFZKFE-KRWDZBQOSA-N 1 1 340.431 0.933 50 0 ECAAMO Cn1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000012796895 436057867 /nfs/dbraw/zinc/05/78/67/436057867.db2.gz RCTAZPYEODIVIS-RMKNXTFCSA-N 1 1 341.415 0.314 50 0 ECAAMO O[C@@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCC2)C1 ZINC000014948307 436075147 /nfs/dbraw/zinc/07/51/47/436075147.db2.gz AZPDGQIESIHJPF-LLVKDONJSA-N 1 1 333.396 0.482 50 0 ECAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)N4CCCC4)n3n2)CC1 ZINC000015678751 436083410 /nfs/dbraw/zinc/08/34/10/436083410.db2.gz DIFHJUFXOFPUIG-UHFFFAOYSA-N 1 1 343.435 0.431 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccccc1 ZINC000016444723 436091307 /nfs/dbraw/zinc/09/13/07/436091307.db2.gz FTUJDHZUQKFBBB-LLVKDONJSA-N 1 1 330.388 0.369 50 0 ECAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccccc1 ZINC000016444723 436091313 /nfs/dbraw/zinc/09/13/13/436091313.db2.gz FTUJDHZUQKFBBB-LLVKDONJSA-N 1 1 330.388 0.369 50 0 ECAAMO Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2N1CCCC1 ZINC000021929567 436116814 /nfs/dbraw/zinc/11/68/14/436116814.db2.gz BTHRMEXSCKAMEY-UHFFFAOYSA-N 1 1 331.424 0.078 50 0 ECAAMO C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408145 436235190 /nfs/dbraw/zinc/23/51/90/436235190.db2.gz CSKDTLSUUWWHAF-CYBMUJFWSA-N 1 1 328.420 0.413 50 0 ECAAMO O=C(NCC[NH2+]C[C@]1(O)CNCCOC1)c1ccccc1Cl ZINC000077505759 436240222 /nfs/dbraw/zinc/24/02/22/436240222.db2.gz OQVIXGBZGZORFF-HNNXBMFYSA-N 1 1 327.812 0.010 50 0 ECAAMO CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC000076055825 436189590 /nfs/dbraw/zinc/18/95/90/436189590.db2.gz YUMWZDKTLOFIDU-PBHICJAKSA-N 1 1 332.448 0.370 50 0 ECAAMO C[C@H]1CN(C(=O)CCCNc2ncccn2)C[C@H]1[NH+]1CCOCC1 ZINC000076053512 436189779 /nfs/dbraw/zinc/18/97/79/436189779.db2.gz NWFSOUCIBMYFDE-LSDHHAIUSA-N 1 1 333.436 0.848 50 0 ECAAMO CCn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000076064281 436190905 /nfs/dbraw/zinc/19/09/05/436190905.db2.gz CRNVFGAAYOKHHB-CABCVRRESA-N 1 1 337.420 0.178 50 0 ECAAMO CC(C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[NH+](C)CC1 ZINC000032816913 436245600 /nfs/dbraw/zinc/24/56/00/436245600.db2.gz DHNNQMUDCWLSEQ-MRXNPFEDSA-N 1 1 330.432 0.962 50 0 ECAAMO C[C@H](C(=O)NCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1cncn1 ZINC000044934195 436353852 /nfs/dbraw/zinc/35/38/52/436353852.db2.gz CNMRWJZLYDPXJW-NVXWUHKLSA-N 1 1 342.447 0.944 50 0 ECAAMO CS(=O)(=O)N1CCCn2nc(CNc3cc[nH+]c(N)n3)cc2C1 ZINC000082161061 436362999 /nfs/dbraw/zinc/36/29/99/436362999.db2.gz ZQXYXNFWSRHDQV-UHFFFAOYSA-N 1 1 337.409 0.033 50 0 ECAAMO CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000045406856 436366335 /nfs/dbraw/zinc/36/63/35/436366335.db2.gz MHRIKOLLEVOBII-ZIAGYGMSSA-N 1 1 344.481 0.336 50 0 ECAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)N1CCCOCC1 ZINC000084290800 436378914 /nfs/dbraw/zinc/37/89/14/436378914.db2.gz JMFURRCBMMRWNW-AWEZNQCLSA-N 1 1 328.438 0.623 50 0 ECAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000046140899 436387362 /nfs/dbraw/zinc/38/73/62/436387362.db2.gz NEGXJZNEOKUOJG-UHFFFAOYSA-N 1 1 339.461 0.692 50 0 ECAAMO C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000046955185 436405373 /nfs/dbraw/zinc/40/53/73/436405373.db2.gz PIGHNBUNNSXLHZ-KGLIPLIRSA-N 1 1 345.509 0.895 50 0 ECAAMO CCn1c(C)nnc1CN(C)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089300486 436407647 /nfs/dbraw/zinc/40/76/47/436407647.db2.gz LGAKRHVQENBEHS-HOTGVXAUSA-N 1 1 347.467 0.370 50 0 ECAAMO C[C@@H](CNC(=O)NCCNc1cnccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000044971288 436358925 /nfs/dbraw/zinc/35/89/25/436358925.db2.gz IAOQKJVCYIAACI-BFHYXJOUSA-N 1 1 336.440 0.685 50 0 ECAAMO CN(C)c1cc(C(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)ccn1 ZINC000047852507 436431248 /nfs/dbraw/zinc/43/12/48/436431248.db2.gz YFQPDAQHPBXNKK-HZPDHXFCSA-N 1 1 348.447 0.615 50 0 ECAAMO CC(C)[C@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@@H]1NS(C)(=O)=O ZINC000092038450 436467096 /nfs/dbraw/zinc/46/70/96/436467096.db2.gz ZZCFPRZFAAFDPL-CABCVRRESA-N 1 1 347.525 0.603 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccc(OC)cc2)C[N@@H+]1C ZINC000096138533 436516061 /nfs/dbraw/zinc/51/60/61/436516061.db2.gz PMRSLCOLOUYKJL-HOCLYGCPSA-N 1 1 333.432 0.953 50 0 ECAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccc(OC)cc2)C[N@H+]1C ZINC000096138533 436516066 /nfs/dbraw/zinc/51/60/66/436516066.db2.gz PMRSLCOLOUYKJL-HOCLYGCPSA-N 1 1 333.432 0.953 50 0 ECAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095521414 436497411 /nfs/dbraw/zinc/49/74/11/436497411.db2.gz PMXASFCSUHWYEJ-LBPRGKRZSA-N 1 1 328.438 0.671 50 0 ECAAMO Cc1nonc1OCC[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095503902 436498818 /nfs/dbraw/zinc/49/88/18/436498818.db2.gz KSOICGMDFAIULK-UHFFFAOYSA-N 1 1 344.379 0.682 50 0 ECAAMO COCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000096279828 436530735 /nfs/dbraw/zinc/53/07/35/436530735.db2.gz QTDNIWUOXFRBRH-DLBZAZTESA-N 1 1 345.443 0.649 50 0 ECAAMO Cn1cc(N2CCC[C@@H](NC(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)cn1 ZINC000097031954 436536643 /nfs/dbraw/zinc/53/66/43/436536643.db2.gz QVGWBVBDNNPSQW-ZIAGYGMSSA-N 1 1 337.493 0.942 50 0 ECAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)NC(N)=O)C2)n1 ZINC000058343109 436624013 /nfs/dbraw/zinc/62/40/13/436624013.db2.gz RXWNMAOMFIDISW-LBPRGKRZSA-N 1 1 333.392 0.626 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccccc3)C[C@@H]2C)CC1 ZINC000107142597 436607899 /nfs/dbraw/zinc/60/78/99/436607899.db2.gz VMOAYEMXAJVRJE-BMGDILEWSA-N 1 1 344.459 0.697 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]2C)CC1 ZINC000107058374 436608671 /nfs/dbraw/zinc/60/86/71/436608671.db2.gz DRSCLXJZJKUQKN-RHSMWYFYSA-N 1 1 348.447 0.380 50 0 ECAAMO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]2C)CC1 ZINC000107058374 436608672 /nfs/dbraw/zinc/60/86/72/436608672.db2.gz DRSCLXJZJKUQKN-RHSMWYFYSA-N 1 1 348.447 0.380 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1C ZINC000107503242 436611894 /nfs/dbraw/zinc/61/18/94/436611894.db2.gz UOFCPMPHPIMIMV-DOTOQJQBSA-N 1 1 342.447 0.856 50 0 ECAAMO Cc1nnc(CN(C)[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)n1C ZINC000107503242 436611896 /nfs/dbraw/zinc/61/18/96/436611896.db2.gz UOFCPMPHPIMIMV-DOTOQJQBSA-N 1 1 342.447 0.856 50 0 ECAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 ZINC000065375424 436656502 /nfs/dbraw/zinc/65/65/02/436656502.db2.gz GVQNGRMYCHXAKT-RDTXWAMCSA-N 1 1 343.406 0.779 50 0 ECAAMO CCCn1cc(S(=O)(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cn1 ZINC000223100151 436704688 /nfs/dbraw/zinc/70/46/88/436704688.db2.gz OXGNSXUZUBWAHQ-XJFOESAGSA-N 1 1 328.438 0.289 50 0 ECAAMO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@@H]2CO)CCCN1Cc1ccc(F)cc1F ZINC000225548961 436712091 /nfs/dbraw/zinc/71/20/91/436712091.db2.gz YSWNJXUVGRFLFN-IIAWOOMASA-N 1 1 340.370 0.883 50 0 ECAAMO C[NH+](C)[C@H](CNC(=O)NC1CCN(CC(N)=O)CC1)c1ccco1 ZINC000065437424 436660890 /nfs/dbraw/zinc/66/08/90/436660890.db2.gz NPEPCVVZTUBGQP-CYBMUJFWSA-N 1 1 337.424 0.131 50 0 ECAAMO C[N@H+]1CCC[C@H](C(=O)NCc2nnc3ccc(N4CCCC4)nn32)C1 ZINC000238886852 436758356 /nfs/dbraw/zinc/75/83/56/436758356.db2.gz QDHXSMGCBQPOSZ-ZDUSSCGKSA-N 1 1 343.435 0.683 50 0 ECAAMO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000241440017 436758957 /nfs/dbraw/zinc/75/89/57/436758957.db2.gz NOLBCJVDJKNZGO-TUVASFSCSA-N 1 1 325.453 0.844 50 0 ECAAMO CN(CCc1ccccn1)C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000240936847 436759393 /nfs/dbraw/zinc/75/93/93/436759393.db2.gz SETWNHMTXCONRS-OAHLLOKOSA-N 1 1 339.461 0.592 50 0 ECAAMO CN(CCc1ccccn1)C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000240936847 436759394 /nfs/dbraw/zinc/75/93/94/436759394.db2.gz SETWNHMTXCONRS-OAHLLOKOSA-N 1 1 339.461 0.592 50 0 ECAAMO CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000229828014 436716904 /nfs/dbraw/zinc/71/69/04/436716904.db2.gz JGVIHXYRPDACOE-OAGGEKHMSA-N 1 1 326.437 0.751 50 0 ECAAMO CC(=O)N1CCCN([C@@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC000229918442 436716908 /nfs/dbraw/zinc/71/69/08/436716908.db2.gz SFEPEFBKGCLGLF-GOEBONIOSA-N 1 1 345.509 0.296 50 0 ECAAMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)o1 ZINC000069484942 436775643 /nfs/dbraw/zinc/77/56/43/436775643.db2.gz HPJKYWIAXQMVLG-RYUDHWBXSA-N 1 1 341.433 0.887 50 0 ECAAMO COc1ccc(CN2CCC([N@@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257192029 436860385 /nfs/dbraw/zinc/86/03/85/436860385.db2.gz QEJVWSABWLKDHL-WBVHZDCISA-N 1 1 333.432 0.580 50 0 ECAAMO COc1ccc(CN2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257192029 436860389 /nfs/dbraw/zinc/86/03/89/436860389.db2.gz QEJVWSABWLKDHL-WBVHZDCISA-N 1 1 333.432 0.580 50 0 ECAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000252481610 436834523 /nfs/dbraw/zinc/83/45/23/436834523.db2.gz CPBYFEHMGVXXOZ-QGZVFWFLSA-N 1 1 335.404 0.323 50 0 ECAAMO CC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000257365087 436877589 /nfs/dbraw/zinc/87/75/89/436877589.db2.gz RFUVTMZOXQQDNN-SNPRPXQTSA-N 1 1 329.466 0.496 50 0 ECAAMO C[C@@H](O)C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000170601558 436946556 /nfs/dbraw/zinc/94/65/56/436946556.db2.gz VLMBDXXNKVAYBF-HUUCEWRRSA-N 1 1 341.477 0.352 50 0 ECAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3COCCN3CC)CC2)cn1 ZINC000328969761 437295268 /nfs/dbraw/zinc/29/52/68/437295268.db2.gz AXAKYMHBQNDJBZ-QGZVFWFLSA-N 1 1 349.479 0.658 50 0 ECAAMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3COCCN3CC)CC2)cn1 ZINC000328969761 437295273 /nfs/dbraw/zinc/29/52/73/437295273.db2.gz AXAKYMHBQNDJBZ-QGZVFWFLSA-N 1 1 349.479 0.658 50 0 ECAAMO CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(OC)c(OCC[NH3+])c1 ZINC000426612626 438068577 /nfs/dbraw/zinc/06/85/77/438068577.db2.gz SROXKFYWKKKUEG-BBRMVZONSA-N 1 1 337.420 0.482 50 0 ECAAMO CC[C@@H]1CN(C(=O)C2=NN(CC)C(=O)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735687 545712903 /nfs/dbraw/zinc/71/29/03/545712903.db2.gz TTWIZJDLVSYKRA-HIFRSBDPSA-N 1 1 336.436 0.554 50 0 ECAAMO CC[N@H+](CC(=O)NCc1ccc(NC(C)=O)cc1)[C@H]1COC[C@@H]1O ZINC000244795169 545936039 /nfs/dbraw/zinc/93/60/39/545936039.db2.gz RAVFKDHQRMUHKN-HOTGVXAUSA-N 1 1 335.404 0.343 50 0 ECAAMO CC[N@@H+](CC(=O)NCc1ccc(NC(C)=O)cc1)[C@H]1COC[C@@H]1O ZINC000244795169 545936040 /nfs/dbraw/zinc/93/60/40/545936040.db2.gz RAVFKDHQRMUHKN-HOTGVXAUSA-N 1 1 335.404 0.343 50 0 ECAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1-n1cncn1 ZINC000670436149 548010779 /nfs/dbraw/zinc/01/07/79/548010779.db2.gz TVGMJOPDMIQYJO-CQSZACIVSA-N 1 1 329.404 0.844 50 0 ECAAMO CC(C)n1nccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000670451822 548014062 /nfs/dbraw/zinc/01/40/62/548014062.db2.gz FUXZMJWYWNYFSD-ZDUSSCGKSA-N 1 1 330.454 0.589 50 0 ECAAMO CC(C)CC[N@H+]1C[C@@H]2C(=O)N(CCCN3CCCC3=O)C(=O)[C@@H]2C1 ZINC000169752216 609745035 /nfs/dbraw/zinc/74/50/35/609745035.db2.gz NPWKXVGWYKKDIM-GASCZTMLSA-N 1 1 335.448 0.962 50 0 ECAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2C1=O ZINC000169764513 609745420 /nfs/dbraw/zinc/74/54/20/609745420.db2.gz ZGEFGZMXJMXERS-IYBDPMFKSA-N 1 1 348.399 0.767 50 0 ECAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCCn2ncc3ccccc32)C1 ZINC000952987996 612140316 /nfs/dbraw/zinc/14/03/16/612140316.db2.gz PQPIFXAGWPFODP-HNNXBMFYSA-N 1 1 343.431 0.740 50 0 ECAAMO O=S1(=O)C[C@H](O)[C@@H](N2CC[NH+](C[C@@H]3CCC=CCCC3)CC2)C1 ZINC000952992836 612140885 /nfs/dbraw/zinc/14/08/85/612140885.db2.gz SEGPOBYWWCEITN-IKGGRYGDSA-N 1 1 342.505 0.898 50 0 ECAAMO